#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m1f s GLU 2 N 0.00 3.45 0.20 2.12 0.41 -1.26 -3.72 118.70 119.91 1m1f s GLU 2 Ca 0.00 -0.38 -0.32 0.00 -0.41 0.00 0.00 54.97 53.86 1m1f s GLU 2 Cb 0.00 -3.04 -0.14 0.00 -1.78 0.00 0.00 34.13 29.17 1m1f s GLU 2 CO 0.00 0.62 1.39 -2.13 -0.49 0.00 0.00 175.26 174.65 1m1f n ARG 3 N 0.46 1.85 -0.02 1.61 0.63 -1.16 -2.27 116.66 117.76 1m1f n ARG 3 Ca -0.06 0.66 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 1m1f n ARG 3 Cb 0.51 -2.31 0.00 0.00 0.45 0.00 0.00 32.46 31.11 1m1f n ARG 3 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1m1f n GLY 4 N 2.37 0.29 3.77 5.14 0.00 -0.28 -4.99 105.19 111.49 1m1f n GLY 4 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1m1f n GLY 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m1f s GLU 5 N -0.94 4.65 -0.21 1.61 2.02 -0.96 -0.87 118.70 124.00 1m1f s GLU 5 Ca 0.00 1.27 -0.10 0.00 0.02 0.00 0.00 54.97 56.15 1m1f s GLU 5 Cb 0.00 -3.22 -0.05 0.00 0.10 0.00 0.00 34.13 30.96 1m1f s GLU 5 CO 0.00 0.53 0.15 0.42 0.02 0.00 0.00 175.26 176.38 1m1f s ILE 6 N -1.21 5.39 0.02 -1.63 1.01 0.22 -0.83 121.20 124.16 1m1f s ILE 6 Ca 0.39 0.21 0.07 0.00 0.00 0.00 0.00 60.65 61.32 1m1f s ILE 6 Cb -0.23 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 1m1f s ILE 6 CO 0.28 0.41 -0.21 0.26 0.00 0.00 0.00 174.94 175.68 1m1f s TRP 7 N 0.55 1.88 -0.19 3.97 0.52 0.07 -0.20 118.94 125.55 1m1f s TRP 7 Ca 0.08 -0.37 -0.18 0.00 0.02 0.00 0.00 56.10 55.65 1m1f s TRP 7 Cb -0.12 -1.17 -0.03 0.00 -1.15 0.00 0.00 33.47 31.00 1m1f s TRP 7 CO 0.00 0.04 0.51 -1.17 0.02 0.00 0.00 176.95 176.35 1m1f s LEU 8 N -0.86 4.16 -0.07 2.99 2.96 0.46 -0.40 118.68 127.91 1m1f s LEU 8 Ca 0.08 0.68 -0.19 0.00 -0.22 0.00 0.00 54.13 54.48 1m1f s LEU 8 Cb -0.09 -2.70 0.04 0.00 0.50 0.00 0.00 46.19 43.95 1m1f s LEU 8 CO 0.01 -0.16 0.44 0.54 -1.32 0.00 0.00 176.35 175.85 1m1f s VAL 9 N 1.55 0.03 -0.14 1.68 0.11 -0.75 -1.17 120.40 121.70 1m1f s VAL 9 Ca 0.24 -0.23 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 1m1f s VAL 9 Cb -0.15 -0.72 -0.01 0.00 -1.53 0.00 0.00 36.38 33.96 1m1f s VAL 9 CO 0.10 -0.13 1.19 -0.55 -3.33 0.00 0.00 175.10 172.38 1m1f s SER 10 N -0.88 7.02 0.00 3.54 0.15 -1.26 -1.71 113.70 120.56 1m1f s SER 10 Ca -0.09 1.65 0.25 0.00 0.70 0.00 0.00 55.95 58.46 1m1f s SER 10 Cb -0.03 -2.54 0.48 0.00 -1.71 0.00 0.00 66.02 62.21 1m1f s SER 10 CO 0.05 -0.68 1.39 0.18 1.20 0.00 0.00 173.24 175.38 1m1f n LEU 11 N 6.08 0.66 -4.84 3.45 4.77 -0.17 -4.95 117.00 121.99 1m1f n LEU 11 Ca 0.12 -0.10 -0.31 0.00 -0.03 0.00 0.00 56.01 55.69 1m1f n LEU 11 Cb 0.46 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1m1f n LEU 11 CO 0.55 0.15 0.71 -1.81 -1.33 0.00 0.00 177.39 175.66 1m1f s ASP 12 N -2.91 5.84 0.38 -1.43 1.01 -1.26 -4.42 116.67 113.88 1m1f s ASP 12 Ca 0.13 1.54 -0.15 0.00 0.71 0.00 0.00 52.55 54.78 1m1f s ASP 12 Cb 0.18 -2.49 -0.09 0.00 1.01 0.00 0.00 42.92 41.53 1m1f s ASP 12 CO 0.68 -1.13 0.81 -2.84 0.21 0.00 0.00 175.17 172.90 1m1f s PRO 13 N -4.99 4.00 0.30 8.23 0.02 -1.26 -5.07 135.00 136.23 1m1f s PRO 13 Ca 0.57 0.75 0.03 0.00 0.02 0.00 0.00 61.00 62.37 1m1f s PRO 13 Cb -0.13 -2.34 -0.05 0.00 0.02 0.00 0.00 34.50 32.01 1m1f s PRO 13 CO 0.52 0.04 0.11 0.95 -0.33 0.00 0.00 177.00 178.29 1m1f s THR 14 N -2.16 0.59 0.01 0.99 -4.23 -1.26 -5.14 115.64 104.44 1m1f s THR 14 Ca 0.56 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.12 1m1f s THR 14 Cb -0.10 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.12 1m1f s THR 14 CO 0.20 0.00 -0.14 0.00 -0.54 0.00 0.00 174.62 174.15 1m1f s ALA 15 N -3.57 2.74 0.00 3.99 0.00 -1.26 -4.99 121.76 118.67 1m1f s ALA 15 Ca 0.35 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1m1f s ALA 15 Cb 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1m1f s ALA 15 CO 0.15 0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.91 1m1f n GLY 16 N 1.68 3.27 0.27 0.00 0.00 -1.26 -1.51 105.19 107.64 1m1f n GLY 16 Ca -0.16 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.08 1m1f n GLY 16 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1m1f n HIS 17 N 14.00 0.07 -1.79 1.61 8.25 -1.26 -4.88 115.22 131.22 1m1f n HIS 17 Ca 0.00 -0.03 -0.38 0.00 -0.26 0.00 0.00 57.72 57.04 1m1f n HIS 17 Cb 0.00 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.15 1m1f n HIS 17 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1m1f s GLU 18 N -1.93 3.16 0.61 -0.41 2.02 -0.57 -4.93 118.70 116.65 1m1f s GLU 18 Ca 0.35 2.23 -0.19 0.00 0.02 0.00 0.00 54.97 57.37 1m1f s GLU 18 Cb 0.17 -2.26 -0.03 0.00 0.10 0.00 0.00 34.13 32.11 1m1f s GLU 18 CO 0.28 -1.17 1.27 1.04 0.02 0.00 0.00 175.26 176.69 1m1f n GLN 19 N -1.01 1.25 -4.38 1.61 1.13 -1.26 -4.76 117.38 109.96 1m1f n GLN 19 Ca 0.10 0.48 -0.21 0.00 -1.94 0.00 0.00 57.00 55.43 1m1f n GLN 19 Cb 0.45 -2.49 -0.08 0.00 0.11 0.00 0.00 30.24 28.22 1m1f n GLN 19 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1m1f s GLN 20 N -3.14 1.77 0.04 -1.09 -2.07 -1.26 -4.77 119.66 109.15 1m1f s GLN 20 Ca 0.79 -2.05 0.00 0.00 -1.82 0.00 0.00 55.36 52.28 1m1f s GLN 20 Cb -0.40 -0.12 0.00 0.00 -1.09 0.00 0.00 33.01 31.40 1m1f s GLN 20 CO 0.44 -0.54 0.00 0.41 -1.32 0.00 0.00 175.29 174.28 1m1f n GLY 21 N -0.71 -2.87 3.53 2.60 0.00 -1.26 -4.80 105.19 101.68 1m1f n GLY 21 Ca 0.01 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 1m1f n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m1f s THR 22 N -0.94 5.23 0.21 2.61 2.01 -1.26 -1.00 115.64 122.49 1m1f s THR 22 Ca 0.00 -0.13 -0.13 0.00 0.31 0.00 0.00 61.69 61.74 1m1f s THR 22 Cb 0.00 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.73 1m1f s THR 22 CO 0.00 -0.08 0.44 0.00 -0.69 0.00 0.00 174.62 174.29 1m1f s ARG 23 N 1.86 1.38 0.39 4.92 1.70 -0.69 -4.89 118.95 123.62 1m1f s ARG 23 Ca 0.09 -1.11 -0.26 0.00 -0.47 0.00 0.00 55.73 53.98 1m1f s ARG 23 Cb -0.17 0.46 -0.09 0.00 -0.57 0.00 0.00 34.95 34.58 1m1f s ARG 23 CO 0.11 -0.56 1.21 -2.14 -1.08 0.00 0.00 175.30 172.83 1m1f s PRO 24 N -3.96 4.10 0.06 3.89 0.02 -1.26 -1.81 135.00 136.04 1m1f s PRO 24 Ca 0.17 1.94 0.03 0.00 0.02 0.00 0.00 61.00 63.15 1m1f s PRO 24 Cb 0.00 -2.76 -0.03 0.00 0.02 0.00 0.00 34.50 31.73 1m1f s PRO 24 CO 0.03 -0.31 -0.09 0.14 -0.33 0.00 0.00 177.00 176.44 1m1f s VAL 25 N -1.34 0.69 -0.19 3.83 -7.23 0.46 -1.19 120.40 115.43 1m1f s VAL 25 Ca 0.55 -1.27 -0.06 0.00 -1.81 0.00 0.00 61.98 59.39 1m1f s VAL 25 Cb -0.33 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 1m1f s VAL 25 CO 0.42 -0.43 0.03 -0.22 -0.31 0.00 0.00 175.10 174.59 1m1f s LEU 26 N -1.86 3.53 -0.01 1.32 2.96 0.29 -0.75 118.68 124.16 1m1f s LEU 26 Ca -0.05 -0.07 -0.30 0.00 -0.22 0.00 0.00 54.13 53.50 1m1f s LEU 26 Cb -0.08 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1m1f s LEU 26 CO 0.00 0.11 1.14 -0.63 -1.32 0.00 0.00 176.35 175.65 1m1f s ILE 27 N 0.72 4.36 -0.19 6.68 1.01 -0.01 -1.23 121.20 132.54 1m1f s ILE 27 Ca 0.02 1.68 0.17 0.00 0.00 0.00 0.00 60.65 62.52 1m1f s ILE 27 Cb -0.14 -4.08 -0.25 0.00 0.01 0.00 0.00 42.46 38.01 1m1f s ILE 27 CO 0.02 0.07 0.12 0.52 0.00 0.00 0.00 174.94 175.67 1m1f n VAL 28 N 4.25 1.42 -3.16 2.92 0.31 0.08 -1.12 118.33 123.02 1m1f n VAL 28 Ca 0.09 -0.85 -0.30 0.00 -0.01 0.00 0.00 64.34 63.28 1m1f n VAL 28 Cb 0.47 -0.55 -0.04 0.00 -0.91 0.00 0.00 33.84 32.82 1m1f n VAL 28 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1m1f s THR 29 N -2.50 4.89 0.77 2.52 -4.23 -1.22 -4.83 115.64 111.04 1m1f s THR 29 Ca -0.10 0.40 -0.11 0.00 -1.18 0.00 0.00 61.69 60.70 1m1f s THR 29 Cb 0.06 -3.70 0.05 0.00 1.34 0.00 0.00 72.50 70.25 1m1f s THR 29 CO 0.82 -0.34 1.08 -2.84 -0.54 0.00 0.00 174.62 172.81 1m1f s PRO 30 N -3.49 2.34 0.22 3.99 0.02 -1.26 -2.99 135.00 133.83 1m1f s PRO 30 Ca 0.48 0.81 -0.08 0.00 0.02 0.00 0.00 61.00 62.23 1m1f s PRO 30 Cb -0.11 -1.93 0.34 0.00 0.02 0.00 0.00 34.50 32.82 1m1f s PRO 30 CO 0.28 -1.49 1.72 0.00 -0.33 0.00 0.00 177.00 177.18 1m1f h ALA 31 N -1.00 0.84 -0.27 -1.55 0.00 -1.92 -0.40 119.26 114.95 1m1f h ALA 31 Ca -0.46 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1m1f h ALA 31 Cb 1.25 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1m1f h ALA 31 CO 0.57 -0.25 0.10 0.00 0.00 0.00 0.00 179.25 179.67 1m1f h ALA 32 N 1.49 0.35 -0.59 0.00 0.00 -1.93 -0.42 119.26 118.17 1m1f h ALA 32 Ca 0.34 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1m1f h ALA 32 Cb 0.50 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1m1f h ALA 32 CO -0.38 -0.03 0.30 0.35 0.00 0.00 0.00 179.25 179.48 1m1f h PHE 33 N 0.28 0.54 -0.47 0.00 3.04 -1.82 -0.70 116.94 117.81 1m1f h PHE 33 Ca 0.09 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.99 1m1f h PHE 33 Cb 0.21 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.54 1m1f h PHE 33 CO -0.00 0.24 0.01 -0.91 -2.02 0.00 0.00 178.31 175.63 1m1f h ASN 34 N 0.55 0.73 -0.01 0.41 2.35 -0.61 -1.33 115.58 117.68 1m1f h ASN 34 Ca 0.27 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1m1f h ASN 34 Cb 0.20 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1m1f h ASN 34 CO -0.19 0.80 -0.00 -0.09 -1.65 0.00 0.00 177.43 176.29 1m1f h ARG 35 N 0.72 0.02 -0.37 0.81 2.43 -0.68 -0.24 114.38 117.07 1m1f h ARG 35 Ca 0.14 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1m1f h ARG 35 Cb 0.43 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1m1f h ARG 35 CO 0.02 0.38 0.21 0.28 -1.51 0.00 0.00 179.97 179.35 1m1f h VAL 36 N -0.35 1.14 0.00 0.20 2.07 -0.98 -3.28 116.25 115.05 1m1f h VAL 36 Ca 0.00 -0.36 -0.22 0.00 0.82 0.00 0.00 66.70 66.94 1m1f h VAL 36 Cb 0.38 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1m1f h VAL 36 CO 0.00 0.14 -1.41 0.71 0.02 0.00 0.00 177.57 177.04 1m1f h THR 37 N 0.48 0.82 -0.68 2.57 1.35 -1.31 -3.48 112.91 112.66 1m1f h THR 37 Ca 0.13 -2.48 -0.29 0.00 -0.55 0.00 0.00 66.41 63.22 1m1f h THR 37 Cb 0.05 2.32 -0.11 0.00 -1.73 0.00 0.00 68.15 68.68 1m1f h THR 37 CO -0.02 0.47 -0.26 -2.11 -0.25 0.00 0.00 175.52 173.34 1m1f n ARG 38 N -3.04 -1.35 -3.24 4.72 0.00 -0.10 -4.91 116.66 108.74 1m1f n ARG 38 Ca -0.10 0.99 -0.25 0.00 -0.00 0.00 0.00 57.85 58.48 1m1f n ARG 38 Cb 0.93 -5.25 -0.08 0.00 -0.00 0.00 0.00 32.46 28.06 1m1f n ARG 38 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1m1f n LEU 39 N -1.62 0.33 -4.73 2.89 4.77 -1.26 -4.31 117.00 113.07 1m1f n LEU 39 Ca -0.14 -4.70 -0.36 0.00 -0.03 0.00 0.00 56.01 50.78 1m1f n LEU 39 Cb 0.56 0.53 0.07 0.00 -2.33 0.00 0.00 43.42 42.24 1m1f n LEU 39 CO 0.22 2.04 0.86 -2.16 -1.33 0.00 0.00 177.39 177.01 1m1f s PRO 40 N -1.08 2.54 -0.11 3.23 0.04 -1.15 -4.55 135.00 133.92 1m1f s PRO 40 Ca 0.35 1.92 -0.17 0.00 0.04 0.00 0.00 61.00 63.14 1m1f s PRO 40 Cb 0.15 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.78 1m1f s PRO 40 CO -0.12 -1.57 0.44 0.08 0.04 0.00 0.00 177.00 175.87 1m1f s VAL 41 N -1.61 5.18 0.15 -0.36 1.01 -1.26 -1.51 120.40 122.00 1m1f s VAL 41 Ca 0.79 0.88 0.06 0.00 0.00 0.00 0.00 61.98 63.70 1m1f s VAL 41 Cb -0.33 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1m1f s VAL 41 CO 0.40 0.37 -0.12 0.68 0.00 0.00 0.00 175.10 176.42 1m1f s VAL 42 N 0.35 1.35 -0.02 2.92 -7.23 -0.07 -0.74 120.40 116.96 1m1f s VAL 42 Ca 0.24 -1.96 0.07 0.00 -1.81 0.00 0.00 61.98 58.52 1m1f s VAL 42 Cb -0.15 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 1m1f s VAL 42 CO 0.10 -0.59 -0.24 0.68 -0.31 0.00 0.00 175.10 174.73 1m1f s VAL 43 N -2.80 1.93 0.43 1.32 -7.23 -0.37 -0.72 120.40 112.96 1m1f s VAL 43 Ca 0.15 -1.04 -0.15 0.00 -1.81 0.00 0.00 61.98 59.13 1m1f s VAL 43 Cb -0.01 -1.61 -0.08 0.00 0.56 0.00 0.00 36.38 35.24 1m1f s VAL 43 CO 0.03 0.55 0.86 -2.16 -0.31 0.00 0.00 175.10 174.07 1m1f s PRO 44 N -0.51 3.94 -0.18 4.82 0.04 -1.26 -0.55 135.00 141.31 1m1f s PRO 44 Ca 0.07 0.77 -0.08 0.00 0.04 0.00 0.00 61.00 61.80 1m1f s PRO 44 Cb -0.10 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1m1f s PRO 44 CO -0.00 -0.08 0.08 0.08 0.04 0.00 0.00 177.00 177.12 1m1f s VAL 45 N -2.36 5.00 0.30 -0.36 1.01 -0.33 -1.11 120.40 122.56 1m1f s VAL 45 Ca 0.56 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.64 1m1f s VAL 45 Cb -0.10 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 1m1f s VAL 45 CO 0.26 0.48 -0.04 0.42 0.00 0.00 0.00 175.10 176.22 1m1f s THR 46 N 0.17 1.60 -0.20 3.92 -4.23 -0.24 -4.60 115.64 112.07 1m1f s THR 46 Ca 0.06 -2.10 -0.29 0.00 -1.18 0.00 0.00 61.69 58.18 1m1f s THR 46 Cb -0.12 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 1m1f s THR 46 CO -0.00 -0.23 1.63 -0.94 -0.54 0.00 0.00 174.62 174.54 1m1f s SER 47 N -3.47 6.40 0.26 3.99 1.04 -1.26 -0.71 113.70 119.95 1m1f s SER 47 Ca 0.31 1.72 -0.12 0.00 0.48 0.00 0.00 55.95 58.34 1m1f s SER 47 Cb 0.05 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.55 1m1f s SER 47 CO 0.13 -1.22 -0.00 -2.11 0.98 0.00 0.00 173.24 171.01 1m1f n ARG 53 N 7.60 0.00 -1.71 4.02 -4.01 -1.26 -4.39 116.66 116.90 1m1f n ARG 53 Ca 0.19 0.00 -0.43 0.00 -1.04 0.00 0.00 57.85 56.57 1m1f n ARG 53 Cb 0.45 -0.59 -0.02 0.00 -3.04 0.00 0.00 32.46 29.26 1m1f n ARG 53 CO 0.00 0.00 0.00 2.41 -3.04 0.00 0.00 177.63 177.00 1m1f n THR 54 N -0.73 0.72 -3.65 8.89 -1.04 -1.26 -4.68 114.28 112.54 1m1f n THR 54 Ca 0.06 -0.18 -0.06 0.00 -2.04 0.00 0.00 64.05 61.83 1m1f n THR 54 Cb 0.25 -1.80 -0.07 0.00 -1.82 0.00 0.00 70.33 66.89 1m1f n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1m1f s ALA 55 N 0.28 -1.79 0.00 2.41 0.00 -0.22 -4.95 121.76 117.49 1m1f s ALA 55 Ca 0.68 2.24 0.00 0.00 0.00 0.00 0.00 51.96 54.89 1m1f s ALA 55 Cb -0.55 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1m1f s ALA 55 CO 0.45 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 176.06 1m1f n GLY 56 N 4.72 3.49 0.06 0.00 0.00 -1.26 -1.43 105.19 110.78 1m1f n GLY 56 Ca -0.17 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 45.89 1m1f n GLY 56 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1m1f n PHE 57 N 14.00 0.00 -3.16 1.61 3.72 -1.26 -4.77 117.46 127.60 1m1f n PHE 57 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 1m1f n PHE 57 Cb 0.00 -0.20 -0.07 0.00 -0.94 0.00 0.00 39.48 38.27 1m1f n PHE 57 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1m1f s ALA 58 N -2.46 3.55 -0.22 4.37 0.00 -0.52 -1.30 121.76 125.19 1m1f s ALA 58 Ca 0.31 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 1m1f s ALA 58 Cb 0.20 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 1m1f s ALA 58 CO 0.46 -0.97 0.05 0.08 0.00 0.00 0.00 175.76 175.38 1m1f s VAL 59 N 2.49 4.36 0.24 0.00 1.01 -0.46 -1.06 120.40 126.99 1m1f s VAL 59 Ca 0.23 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1m1f s VAL 59 Cb -0.15 -3.00 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 1m1f s VAL 59 CO 0.11 0.40 1.15 -0.55 0.00 0.00 0.00 175.10 176.21 1m1f s SER 60 N 1.08 7.16 0.00 3.32 0.15 -1.26 -0.37 113.70 123.78 1m1f s SER 60 Ca 0.04 2.28 0.28 0.00 0.70 0.00 0.00 55.95 59.24 1m1f s SER 60 Cb -0.14 -2.62 1.08 0.00 -1.71 0.00 0.00 66.02 62.63 1m1f s SER 60 CO 0.03 -0.26 1.76 0.18 1.20 0.00 0.00 173.24 176.15 1m1f n LEU 61 N 1.73 0.82 -4.80 3.45 4.77 -0.70 -4.91 117.00 117.37 1m1f n LEU 61 Ca 0.01 -0.18 -0.32 0.00 -0.03 0.00 0.00 56.01 55.49 1m1f n LEU 61 Cb 0.45 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1m1f n LEU 61 CO 0.55 0.15 0.72 -0.62 -1.33 0.00 0.00 177.39 176.86 1m1f s ASP 62 N -2.36 5.56 -0.22 -1.43 2.15 -1.26 -4.26 116.67 114.84 1m1f s ASP 62 Ca 0.30 1.81 0.00 0.00 0.43 0.00 0.00 52.55 55.09 1m1f s ASP 62 Cb 0.20 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 1m1f s ASP 62 CO 0.46 -1.32 0.00 0.61 -0.17 0.00 0.00 175.17 174.74 1m1f n GLY 63 N -1.11 0.56 0.39 2.66 0.00 -1.26 -4.88 105.19 101.55 1m1f n GLY 63 Ca 0.09 -0.50 0.01 0.00 0.00 0.00 0.00 46.02 45.62 1m1f n GLY 63 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1m1f n VAL 64 N -2.86 0.25 -0.90 1.61 3.14 -1.26 -5.01 118.33 113.30 1m1f n VAL 64 Ca -0.02 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1m1f n VAL 64 Cb 0.11 0.45 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 1m1f n VAL 64 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1m1f n GLY 65 N -0.18 0.54 3.73 7.55 0.00 -1.26 -4.88 105.19 110.70 1m1f n GLY 65 Ca 0.02 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1m1f n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1m1f s ILE 66 N -2.00 4.73 0.03 -0.61 1.01 -1.26 -4.98 121.20 118.12 1m1f s ILE 66 Ca 0.00 1.77 -0.17 0.00 0.00 0.00 0.00 60.65 62.25 1m1f s ILE 66 Cb 0.00 -4.18 -0.27 0.00 0.01 0.00 0.00 42.46 38.01 1m1f s ILE 66 CO 0.00 0.31 1.08 -0.09 0.00 0.00 0.00 174.94 176.24 1m1f h ARG 67 N 5.91 0.53 -6.76 2.79 2.43 -1.96 -3.44 114.38 113.87 1m1f h ARG 67 Ca -0.43 -0.67 -0.54 0.00 -0.81 0.00 0.00 59.98 57.52 1m1f h ARG 67 Cb 1.21 0.22 0.09 0.00 -0.42 0.00 0.00 29.97 31.06 1m1f h ARG 67 CO 0.72 1.28 0.82 2.41 -1.51 0.00 0.00 179.97 183.69 1m1f n THR 68 N -3.97 1.10 -4.03 0.20 -1.04 -1.26 -5.00 114.28 100.28 1m1f n THR 68 Ca -0.13 -0.27 -0.22 0.00 -2.04 0.00 0.00 64.05 61.39 1m1f n THR 68 Cb 0.86 -1.87 -0.05 0.00 -1.82 0.00 0.00 70.33 67.46 1m1f n THR 68 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1m1f s THR 69 N -0.12 3.51 0.00 12.58 -4.23 -1.26 -4.89 115.64 121.24 1m1f s THR 69 Ca 0.64 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1m1f s THR 69 Cb -0.52 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1m1f s THR 69 CO 0.50 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 1m1f n GLY 70 N -1.20 0.00 3.17 3.99 0.00 -1.26 -4.80 105.19 105.09 1m1f n GLY 70 Ca -0.04 -2.02 -0.20 0.00 0.00 0.00 0.00 46.02 43.77 1m1f n GLY 70 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1m1f s VAL 71 N 0.00 1.17 -0.17 1.61 -7.23 0.11 -1.72 120.40 114.17 1m1f s VAL 71 Ca 0.00 -1.17 -0.19 0.00 -1.81 0.00 0.00 61.98 58.81 1m1f s VAL 71 Cb 0.00 -1.09 -0.03 0.00 0.56 0.00 0.00 36.38 35.82 1m1f s VAL 71 CO 0.00 -0.09 0.54 -0.69 -0.31 0.00 0.00 175.10 174.55 1m1f s VAL 72 N -1.05 5.11 -0.98 1.32 1.01 0.50 -1.08 120.40 125.24 1m1f s VAL 72 Ca 0.01 1.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.82 1m1f s VAL 72 Cb -0.09 -3.87 0.12 0.00 0.00 0.00 0.00 36.38 32.55 1m1f s VAL 72 CO 0.02 0.21 1.22 -0.13 0.00 0.00 0.00 175.10 176.42 1m1f s ARG 73 N 1.38 3.66 0.07 2.72 1.81 -0.26 -1.36 118.95 126.96 1m1f s ARG 73 Ca 0.26 -1.75 0.18 0.00 -1.72 0.00 0.00 55.73 52.70 1m1f s ARG 73 Cb -0.16 -5.01 0.74 0.00 -0.45 0.00 0.00 34.95 30.07 1m1f s ARG 73 CO 0.10 -1.85 1.55 0.00 -0.68 0.00 0.00 175.30 174.43 1m1f n ASP 75 N -1.69 1.12 -2.71 0.00 5.75 -1.26 -4.33 116.55 113.42 1m1f n ASP 75 Ca 0.03 -1.39 -0.22 0.00 -0.01 0.00 0.00 54.79 53.20 1m1f n ASP 75 Cb 0.20 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.27 1m1f n ASP 75 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1m1f n GLN 76 N -0.12 2.59 -2.07 0.11 6.02 -0.75 -5.08 117.38 118.07 1m1f n GLN 76 Ca 0.20 -4.18 -0.36 0.00 -0.01 0.00 0.00 57.00 52.65 1m1f n GLN 76 Cb 0.29 -1.96 0.02 0.00 1.02 0.00 0.00 30.24 29.61 1m1f n GLN 76 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1m1f s PRO 77 N -3.30 3.16 -0.15 -1.09 0.04 -1.26 -4.34 135.00 128.06 1m1f s PRO 77 Ca 0.43 1.82 -0.13 0.00 0.04 0.00 0.00 61.00 63.16 1m1f s PRO 77 Cb 0.38 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.93 1m1f s PRO 77 CO -0.11 -1.05 0.40 0.50 0.04 0.00 0.00 177.00 176.77 1m1f s ARG 78 N -3.20 0.44 -0.26 4.56 3.52 0.10 -4.96 118.95 119.16 1m1f s ARG 78 Ca 0.74 0.61 -0.18 0.00 -0.13 0.00 0.00 55.73 56.77 1m1f s ARG 78 Cb -0.30 0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.23 1m1f s ARG 78 CO 0.33 -0.08 0.54 0.99 -0.81 0.00 0.00 175.30 176.27 1m1f s THR 79 N 0.50 5.05 0.08 4.11 2.01 -1.26 -0.89 115.64 125.25 1m1f s THR 79 Ca -0.02 0.93 0.03 0.00 0.31 0.00 0.00 61.69 62.94 1m1f s THR 79 Cb -0.04 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 1m1f s THR 79 CO -0.03 0.08 -0.10 0.27 -0.69 0.00 0.00 174.62 174.16 1m1f s ILE 80 N 2.32 0.85 -0.88 1.82 -4.36 -0.57 -4.99 121.20 115.39 1m1f s ILE 80 Ca 0.22 -1.54 -0.19 0.00 -0.26 0.00 0.00 60.65 58.88 1m1f s ILE 80 Cb -0.16 -1.23 0.12 0.00 1.25 0.00 0.00 42.46 42.44 1m1f s ILE 80 CO 0.09 -0.53 1.09 -0.62 0.24 0.00 0.00 174.94 175.21 1m1f s ASP 81 N -2.29 6.55 0.20 4.36 -1.08 -1.26 -2.94 116.67 120.21 1m1f s ASP 81 Ca 0.03 -1.89 -0.11 0.00 -0.52 0.00 0.00 52.55 50.06 1m1f s ASP 81 Cb -0.04 -2.40 0.18 0.00 -1.46 0.00 0.00 42.92 39.21 1m1f s ASP 81 CO -0.00 -1.11 1.82 -0.03 0.52 0.00 0.00 175.17 176.36 1m1f h MET 82 N 8.94 0.67 -0.19 4.34 1.85 -1.93 -1.95 114.93 126.67 1m1f h MET 82 Ca 0.08 -0.04 -0.03 0.00 -0.61 0.00 0.00 59.70 59.10 1m1f h MET 82 Cb 1.03 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.90 1m1f h MET 82 CO 1.12 0.44 -0.00 0.87 -0.40 0.00 0.00 176.91 178.94 1m1f h LYS 83 N 0.69 0.33 -0.15 0.39 6.56 -1.90 -1.36 116.57 121.13 1m1f h LYS 83 Ca 0.26 -0.11 -0.02 0.00 -1.06 0.00 0.00 60.65 59.72 1m1f h LYS 83 Cb 0.10 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.72 1m1f h LYS 83 CO -0.14 0.54 -0.02 0.00 -2.06 0.00 0.00 179.45 177.78 1m1f h ALA 84 N 0.78 1.69 -0.00 3.86 0.00 -1.89 -1.75 119.26 121.95 1m1f h ALA 84 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1m1f h ALA 84 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1m1f h ALA 84 CO 0.01 0.24 -0.08 0.54 0.00 0.00 0.00 179.25 179.96 1m1f n ARG 85 N -4.39 0.83 -2.29 0.00 1.74 -0.75 -4.94 116.66 106.86 1m1f n ARG 85 Ca -0.01 -0.27 -0.06 0.00 -0.77 0.00 0.00 57.85 56.74 1m1f n ARG 85 Cb 0.18 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1m1f n ARG 85 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m1f n GLY 86 N 1.23 0.22 3.72 -0.13 0.00 -0.66 -4.43 105.19 105.14 1m1f n GLY 86 Ca 0.16 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 1m1f n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1m1f s GLY 87 N -2.82 2.59 -0.06 -0.02 0.00 -0.56 -4.90 107.32 101.56 1m1f s GLY 87 Ca 0.04 1.07 0.03 0.00 0.00 0.00 0.00 44.72 45.86 1m1f s GLY 87 CO 0.05 1.49 -0.14 0.54 0.00 0.00 0.00 173.10 175.05 1m1f s LYS 88 N -3.67 1.73 0.04 2.90 3.01 -0.32 -4.92 119.74 118.51 1m1f s LYS 88 Ca 0.79 -0.47 -0.30 0.00 -1.01 0.00 0.00 55.97 54.98 1m1f s LYS 88 Cb -0.34 -1.44 -0.05 0.00 -1.01 0.00 0.00 37.83 34.99 1m1f s LYS 88 CO 0.43 0.09 1.17 0.50 0.51 0.00 0.00 175.35 178.05 1m1f s ARG 89 N 0.48 4.43 -0.26 1.68 3.52 -1.26 -0.41 118.95 127.14 1m1f s ARG 89 Ca -0.12 1.71 -0.15 0.00 -0.13 0.00 0.00 55.73 57.05 1m1f s ARG 89 Cb -0.14 -3.39 -0.11 0.00 -1.56 0.00 0.00 34.95 29.74 1m1f s ARG 89 CO 0.03 -0.26 -0.36 1.28 -0.81 0.00 0.00 175.30 175.18 1m1f n LEU 90 N 4.12 1.96 -3.94 -0.88 4.77 0.72 -4.92 117.00 118.83 1m1f n LEU 90 Ca 0.09 0.34 -0.01 0.00 -0.03 0.00 0.00 56.01 56.40 1m1f n LEU 90 Cb 0.47 -0.80 0.02 0.00 -2.33 0.00 0.00 43.42 40.77 1m1f n LEU 90 CO 0.55 0.42 0.92 -1.83 -1.33 0.00 0.00 177.39 176.12 1m1f s GLU 91 N -2.59 0.99 -0.02 3.23 -1.05 -1.15 -5.01 118.70 113.11 1m1f s GLU 91 Ca -0.37 -0.64 0.06 0.00 -0.15 0.00 0.00 54.97 53.86 1m1f s GLU 91 Cb 0.13 0.27 -0.01 0.00 -0.44 0.00 0.00 34.13 34.08 1m1f s GLU 91 CO 0.48 -0.46 -0.19 0.50 0.95 0.00 0.00 175.26 176.53 1m1f s ARG 92 N -2.04 1.62 0.32 -4.83 3.52 -1.26 -0.61 118.95 115.66 1m1f s ARG 92 Ca 0.26 -0.69 -0.12 0.00 -0.13 0.00 0.00 55.73 55.04 1m1f s ARG 92 Cb -0.02 -1.54 -0.08 0.00 -1.56 0.00 0.00 34.95 31.75 1m1f s ARG 92 CO 0.03 0.40 0.69 0.14 -0.81 0.00 0.00 175.30 175.76 1m1f s VAL 93 N -0.40 4.77 0.73 7.11 -7.23 -0.05 -4.97 120.40 120.35 1m1f s VAL 93 Ca 0.06 0.74 -0.15 0.00 -1.81 0.00 0.00 61.98 60.81 1m1f s VAL 93 Cb -0.08 -3.64 0.04 0.00 0.56 0.00 0.00 36.38 33.26 1m1f s VAL 93 CO -0.00 -0.24 1.24 -2.84 -0.31 0.00 0.00 175.10 172.94 1m1f s PRO 94 N -3.15 2.11 0.43 4.82 0.02 -1.26 -4.81 135.00 133.15 1m1f s PRO 94 Ca 0.52 1.86 0.12 0.00 0.02 0.00 0.00 61.00 63.52 1m1f s PRO 94 Cb -0.10 -1.82 0.98 0.00 0.02 0.00 0.00 34.50 33.58 1m1f s PRO 94 CO 0.22 -1.88 1.99 0.93 -0.33 0.00 0.00 177.00 177.92 1m1f h GLU 95 N -0.21 0.44 -0.49 5.54 4.39 -1.99 -1.82 114.58 120.44 1m1f h GLU 95 Ca -0.48 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.24 1m1f h GLU 95 Cb 1.31 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.82 1m1f h GLU 95 CO 0.50 0.29 0.24 1.79 -1.16 0.00 0.00 179.01 180.67 1m1f h THR 96 N 0.46 0.95 -0.32 1.13 1.35 -1.99 0.11 112.91 114.58 1m1f h THR 96 Ca 0.26 -0.16 -0.04 0.00 -0.55 0.00 0.00 66.41 65.92 1m1f h THR 96 Cb 0.44 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 1m1f h THR 96 CO -0.07 0.09 0.04 0.40 -0.25 0.00 0.00 175.52 175.73 1m1f h ILE 97 N 0.48 1.24 -0.78 6.82 1.08 -1.71 -2.28 117.51 122.36 1m1f h ILE 97 Ca 0.22 -0.84 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 1m1f h ILE 97 Cb 0.14 1.16 -0.04 0.00 -3.07 0.00 0.00 36.82 35.01 1m1f h ILE 97 CO -0.16 0.28 0.45 -0.03 -0.69 0.00 0.00 178.15 177.99 1m1f h MET 98 N 0.36 1.07 -0.28 2.37 4.05 -1.02 -0.81 114.93 120.67 1m1f h MET 98 Ca 0.10 -0.11 -0.08 0.00 -0.28 0.00 0.00 59.70 59.32 1m1f h MET 98 Cb 0.36 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 30.93 1m1f h MET 98 CO 0.01 0.77 -0.19 -0.91 0.23 0.00 0.00 176.91 176.82 1m1f h ASN 99 N 1.08 0.50 -0.40 1.39 -0.26 -0.65 0.09 115.58 117.33 1m1f h ASN 99 Ca 0.28 -0.15 -0.10 0.00 -0.56 0.00 0.00 56.30 55.77 1m1f h ASN 99 Cb -0.01 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 1m1f h ASN 99 CO -0.05 0.70 -0.15 -0.33 -1.06 0.00 0.00 177.43 176.54 1m1f h GLU 100 N 0.45 0.80 -0.15 0.81 5.08 -0.80 -0.71 114.58 120.07 1m1f h GLU 100 Ca 0.08 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1m1f h GLU 100 Cb 0.59 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1m1f h GLU 100 CO 0.04 0.96 0.07 0.28 -1.00 0.00 0.00 179.01 179.36 1m1f h VAL 101 N 0.61 1.13 -0.56 3.13 2.07 -0.83 -2.01 116.25 119.79 1m1f h VAL 101 Ca 0.09 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1m1f h VAL 101 Cb 0.70 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1m1f h VAL 101 CO 0.05 0.12 0.22 -0.07 0.02 0.00 0.00 177.57 177.91 1m1f h LEU 102 N 0.12 0.73 -0.02 2.57 3.38 -0.96 0.75 115.31 121.88 1m1f h LEU 102 Ca 0.05 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1m1f h LEU 102 Cb 0.12 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1m1f h LEU 102 CO -0.01 0.66 -0.13 1.23 0.09 0.00 0.00 178.44 180.28 1m1f h GLY 103 N 0.92 -0.15 0.68 0.83 0.00 -0.86 0.53 103.07 105.02 1m1f h GLY 103 Ca 0.19 0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.62 1m1f h GLY 103 CO -0.02 -0.13 -0.17 3.21 0.00 0.00 0.00 176.54 179.43 1m1f h ARG 104 N -0.21 0.29 -0.91 4.80 2.47 -1.03 -3.20 114.38 116.61 1m1f h ARG 104 Ca 0.05 -0.18 0.08 0.00 -1.26 0.00 0.00 59.98 58.67 1m1f h ARG 104 Cb 0.28 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.55 1m1f h ARG 104 CO -0.14 0.76 0.56 1.25 0.56 0.00 0.00 179.97 182.96 1m1f h LEU 105 N -0.15 0.85 -2.07 3.04 5.85 -0.79 -1.69 115.31 120.36 1m1f h LEU 105 Ca 0.01 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.85 1m1f h LEU 105 Cb 0.75 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1m1f h LEU 105 CO 0.04 0.51 0.26 0.77 -0.34 0.00 0.00 178.44 179.68 1m1f h SER 106 N 0.97 0.00 0.64 1.25 4.64 -0.88 -1.74 113.55 118.43 1m1f h SER 106 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1m1f h SER 106 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1m1f h SER 106 CO -0.21 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.10 1m1f n THR 107 N -4.20 0.87 0.31 2.95 -2.24 -0.63 -1.81 114.28 109.52 1m1f n THR 107 Ca 0.05 0.21 0.14 0.00 -2.27 0.00 0.00 64.05 62.18 1m1f n THR 107 Cb 0.43 -1.01 0.64 0.00 -2.10 0.00 0.00 70.33 68.28 1m1f n THR 107 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1m1f h ILE 108 N 0.00 0.00 -0.02 2.28 3.07 -1.47 -2.53 117.51 118.85 1m1f h ILE 108 Ca 0.00 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 66.21 1m1f h ILE 108 Cb 0.32 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 37.81 1m1f h ILE 108 CO 0.00 0.00 -0.30 0.18 -1.05 0.00 0.00 178.15 176.98 1m1f n LEU 109 N -2.50 2.05 0.00 0.16 4.77 -0.75 -5.21 117.00 115.51 1m1f n LEU 109 Ca 0.00 -0.71 0.06 0.00 -0.03 0.00 0.00 56.01 55.33 1m1f n LEU 109 Cb 0.17 -0.02 0.33 0.00 -2.33 0.00 0.00 43.42 41.57 1m1f n LEU 109 CO 0.18 0.37 0.55 0.41 -1.33 0.00 0.00 177.39 177.57