#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fmd s THR 2 N 0.00 4.80 0.17 12.58 -4.23 -1.26 -5.08 115.64 122.62 1fmd s THR 2 Ca 0.00 0.95 -0.04 0.00 -1.18 0.00 0.00 61.69 61.41 1fmd s THR 2 Cb 0.00 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 1fmd s THR 2 CO 0.00 0.28 0.18 -0.89 -0.54 0.00 0.00 174.62 173.65 1fmd s THR 3 N -1.43 0.05 -0.49 3.99 2.01 -1.26 -5.07 115.64 113.44 1fmd s THR 3 Ca 0.37 -1.74 -0.24 0.00 0.31 0.00 0.00 61.69 60.39 1fmd s THR 3 Cb -0.16 -2.14 0.03 0.00 0.01 0.00 0.00 72.50 70.25 1fmd s THR 3 CO 0.19 -0.24 0.86 -0.89 -0.69 0.00 0.00 174.62 173.85 1fmd s THR 4 N -4.06 4.54 0.33 -0.82 2.01 -1.26 -4.90 115.64 111.49 1fmd s THR 4 Ca 0.26 0.36 0.01 0.00 0.31 0.00 0.00 61.69 62.63 1fmd s THR 4 Cb 0.05 -4.42 0.26 0.00 0.01 0.00 0.00 72.50 68.40 1fmd s THR 4 CO 0.05 -0.89 1.99 1.23 -0.69 0.00 0.00 174.62 176.31 1fmd h GLY 5 N 10.49 0.97 1.22 4.40 0.00 -1.98 -3.10 103.07 115.07 1fmd h GLY 5 Ca -0.25 -0.37 0.07 0.00 0.00 0.00 0.00 47.33 46.77 1fmd h GLY 5 CO 1.02 0.36 0.36 0.83 0.00 0.00 0.00 176.54 179.11 1fmd h GLU 6 N 0.93 0.44 -0.98 4.80 3.07 -2.00 -3.18 114.58 117.66 1fmd h GLU 6 Ca 0.25 -0.03 0.33 0.00 -0.50 0.00 0.00 59.36 59.42 1fmd h GLU 6 Cb -0.09 -0.10 -0.17 0.00 -0.84 0.00 0.00 28.75 27.55 1fmd h GLU 6 CO -0.05 0.29 0.36 0.66 -1.40 0.00 0.00 179.01 178.87 1fmd h SER 7 N 0.45 0.10 0.00 1.42 4.64 -1.96 -3.45 113.55 114.75 1fmd h SER 7 Ca 0.24 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1fmd h SER 7 Cb 0.35 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1fmd h SER 7 CO -0.06 -0.32 0.00 0.00 -0.87 0.00 0.00 176.83 175.58 1fmd n ALA 8 N -2.57 0.00 -2.43 5.18 0.00 -1.20 -5.00 120.51 114.50 1fmd n ALA 8 Ca 0.30 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.33 1fmd n ALA 8 Cb 1.00 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 20.35 1fmd n ALA 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1fmd s ASP 9 N -2.65 7.39 0.51 0.00 1.01 -1.26 -4.99 116.67 116.68 1fmd s ASP 9 Ca 0.00 1.79 -0.22 0.00 0.71 0.00 0.00 52.55 54.83 1fmd s ASP 9 Cb 0.00 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.27 1fmd s ASP 9 CO 0.00 -0.19 1.08 -0.81 0.21 0.00 0.00 175.17 175.46 1fmd n PRO 10 N 3.26 1.32 -3.81 8.23 -0.04 -1.26 -5.03 135.00 137.67 1fmd n PRO 10 Ca 0.04 0.48 -0.13 0.00 -0.04 0.00 0.00 63.50 63.85 1fmd n PRO 10 Cb 0.49 -2.21 -0.15 0.00 -0.04 0.00 0.00 33.50 31.59 1fmd n PRO 10 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1fmd s VAL 11 N -1.36 -0.03 -0.24 0.52 1.01 -1.26 -5.13 120.40 113.91 1fmd s VAL 11 Ca 0.69 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.73 1fmd s VAL 11 Cb -0.48 -0.09 0.10 0.00 0.00 0.00 0.00 36.38 35.91 1fmd s VAL 11 CO 0.52 0.04 0.21 -0.89 0.00 0.00 0.00 175.10 174.99 1fmd s THR 12 N 0.54 -0.27 0.57 3.92 2.01 -1.26 -5.15 115.64 116.00 1fmd s THR 12 Ca -0.04 -0.36 -0.06 0.00 0.31 0.00 0.00 61.69 61.53 1fmd s THR 12 Cb -0.06 -0.82 0.12 0.00 0.01 0.00 0.00 72.50 71.75 1fmd s THR 12 CO -0.02 -0.40 0.77 0.35 -0.69 0.00 0.00 174.62 174.63 1fmd n THR 13 N 5.30 0.00 -3.95 -0.82 -2.24 -1.26 -5.11 114.28 106.19 1fmd n THR 13 Ca -0.05 -0.79 -0.08 0.00 -2.27 0.00 0.00 64.05 60.86 1fmd n THR 13 Cb 0.47 -1.43 -0.08 0.00 -2.10 0.00 0.00 70.33 67.19 1fmd n THR 13 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1fmd s THR 14 N -2.48 0.16 0.31 4.28 -4.23 -1.26 -5.01 115.64 107.42 1fmd s THR 14 Ca 0.46 -1.43 0.30 0.00 -1.18 0.00 0.00 61.69 59.84 1fmd s THR 14 Cb -0.02 -1.45 0.30 0.00 1.34 0.00 0.00 72.50 72.68 1fmd s THR 14 CO 0.32 -0.75 1.92 -0.37 -0.54 0.00 0.00 174.62 175.20 1fmd h VAL 15 N 2.88 0.00 -0.14 2.29 -1.51 -1.95 -0.03 116.25 117.79 1fmd h VAL 15 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 1fmd h VAL 15 Cb 1.18 0.68 -0.01 0.00 -2.13 0.00 0.00 31.29 31.01 1fmd h VAL 15 CO 0.59 0.00 0.10 -0.33 -1.23 0.00 0.00 177.57 176.70 1fmd h GLU 16 N 0.00 0.18 -0.98 5.19 3.07 -1.90 0.35 114.58 120.49 1fmd h GLU 16 Ca 0.00 -0.01 0.21 0.00 -0.50 0.00 0.00 59.36 59.06 1fmd h GLU 16 Cb 0.21 -0.04 -0.11 0.00 -0.84 0.00 0.00 28.75 27.96 1fmd h GLU 16 CO 0.00 0.12 0.57 -0.91 -1.40 0.00 0.00 179.01 177.39 1fmd h ASN 17 N 0.19 0.68 -0.02 1.42 4.21 -1.31 -1.16 115.58 119.59 1fmd h ASN 17 Ca 0.05 0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.68 1fmd h ASN 17 Cb -0.01 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1fmd h ASN 17 CO -0.01 0.18 -0.24 0.00 -1.29 0.00 0.00 177.43 176.06 1fmd n TYR 18 N -4.85 0.00 0.00 1.19 0.18 -0.95 -4.96 117.16 107.77 1fmd n TYR 18 Ca 0.24 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.02 1fmd n TYR 18 Cb 0.64 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.60 1fmd n TYR 18 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1fmd n GLY 19 N 1.21 0.62 1.31 -7.48 0.00 -0.44 -5.13 105.19 95.27 1fmd n GLY 19 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1fmd n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fmd n GLY 20 N 0.00 -1.41 2.60 -0.02 0.00 0.12 -4.89 105.19 101.59 1fmd n GLY 20 Ca 0.00 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 44.11 1fmd n GLY 20 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1fmd s GLU 21 N -3.98 0.24 0.19 1.61 2.12 -1.26 -3.66 118.70 113.97 1fmd s GLU 21 Ca 0.26 -0.45 -0.32 0.00 0.36 0.00 0.00 54.97 54.81 1fmd s GLU 21 Cb -0.01 -1.02 -0.15 0.00 0.26 0.00 0.00 34.13 33.22 1fmd s GLU 21 CO 0.18 -1.03 1.26 2.41 -0.54 0.00 0.00 175.26 177.54 1fmd n THR 22 N 5.22 0.85 -2.18 -1.70 -1.04 -1.26 -5.00 114.28 109.16 1fmd n THR 22 Ca -0.04 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1fmd n THR 22 Cb 0.43 -1.06 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 1fmd n THR 22 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fmd n GLN 23 N 1.92 3.02 -3.99 -2.82 1.13 -1.26 -5.11 117.38 110.26 1fmd n GLN 23 Ca 0.14 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.95 1fmd n GLN 23 Cb 0.27 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.58 1fmd n GLN 23 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1fmd s VAL 24 N 1.81 5.05 0.17 5.09 1.01 -1.26 -5.12 120.40 127.15 1fmd s VAL 24 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1fmd s VAL 24 Cb 0.00 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1fmd s VAL 24 CO 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 175.10 174.91 1fmd s GLN 25 N -3.40 1.09 -0.43 2.72 1.03 -1.26 -5.09 119.66 114.33 1fmd s GLN 25 Ca 0.33 -1.51 0.05 0.00 0.04 0.00 0.00 55.36 54.27 1fmd s GLN 25 Cb -0.10 -0.37 0.19 0.00 0.03 0.00 0.00 33.01 32.76 1fmd s GLN 25 CO 0.27 -0.08 0.45 0.54 -2.54 0.00 0.00 175.29 173.93 1fmd n ARG 26 N -0.23 0.33 -0.68 9.60 1.74 -1.26 -5.01 116.66 121.14 1fmd n ARG 26 Ca -0.08 -2.93 -0.05 0.00 -0.77 0.00 0.00 57.85 54.02 1fmd n ARG 26 Cb 0.63 -1.57 -0.07 0.00 -1.02 0.00 0.00 32.46 30.43 1fmd n ARG 26 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1fmd n ARG 27 N 2.65 1.37 -0.16 5.56 1.74 -1.26 -4.28 116.66 122.27 1fmd n ARG 27 Ca 0.26 -0.39 -0.08 0.00 -0.77 0.00 0.00 57.85 56.87 1fmd n ARG 27 Cb 0.50 -1.40 0.01 0.00 -1.02 0.00 0.00 32.46 30.55 1fmd n ARG 27 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1fmd h HIS 28 N 1.87 0.68 0.00 -1.55 3.86 -1.99 -2.22 115.15 115.80 1fmd h HIS 28 Ca 0.07 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1fmd h HIS 28 Cb 1.18 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 29.44 1fmd h HIS 28 CO 0.85 0.55 -0.09 0.45 0.86 0.00 0.00 177.93 180.54 1fmd h HIS 29 N 0.61 0.00 -0.64 2.45 3.86 -2.02 -2.30 115.15 117.11 1fmd h HIS 29 Ca 0.16 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.27 1fmd h HIS 29 Cb 0.13 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.54 1fmd h HIS 29 CO -0.01 0.09 0.13 0.25 0.86 0.00 0.00 177.93 179.26 1fmd n THR 30 N -3.60 2.75 -2.99 2.45 -2.24 -0.84 -4.54 114.28 105.27 1fmd n THR 30 Ca -0.02 -1.44 -0.41 0.00 -2.27 0.00 0.00 64.05 59.91 1fmd n THR 30 Cb 0.22 -0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 68.07 1fmd n THR 30 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fmd s ASP 31 N -0.84 6.87 0.01 3.42 2.15 -0.87 -4.98 116.67 122.44 1fmd s ASP 31 Ca 0.53 1.06 -0.02 0.00 0.43 0.00 0.00 52.55 54.54 1fmd s ASP 31 Cb 0.41 -2.41 -0.01 0.00 -0.30 0.00 0.00 42.92 40.61 1fmd s ASP 31 CO 0.14 -0.31 1.04 0.58 -0.17 0.00 0.00 175.17 176.45 1fmd h VAL 32 N 5.12 0.00 -1.06 1.11 2.07 -1.90 -0.23 116.25 121.36 1fmd h VAL 32 Ca -0.32 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.55 1fmd h VAL 32 Cb 1.14 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.77 1fmd h VAL 32 CO 0.80 0.00 0.62 0.00 0.02 0.00 0.00 177.57 179.01 1fmd h ALA 33 N -1.06 2.14 0.26 1.67 0.00 -1.95 -2.57 119.26 117.75 1fmd h ALA 33 Ca 0.01 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1fmd h ALA 33 Cb 0.04 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1fmd h ALA 33 CO -0.05 -0.77 -0.13 0.35 0.00 0.00 0.00 179.25 178.65 1fmd h PHE 34 N 0.24 -0.33 -0.21 0.00 3.57 -1.58 -3.11 116.94 115.52 1fmd h PHE 34 Ca 0.76 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 62.30 1fmd h PHE 34 Cb 1.90 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 40.69 1fmd h PHE 34 CO -0.01 -0.10 -0.16 -0.39 -2.23 0.00 0.00 178.31 175.42 1fmd h VAL 35 N -1.05 0.55 0.00 1.41 -1.51 -0.75 -1.78 116.25 113.11 1fmd h VAL 35 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 1fmd h VAL 35 Cb 0.37 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.08 1fmd h VAL 35 CO 0.06 0.00 0.00 -0.07 -1.23 0.00 0.00 177.57 176.33 1fmd h LEU 36 N -0.16 0.00 -5.43 4.19 3.38 -1.64 -3.36 115.31 112.29 1fmd h LEU 36 Ca 0.12 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.43 1fmd h LEU 36 Cb 0.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1fmd h LEU 36 CO -0.31 0.00 3.48 -0.67 0.09 0.00 0.00 178.44 181.03 1fmd n ASP 37 N -2.45 6.61 -3.64 -0.43 -0.08 -0.67 -3.76 116.55 112.13 1fmd n ASP 37 Ca -0.00 -2.65 -0.10 0.00 -1.51 0.00 0.00 54.79 50.52 1fmd n ASP 37 Cb 0.14 -1.55 -0.04 0.00 2.34 0.00 0.00 41.12 42.01 1fmd n ASP 37 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fmd s ARG 38 N 2.70 1.18 0.40 -0.67 1.70 -1.26 -4.97 118.95 118.03 1fmd s ARG 38 Ca 0.60 -0.72 -0.23 0.00 -0.47 0.00 0.00 55.73 54.90 1fmd s ARG 38 Cb 0.16 0.50 -0.10 0.00 -0.57 0.00 0.00 34.95 34.94 1fmd s ARG 38 CO -0.06 -0.48 1.00 -0.06 -1.08 0.00 0.00 175.30 174.62 1fmd s PHE 39 N -3.82 3.35 -0.03 5.89 0.08 -1.26 -4.19 117.98 118.01 1fmd s PHE 39 Ca 0.05 1.66 -0.01 0.00 0.12 0.00 0.00 56.93 58.74 1fmd s PHE 39 Cb 0.01 -3.01 0.02 0.00 -0.57 0.00 0.00 43.02 39.46 1fmd s PHE 39 CO -0.10 -0.34 0.06 0.54 -0.10 0.00 0.00 175.22 175.28 1fmd s VAL 40 N -1.80 -0.03 0.33 -0.44 0.11 -0.04 -4.92 120.40 113.62 1fmd s VAL 40 Ca 0.58 0.10 -0.28 0.00 -2.93 0.00 0.00 61.98 59.46 1fmd s VAL 40 Cb -0.18 -0.11 -0.09 0.00 -1.53 0.00 0.00 36.38 34.47 1fmd s VAL 40 CO 0.23 0.04 1.14 -0.75 -3.33 0.00 0.00 175.10 172.42 1fmd s LYS 41 N 0.57 4.40 -0.05 1.54 2.20 -1.26 -1.32 119.74 125.82 1fmd s LYS 41 Ca -0.05 1.83 0.04 0.00 -0.36 0.00 0.00 55.97 57.43 1fmd s LYS 41 Cb -0.06 -2.97 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1fmd s LYS 41 CO -0.02 -0.01 -0.16 0.54 -0.36 0.00 0.00 175.35 175.34 1fmd s VAL 42 N -1.28 1.37 -0.55 4.02 0.11 0.15 -4.57 120.40 119.65 1fmd s VAL 42 Ca 0.50 -0.66 -0.27 0.00 -2.93 0.00 0.00 61.98 58.61 1fmd s VAL 42 Cb -0.31 -1.19 -0.01 0.00 -1.53 0.00 0.00 36.38 33.34 1fmd s VAL 42 CO 0.40 0.40 1.66 0.42 -3.33 0.00 0.00 175.10 174.65 1fmd s THR 43 N 0.22 3.55 0.08 5.04 -4.23 -1.26 -4.23 115.64 114.81 1fmd s THR 43 Ca -0.07 0.43 -0.18 0.00 -1.18 0.00 0.00 61.69 60.68 1fmd s THR 43 Cb -0.13 -4.11 -0.07 0.00 1.34 0.00 0.00 72.50 69.54 1fmd s THR 43 CO 0.03 -0.95 0.56 0.54 -0.54 0.00 0.00 174.62 174.26 1fmd s VAL 44 N 7.44 4.77 -0.02 2.29 0.11 -1.26 -4.99 120.40 128.74 1fmd s VAL 44 Ca 0.63 1.14 0.02 0.00 -2.93 0.00 0.00 61.98 60.84 1fmd s VAL 44 Cb -0.13 -3.86 -0.03 0.00 -1.53 0.00 0.00 36.38 30.82 1fmd s VAL 44 CO 0.24 0.50 0.02 -1.54 -3.33 0.00 0.00 175.10 170.99 1fmd n SER 45 N 1.55 4.46 0.00 3.54 3.41 -1.26 -5.06 113.62 120.27 1fmd n SER 45 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1fmd n SER 45 Cb 0.51 0.69 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 1fmd n SER 45 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1fmd n ASP 46 N -1.96 1.15 -0.99 4.04 2.03 -1.26 -5.00 116.55 114.55 1fmd n ASP 46 Ca -0.03 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.37 1fmd n ASP 46 Cb 0.45 0.00 0.24 0.00 -0.72 0.00 0.00 41.12 41.08 1fmd n ASP 46 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1fmd n ASN 47 N 0.00 3.49 -3.83 1.67 6.94 -1.26 -4.57 115.26 117.70 1fmd n ASN 47 Ca 0.00 -2.06 -0.12 0.00 -0.02 0.00 0.00 54.58 52.37 1fmd n ASN 47 Cb 0.00 -0.37 -0.13 0.00 -2.36 0.00 0.00 39.78 36.93 1fmd n ASN 47 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1fmd s GLN 48 N -1.12 0.16 -0.19 -3.83 -2.07 -1.26 -1.90 119.66 109.44 1fmd s GLN 48 Ca 0.36 0.16 -0.10 0.00 -1.82 0.00 0.00 55.36 53.96 1fmd s GLN 48 Cb 0.20 0.08 0.07 0.00 -1.09 0.00 0.00 33.01 32.26 1fmd s GLN 48 CO 0.23 -0.02 0.47 -1.58 -1.32 0.00 0.00 175.29 173.07 1fmd s HIS 49 N 0.03 -0.72 0.09 9.60 2.46 0.08 -4.84 115.29 121.99 1fmd s HIS 49 Ca -0.00 1.48 -0.30 0.00 0.47 0.00 0.00 55.06 56.71 1fmd s HIS 49 Cb -0.01 0.35 -0.06 0.00 -0.13 0.00 0.00 32.58 32.73 1fmd s HIS 49 CO 0.00 -0.40 1.08 0.99 -2.47 0.00 0.00 174.74 173.95 1fmd s THR 50 N 1.58 4.24 -0.31 0.89 2.01 -1.26 -1.06 115.64 121.73 1fmd s THR 50 Ca -0.09 1.74 -0.29 0.00 0.31 0.00 0.00 61.69 63.36 1fmd s THR 50 Cb -0.08 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.32 1fmd s THR 50 CO -0.14 0.21 1.20 -0.76 -0.69 0.00 0.00 174.62 174.44 1fmd s LEU 51 N 0.43 3.91 -0.13 4.42 1.43 0.33 -4.94 118.68 124.13 1fmd s LEU 51 Ca 0.52 1.14 -0.06 0.00 -1.03 0.00 0.00 54.13 54.71 1fmd s LEU 51 Cb -0.27 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.47 1fmd s LEU 51 CO 0.31 -0.99 0.30 -0.62 0.23 0.00 0.00 176.35 175.58 1fmd s ASP 52 N 2.27 -0.20 0.35 2.29 2.15 -1.26 -1.50 116.67 120.77 1fmd s ASP 52 Ca 0.51 0.65 0.27 0.00 0.43 0.00 0.00 52.55 54.41 1fmd s ASP 52 Cb -0.15 0.60 0.98 0.00 -0.30 0.00 0.00 42.92 44.05 1fmd s ASP 52 CO 0.20 -0.19 1.79 -0.37 -0.17 0.00 0.00 175.17 176.43 1fmd h VAL 53 N 5.90 0.00 0.00 1.11 -1.51 -1.95 -2.84 116.25 116.96 1fmd h VAL 53 Ca -0.33 -0.45 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 1fmd h VAL 53 Cb 1.15 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 1fmd h VAL 53 CO 0.30 0.00 0.00 0.23 -1.23 0.00 0.00 177.57 176.87 1fmd n MET 54 N -2.59 0.08 -0.00 5.19 2.81 -1.26 -2.73 117.12 118.62 1fmd n MET 54 Ca 0.03 0.28 0.13 0.00 -1.81 0.00 0.00 57.70 56.33 1fmd n MET 54 Cb 0.33 -1.64 0.74 0.00 -0.71 0.00 0.00 33.22 31.94 1fmd n MET 54 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1fmd n GLN 55 N -1.78 1.10 -2.01 0.03 6.02 -1.07 -4.81 117.38 114.85 1fmd n GLN 55 Ca 0.04 -0.15 -0.32 0.00 -0.01 0.00 0.00 57.00 56.55 1fmd n GLN 55 Cb 0.22 -1.42 0.01 0.00 1.02 0.00 0.00 30.24 30.07 1fmd n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fmd s ALA 56 N -1.99 2.78 0.22 -1.58 0.00 -1.10 -4.48 121.76 115.61 1fmd s ALA 56 Ca 0.39 0.31 -0.31 0.00 0.00 0.00 0.00 51.96 52.35 1fmd s ALA 56 Cb 0.18 -3.21 -0.11 0.00 0.00 0.00 0.00 23.12 19.99 1fmd s ALA 56 CO 0.31 -0.80 1.56 -1.58 0.00 0.00 0.00 175.76 175.25 1fmd s HIS 57 N -2.58 2.97 -1.13 0.00 2.46 -1.26 -4.84 115.29 110.91 1fmd s HIS 57 Ca 0.62 0.74 0.03 0.00 0.47 0.00 0.00 55.06 56.92 1fmd s HIS 57 Cb -0.15 -3.95 0.14 0.00 -0.13 0.00 0.00 32.58 28.49 1fmd s HIS 57 CO 0.39 -3.35 1.05 0.36 -2.47 0.00 0.00 174.74 170.72 1fmd n LYS 58 N 3.13 0.01 -0.03 2.88 2.85 -1.26 -0.60 118.16 125.14 1fmd n LYS 58 Ca 0.11 0.39 0.03 0.00 -1.05 0.00 0.00 58.31 57.79 1fmd n LYS 58 Cb 0.38 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.31 1fmd n LYS 58 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1fmd n ASP 59 N -1.44 1.85 -4.76 -5.58 8.00 -1.26 -3.92 116.55 109.43 1fmd n ASP 59 Ca 0.01 -1.53 -0.39 0.00 0.71 0.00 0.00 54.79 53.59 1fmd n ASP 59 Cb 0.03 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 1fmd n ASP 59 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1fmd s ASN 60 N -0.67 7.11 0.10 -2.24 3.84 0.23 -4.81 114.94 118.50 1fmd s ASN 60 Ca 0.08 1.32 -0.15 0.00 0.21 0.00 0.00 52.86 54.33 1fmd s ASN 60 Cb 0.05 -2.42 0.00 0.00 -0.55 0.00 0.00 41.25 38.34 1fmd s ASN 60 CO 0.07 0.09 0.85 0.00 -2.79 0.00 0.00 177.10 175.32 1fmd n ILE 61 N 2.58 -0.35 0.18 -5.21 3.06 -1.26 0.80 119.36 119.16 1fmd n ILE 61 Ca -0.05 1.32 -0.15 0.00 -2.50 0.00 0.00 62.75 61.37 1fmd n ILE 61 Cb 0.50 -1.65 -0.08 0.00 0.54 0.00 0.00 39.64 38.95 1fmd n ILE 61 CO 0.00 0.00 0.00 0.58 -2.50 0.00 0.00 176.55 174.63 1fmd h VAL 62 N 0.00 0.72 -0.29 9.51 2.07 -1.91 0.72 116.25 127.07 1fmd h VAL 62 Ca 0.11 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1fmd h VAL 62 Cb 0.25 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1fmd h VAL 62 CO -0.52 0.02 -0.13 1.23 0.02 0.00 0.00 177.57 178.19 1fmd h GLY 63 N -0.47 0.53 0.87 2.17 0.00 -1.08 0.57 103.07 105.66 1fmd h GLY 63 Ca -0.04 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 1fmd h GLY 63 CO 0.07 0.34 -0.07 0.00 0.00 0.00 0.00 176.54 176.88 1fmd h ALA 64 N 1.41 0.37 -0.06 3.60 0.00 0.56 -1.42 119.26 123.73 1fmd h ALA 64 Ca 0.08 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 1fmd h ALA 64 Cb 0.50 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1fmd h ALA 64 CO 0.03 0.19 -0.72 -0.07 0.00 0.00 0.00 179.25 178.68 1fmd h LEU 65 N 0.28 0.37 -0.26 0.00 3.38 -0.52 -2.63 115.31 115.93 1fmd h LEU 65 Ca 0.07 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1fmd h LEU 65 Cb 0.55 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1fmd h LEU 65 CO 0.03 0.97 -0.01 0.25 0.09 0.00 0.00 178.44 179.77 1fmd h LEU 66 N 0.21 0.47 0.00 1.67 5.85 0.19 -2.50 115.31 121.19 1fmd h LEU 66 Ca -0.03 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1fmd h LEU 66 Cb 1.29 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1fmd h LEU 66 CO 0.12 0.67 0.00 0.54 -0.34 0.00 0.00 178.44 179.43 1fmd n ARG 67 N -4.60 0.21 -0.13 1.25 1.74 -0.54 -1.76 116.66 112.82 1fmd n ARG 67 Ca -0.03 0.14 0.05 0.00 -0.77 0.00 0.00 57.85 57.24 1fmd n ARG 67 Cb 0.26 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.36 1fmd n ARG 67 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fmd n ALA 68 N -1.23 2.47 -2.47 7.54 0.00 -0.94 -4.62 120.51 121.25 1fmd n ALA 68 Ca 0.06 -0.49 -0.12 0.00 0.00 0.00 0.00 53.44 52.89 1fmd n ALA 68 Cb 0.09 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.43 1fmd n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fmd s ALA 69 N -1.65 0.83 -0.20 0.00 0.00 -0.72 -0.78 121.76 119.24 1fmd s ALA 69 Ca 0.21 -1.11 0.16 0.00 0.00 0.00 0.00 51.96 51.22 1fmd s ALA 69 Cb 0.11 0.10 -0.24 0.00 0.00 0.00 0.00 23.12 23.09 1fmd s ALA 69 CO 0.15 -0.13 0.08 -2.37 0.00 0.00 0.00 175.76 173.48 1fmd n THR 70 N 0.60 1.41 -4.46 0.00 5.66 -0.20 -4.61 114.28 112.69 1fmd n THR 70 Ca -0.17 -0.83 -0.21 0.00 -3.05 0.00 0.00 64.05 59.79 1fmd n THR 70 Cb 0.58 -0.57 -0.14 0.00 -1.55 0.00 0.00 70.33 68.65 1fmd n THR 70 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1fmd s TYR 71 N -2.50 1.23 0.06 1.09 1.51 -0.91 -0.31 117.35 117.52 1fmd s TYR 71 Ca -0.12 -0.30 -0.12 0.00 -1.01 0.00 0.00 57.07 55.52 1fmd s TYR 71 Cb 0.06 -0.75 0.01 0.00 -0.11 0.00 0.00 41.96 41.17 1fmd s TYR 71 CO 0.81 0.01 0.26 1.52 -1.11 0.00 0.00 175.55 177.05 1fmd s TYR 72 N -0.64 -0.02 0.02 2.71 1.13 -0.21 -0.74 117.35 119.60 1fmd s TYR 72 Ca 0.03 -0.21 0.02 0.00 -1.41 0.00 0.00 57.07 55.49 1fmd s TYR 72 Cb -0.07 0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.82 1fmd s TYR 72 CO 0.01 -0.51 -0.06 0.12 -2.51 0.00 0.00 175.55 172.59 1fmd s PHE 73 N -2.95 0.51 -0.26 -3.49 2.19 -0.80 -1.04 117.98 112.14 1fmd s PHE 73 Ca -0.02 -0.35 -0.38 0.00 0.33 0.00 0.00 56.93 56.51 1fmd s PHE 73 Cb 0.01 -0.32 0.15 0.00 -1.31 0.00 0.00 43.02 41.55 1fmd s PHE 73 CO -0.06 -0.07 1.35 -1.54 1.83 0.00 0.00 175.22 176.73 1fmd s SER 74 N -1.05 -0.04 0.44 6.13 1.04 -1.26 -0.98 113.70 117.98 1fmd s SER 74 Ca -0.07 -0.00 0.05 0.00 0.48 0.00 0.00 55.95 56.41 1fmd s SER 74 Cb -0.07 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.10 1fmd s SER 74 CO 0.00 -0.07 0.62 -1.81 0.98 0.00 0.00 173.24 172.96 1fmd s ASP 75 N -2.09 5.63 0.18 7.02 1.01 0.71 -4.22 116.67 124.92 1fmd s ASP 75 Ca 0.11 -0.19 0.10 0.00 0.71 0.00 0.00 52.55 53.28 1fmd s ASP 75 Cb -0.01 -0.91 -0.04 0.00 1.01 0.00 0.00 42.92 42.97 1fmd s ASP 75 CO -0.03 -0.80 -0.20 -0.22 0.21 0.00 0.00 175.17 174.13 1fmd s LEU 76 N -4.45 2.45 -0.01 1.23 2.96 -0.02 -0.37 118.68 120.46 1fmd s LEU 76 Ca 0.53 -0.88 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1fmd s LEU 76 Cb -0.10 -0.95 -0.00 0.00 0.50 0.00 0.00 46.19 45.64 1fmd s LEU 76 CO 0.35 0.02 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.65 1fmd s GLU 77 N -2.82 0.41 0.06 1.98 2.12 -0.40 0.05 118.70 120.10 1fmd s GLU 77 Ca 0.18 -0.16 0.04 0.00 0.36 0.00 0.00 54.97 55.40 1fmd s GLU 77 Cb -0.06 -0.41 -0.03 0.00 0.26 0.00 0.00 34.13 33.89 1fmd s GLU 77 CO 0.08 0.08 -0.12 0.96 -0.54 0.00 0.00 175.26 175.72 1fmd s ILE 78 N 0.00 0.95 -0.23 -3.70 -4.36 0.22 -0.81 121.20 113.26 1fmd s ILE 78 Ca 0.00 -1.15 -0.01 0.00 -0.26 0.00 0.00 60.65 59.23 1fmd s ILE 78 Cb -0.03 -0.92 0.07 0.00 1.25 0.00 0.00 42.46 42.83 1fmd s ILE 78 CO -0.00 -0.21 0.01 0.00 0.24 0.00 0.00 174.94 174.99 1fmd s ALA 79 N -1.17 1.47 -0.10 2.27 0.00 -0.76 -1.06 121.76 122.42 1fmd s ALA 79 Ca -0.03 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.81 1fmd s ALA 79 Cb -0.09 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1fmd s ALA 79 CO 0.02 -1.27 -0.13 0.08 0.00 0.00 0.00 175.76 174.45 1fmd s VAL 80 N 1.63 3.14 -0.36 0.00 1.01 -0.59 -1.37 120.40 123.87 1fmd s VAL 80 Ca -0.01 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 1fmd s VAL 80 Cb -0.18 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.93 1fmd s VAL 80 CO -0.10 0.55 0.21 -0.89 0.00 0.00 0.00 175.10 174.87 1fmd s THR 81 N -0.15 4.71 0.32 3.92 2.01 -0.62 -0.52 115.64 125.31 1fmd s THR 81 Ca -0.00 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.37 1fmd s THR 81 Cb -0.13 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 1fmd s THR 81 CO 0.03 -0.15 0.32 0.00 -0.69 0.00 0.00 174.62 174.13 1fmd n HIS 82 N 5.02 -0.92 -4.26 4.92 -0.00 -1.26 -1.54 115.22 117.17 1fmd n HIS 82 Ca -0.12 -2.56 -0.18 0.00 -0.00 0.00 0.00 57.72 54.85 1fmd n HIS 82 Cb 0.47 0.34 -0.13 0.00 -0.00 0.00 0.00 29.99 30.68 1fmd n HIS 82 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1fmd s THR 83 N -3.16 0.95 0.00 0.61 2.01 0.39 -4.93 115.64 111.51 1fmd s THR 83 Ca 0.35 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.37 1fmd s THR 83 Cb 0.01 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 71.63 1fmd s THR 83 CO 0.25 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 1fmd n GLY 84 N 1.84 0.25 3.78 4.40 0.00 -1.26 -3.05 105.19 111.14 1fmd n GLY 84 Ca -0.19 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 1fmd n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fmd s LYS 85 N 0.00 4.15 -0.24 1.61 1.02 -1.26 -3.60 119.74 121.42 1fmd s LYS 85 Ca 0.00 0.44 -0.10 0.00 0.02 0.00 0.00 55.97 56.32 1fmd s LYS 85 Cb 0.00 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 1fmd s LYS 85 CO 0.00 0.43 0.16 -1.17 -0.92 0.00 0.00 175.35 173.84 1fmd s LEU 86 N -0.24 4.07 -0.05 3.17 2.96 -0.49 -3.92 118.68 124.18 1fmd s LEU 86 Ca 0.25 0.08 0.06 0.00 -0.22 0.00 0.00 54.13 54.30 1fmd s LEU 86 Cb -0.16 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 1fmd s LEU 86 CO 0.12 0.05 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.09 1fmd s THR 87 N 1.13 1.83 0.14 3.68 2.01 -0.22 0.42 115.64 124.63 1fmd s THR 87 Ca 0.07 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.20 1fmd s THR 87 Cb -0.14 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1fmd s THR 87 CO 0.05 0.51 -0.10 0.86 -0.69 0.00 0.00 174.62 175.26 1fmd s TRP 88 N -0.17 2.69 -0.00 4.92 -0.00 -0.07 -1.33 118.94 124.97 1fmd s TRP 88 Ca -0.02 -0.19 0.00 0.00 -0.00 0.00 0.00 56.10 55.90 1fmd s TRP 88 Cb -0.12 -1.36 0.00 0.00 -0.00 0.00 0.00 33.47 31.99 1fmd s TRP 88 CO 0.02 0.46 -0.00 0.08 -0.00 0.00 0.00 176.95 177.52 1fmd s VAL 89 N -1.44 0.02 0.49 5.86 1.01 -0.07 -3.82 120.40 122.45 1fmd s VAL 89 Ca 0.23 -0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.99 1fmd s VAL 89 Cb -0.10 -0.03 -0.07 0.00 0.00 0.00 0.00 36.38 36.17 1fmd s VAL 89 CO 0.14 0.01 1.11 -2.16 0.00 0.00 0.00 175.10 174.20 1fmd s PRO 90 N 0.05 3.68 0.08 2.72 0.04 -1.26 -0.99 135.00 139.32 1fmd s PRO 90 Ca -0.00 1.59 -0.35 0.00 0.04 0.00 0.00 61.00 62.27 1fmd s PRO 90 Cb -0.01 -2.21 -0.19 0.00 0.04 0.00 0.00 34.50 32.14 1fmd s PRO 90 CO -0.00 -0.57 0.86 -1.71 0.04 0.00 0.00 177.00 175.61 1fmd n ASN 91 N -0.83 -0.44 0.00 6.66 2.85 -1.26 -1.94 115.26 120.30 1fmd n ASN 91 Ca 0.09 1.15 0.00 0.00 -0.11 0.00 0.00 54.58 55.71 1fmd n ASN 91 Cb 0.50 -0.94 0.00 0.00 1.24 0.00 0.00 39.78 40.58 1fmd n ASN 91 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1fmd n GLY 92 N 1.72 0.55 3.80 8.20 0.00 -1.26 -4.97 105.19 113.23 1fmd n GLY 92 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1fmd n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fmd s ALA 93 N -2.15 3.47 0.30 4.61 0.00 -0.82 -5.00 121.76 122.17 1fmd s ALA 93 Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 51.96 51.87 1fmd s ALA 93 Cb 0.00 -2.83 -0.12 0.00 0.00 0.00 0.00 23.12 20.18 1fmd s ALA 93 CO 0.00 0.33 1.61 -2.30 0.00 0.00 0.00 175.76 175.40 1fmd n PRO 94 N 1.31 2.74 -0.22 0.00 -0.02 -1.26 -4.84 135.00 132.71 1fmd n PRO 94 Ca -0.06 0.97 0.19 0.00 -2.02 0.00 0.00 63.50 62.58 1fmd n PRO 94 Cb 0.50 -2.76 0.52 0.00 -0.02 0.00 0.00 33.50 31.74 1fmd n PRO 94 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1fmd h VAL 95 N 3.36 0.70 0.00 -1.45 3.04 -2.00 -0.38 116.25 119.52 1fmd h VAL 95 Ca -0.47 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 1fmd h VAL 95 Cb 1.22 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 1fmd h VAL 95 CO 0.79 0.07 0.32 0.77 -1.01 0.00 0.00 177.57 178.51 1fmd h SER 96 N 0.39 0.00 0.00 3.17 4.64 -2.04 -0.89 113.55 118.82 1fmd h SER 96 Ca 0.44 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.66 1fmd h SER 96 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1fmd h SER 96 CO -0.15 0.00 -0.29 0.00 -0.87 0.00 0.00 176.83 175.52 1fmd h ALA 97 N 1.31 1.10 -0.53 5.18 0.00 -1.41 -3.15 119.26 121.74 1fmd h ALA 97 Ca 0.00 -0.36 0.15 0.00 0.00 0.00 0.00 54.91 54.70 1fmd h ALA 97 Cb 0.64 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1fmd h ALA 97 CO 0.00 0.56 0.79 -0.07 0.00 0.00 0.00 179.25 180.53 1fmd h LEU 98 N 0.38 0.00 0.00 0.00 -0.00 -1.36 0.58 115.31 114.91 1fmd h LEU 98 Ca 0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.85 1fmd h LEU 98 Cb 0.71 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.35 1fmd h LEU 98 CO 0.05 0.00 -0.73 0.78 -0.00 0.00 0.00 178.44 178.55 1fmd h ASN 99 N 0.00 0.00 -3.45 -0.43 2.35 -1.78 -3.45 115.58 108.82 1fmd h ASN 99 Ca 0.25 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.48 1fmd h ASN 99 Cb 1.83 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.20 1fmd h ASN 99 CO -0.00 0.34 0.47 0.20 -1.65 0.00 0.00 177.43 176.79 1fmd s ASN 100 N -6.05 7.26 0.21 5.81 0.01 0.20 -4.96 114.94 117.43 1fmd s ASN 100 Ca 0.02 1.99 0.24 0.00 -0.71 0.00 0.00 52.86 54.40 1fmd s ASN 100 Cb 0.08 -2.59 0.32 0.00 0.41 0.00 0.00 41.25 39.46 1fmd s ASN 100 CO 0.76 -0.27 1.36 0.00 -1.51 0.00 0.00 177.10 177.44 1fmd h THR 101 N 4.08 0.00 0.00 1.60 1.03 -1.88 -3.29 112.91 114.44 1fmd h THR 101 Ca -0.43 -0.71 0.00 0.00 -0.01 0.00 0.00 66.41 65.25 1fmd h THR 101 Cb 1.21 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 69.70 1fmd h THR 101 CO 0.75 0.00 0.00 0.41 -0.01 0.00 0.00 175.52 176.67 1fmd n THR 102 N -2.46 0.13 -2.65 0.00 -1.04 -1.26 -4.23 114.28 102.78 1fmd n THR 102 Ca 0.03 0.03 -0.26 0.00 -2.04 0.00 0.00 64.05 61.81 1fmd n THR 102 Cb 0.48 -0.71 0.01 0.00 -1.82 0.00 0.00 70.33 68.29 1fmd n THR 102 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1fmd s ASN 103 N -2.19 5.97 -0.84 8.00 -0.87 -1.24 -4.89 114.94 118.89 1fmd s ASN 103 Ca 0.27 0.73 -0.22 0.00 -1.57 0.00 0.00 52.86 52.07 1fmd s ASN 103 Cb 0.14 -1.95 -0.20 0.00 -0.02 0.00 0.00 41.25 39.22 1fmd s ASN 103 CO 0.26 -0.74 2.39 -2.65 -2.57 0.00 0.00 177.10 173.78 1fmd n PRO 104 N -2.31 0.37 -4.82 -0.60 -0.02 -1.25 -4.82 135.00 121.55 1fmd n PRO 104 Ca 0.02 -0.27 -0.33 0.00 -2.02 0.00 0.00 63.50 60.90 1fmd n PRO 104 Cb 0.56 -2.40 -0.15 0.00 -0.02 0.00 0.00 33.50 31.50 1fmd n PRO 104 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1fmd s THR 105 N 8.65 2.82 -0.16 3.45 2.01 -1.26 -0.89 115.64 130.25 1fmd s THR 105 Ca 1.14 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 62.37 1fmd s THR 105 Cb -0.58 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 1fmd s THR 105 CO 0.34 0.53 -0.05 0.00 -0.69 0.00 0.00 174.62 174.75 1fmd s ALA 106 N 0.42 2.93 0.92 7.40 0.00 0.17 -4.93 121.76 128.67 1fmd s ALA 106 Ca -0.12 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 1fmd s ALA 106 Cb -0.16 -1.53 0.14 0.00 0.00 0.00 0.00 23.12 21.57 1fmd s ALA 106 CO 0.05 0.15 1.12 0.71 0.00 0.00 0.00 175.76 177.79 1fmd s TYR 107 N 0.48 2.43 0.38 0.00 1.51 -1.26 -1.40 117.35 119.49 1fmd s TYR 107 Ca -0.04 0.96 -0.25 0.00 -1.01 0.00 0.00 57.07 56.73 1fmd s TYR 107 Cb -0.15 -3.30 -0.09 0.00 -0.11 0.00 0.00 41.96 38.31 1fmd s TYR 107 CO 0.03 -2.43 1.05 -1.58 -1.11 0.00 0.00 175.55 171.51 1fmd s HIS 108 N -3.15 3.33 -0.29 2.71 2.46 -1.24 -4.86 115.29 114.26 1fmd s HIS 108 Ca 0.64 1.66 -0.01 0.00 0.47 0.00 0.00 55.06 57.81 1fmd s HIS 108 Cb -0.16 -3.14 0.19 0.00 -0.13 0.00 0.00 32.58 29.34 1fmd s HIS 108 CO 0.55 -0.58 0.78 0.21 -2.47 0.00 0.00 174.74 173.23 1fmd s LYS 109 N -2.32 0.38 0.81 2.88 2.20 -1.26 -5.10 119.74 117.33 1fmd s LYS 109 Ca 0.55 0.38 -0.12 0.00 -0.36 0.00 0.00 55.97 56.42 1fmd s LYS 109 Cb -0.23 0.17 0.08 0.00 -1.51 0.00 0.00 37.83 36.34 1fmd s LYS 109 CO 0.29 -0.72 1.12 0.20 -0.36 0.00 0.00 175.35 175.89 1fmd s GLY 110 N 2.88 1.61 -0.04 5.54 0.00 -1.26 -4.31 107.32 111.74 1fmd s GLY 110 Ca 0.18 -0.39 -0.10 0.00 0.00 0.00 0.00 44.72 44.40 1fmd s GLY 110 CO -0.25 0.07 0.49 -0.56 0.00 0.00 0.00 173.10 172.85 1fmd h PRO 111 N -1.10 -0.36 -6.58 2.90 0.13 -1.99 -3.49 132.00 121.51 1fmd h PRO 111 Ca -0.47 0.02 -0.44 0.00 -0.87 0.00 0.00 66.00 64.24 1fmd h PRO 111 Cb 1.29 0.08 0.03 0.00 0.13 0.00 0.00 31.00 32.53 1fmd h PRO 111 CO 0.62 -0.24 -0.18 0.14 -0.23 0.00 0.00 178.00 178.11 1fmd s VAL 112 N -2.78 3.40 -0.12 1.56 -7.23 -1.26 -4.33 120.40 109.64 1fmd s VAL 112 Ca -0.05 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 1fmd s VAL 112 Cb 0.01 -3.21 0.02 0.00 0.56 0.00 0.00 36.38 33.76 1fmd s VAL 112 CO 0.16 -0.12 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.84 1fmd s THR 113 N -2.47 1.25 -0.13 5.32 2.01 0.32 -4.83 115.64 117.11 1fmd s THR 113 Ca 0.52 -0.44 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 1fmd s THR 113 Cb -0.10 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 1fmd s THR 113 CO 0.35 0.40 -0.06 -0.60 -0.69 0.00 0.00 174.62 174.03 1fmd s ARG 114 N 1.53 3.42 0.08 4.92 3.52 -1.26 -1.54 118.95 129.62 1fmd s ARG 114 Ca 0.03 -0.55 0.02 0.00 -0.13 0.00 0.00 55.73 55.10 1fmd s ARG 114 Cb -0.13 -2.80 -0.04 0.00 -1.56 0.00 0.00 34.95 30.43 1fmd s ARG 114 CO -0.08 0.34 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.16 1fmd s LEU 115 N 0.08 2.41 -0.18 -0.88 1.43 -0.22 -4.99 118.68 116.34 1fmd s LEU 115 Ca -0.02 -0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 52.25 1fmd s LEU 115 Cb -0.14 -0.11 0.01 0.00 0.03 0.00 0.00 46.19 45.98 1fmd s LEU 115 CO 0.03 -0.36 -0.14 0.00 0.23 0.00 0.00 176.35 176.10 1fmd s ALA 116 N -2.76 2.51 0.02 4.21 0.00 -1.26 -0.61 121.76 123.86 1fmd s ALA 116 Ca 0.03 -1.16 0.08 0.00 0.00 0.00 0.00 51.96 50.92 1fmd s ALA 116 Cb -0.01 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 1fmd s ALA 116 CO -0.03 -0.28 -0.26 -0.51 0.00 0.00 0.00 175.76 174.68 1fmd s LEU 117 N 1.21 2.11 0.33 0.00 1.43 0.11 -4.99 118.68 118.89 1fmd s LEU 117 Ca 0.02 -0.53 -0.26 0.00 -1.03 0.00 0.00 54.13 52.34 1fmd s LEU 117 Cb -0.14 -1.28 -0.10 0.00 0.03 0.00 0.00 46.19 44.71 1fmd s LEU 117 CO -0.07 0.28 0.98 -2.16 0.23 0.00 0.00 176.35 175.61 1fmd s PRO 118 N -0.94 4.51 0.18 1.29 0.04 -1.26 -0.84 135.00 137.98 1fmd s PRO 118 Ca 0.11 1.41 -0.33 0.00 0.04 0.00 0.00 61.00 62.22 1fmd s PRO 118 Cb -0.10 -2.79 -0.14 0.00 0.04 0.00 0.00 34.50 31.52 1fmd s PRO 118 CO 0.01 0.19 1.53 0.98 0.04 0.00 0.00 177.00 179.75 1fmd n TYR 119 N 0.50 2.25 -0.95 0.56 4.19 -1.26 -4.79 117.16 117.66 1fmd n TYR 119 Ca 0.02 0.32 0.02 0.00 3.31 0.00 0.00 57.90 61.57 1fmd n TYR 119 Cb 0.49 -2.52 0.03 0.00 0.49 0.00 0.00 39.34 37.84 1fmd n TYR 119 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 1fmd n THR 120 N 2.96 0.71 -1.42 2.97 5.66 -1.26 -5.07 114.28 118.82 1fmd n THR 120 Ca 0.15 -0.79 -0.29 0.00 -3.05 0.00 0.00 64.05 60.07 1fmd n THR 120 Cb 0.29 0.47 0.17 0.00 -1.55 0.00 0.00 70.33 69.72 1fmd n THR 120 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1fmd s ALA 121 N -0.93 1.42 -0.59 1.79 0.00 -1.26 -4.40 121.76 117.78 1fmd s ALA 121 Ca 0.07 -0.70 0.14 0.00 0.00 0.00 0.00 51.96 51.47 1fmd s ALA 121 Cb 0.06 -2.97 0.42 0.00 0.00 0.00 0.00 23.12 20.63 1fmd s ALA 121 CO 0.01 -2.72 1.34 -0.35 0.00 0.00 0.00 175.76 174.05 1fmd n PRO 122 N -4.07 2.94 -3.97 0.00 -0.04 -1.26 -4.98 135.00 123.62 1fmd n PRO 122 Ca 0.09 -2.44 -0.21 0.00 -0.04 0.00 0.00 63.50 60.90 1fmd n PRO 122 Cb 0.59 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 1fmd n PRO 122 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1fmd s HIS 123 N -1.85 3.12 0.31 0.54 3.76 -1.26 -5.01 115.29 114.90 1fmd s HIS 123 Ca 0.33 -0.15 0.19 0.00 -0.15 0.00 0.00 55.06 55.27 1fmd s HIS 123 Cb 0.23 -1.57 0.90 0.00 1.11 0.00 0.00 32.58 33.25 1fmd s HIS 123 CO 0.13 0.39 1.86 0.07 -0.85 0.00 0.00 174.74 176.34 1fmd h ARG 124 N 1.34 0.00 -3.04 1.40 0.11 -2.00 -3.45 114.38 108.73 1fmd h ARG 124 Ca -0.48 0.00 0.02 0.00 0.10 0.00 0.00 59.98 59.62 1fmd h ARG 124 Cb 1.24 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.24 1fmd h ARG 124 CO 0.60 0.30 0.19 0.54 0.10 0.00 0.00 179.97 181.70 1fmd s VAL 125 N -4.00 0.00 0.53 0.08 0.11 -1.26 -4.98 120.40 110.88 1fmd s VAL 125 Ca -0.02 -0.60 0.05 0.00 -2.93 0.00 0.00 61.98 58.48 1fmd s VAL 125 Cb 0.13 -1.57 0.03 0.00 -1.53 0.00 0.00 36.38 33.43 1fmd s VAL 125 CO 0.67 -0.01 0.34 -0.76 -3.33 0.00 0.00 175.10 172.02 1fmd s LEU 126 N -2.85 2.71 0.16 2.54 1.43 -0.21 -4.94 118.68 117.51 1fmd s LEU 126 Ca 0.07 -1.26 0.06 0.00 -1.03 0.00 0.00 54.13 51.97 1fmd s LEU 126 Cb -0.03 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 1fmd s LEU 126 CO -0.02 -1.03 -0.13 0.00 0.23 0.00 0.00 176.35 175.40 1fmd s ALA 127 N -2.76 1.71 -0.17 4.21 0.00 -1.26 -1.04 121.76 122.45 1fmd s ALA 127 Ca 0.32 -1.51 0.06 0.00 0.00 0.00 0.00 51.96 50.84 1fmd s ALA 127 Cb -0.01 -0.05 -0.23 0.00 0.00 0.00 0.00 23.12 22.83 1fmd s ALA 127 CO 0.19 0.03 0.17 2.41 0.00 0.00 0.00 175.76 178.57 1fmd n THR 128 N -0.06 1.56 -4.05 0.00 -1.04 0.58 -4.92 114.28 106.34 1fmd n THR 128 Ca -0.11 -0.72 -0.02 0.00 -2.04 0.00 0.00 64.05 61.16 1fmd n THR 128 Cb 0.59 -1.16 -0.00 0.00 -1.82 0.00 0.00 70.33 67.94 1fmd n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fmd n ALA 129 N -2.92 0.03 0.00 2.41 0.00 -1.25 -5.04 120.51 113.74 1fmd n ALA 129 Ca -0.33 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1fmd n ALA 129 Cb 1.06 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.60 1fmd n ALA 129 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1fmd n TYR 130 N -0.09 0.00 -2.94 0.00 9.36 -1.26 -5.02 117.16 117.22 1fmd n TYR 130 Ca -0.01 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.95 1fmd n TYR 130 Cb 0.05 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.72 1fmd n TYR 130 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1fmd n THR 131 N -0.03 2.56 -1.67 2.97 -2.24 -1.26 -4.77 114.28 109.85 1fmd n THR 131 Ca 0.00 -5.38 -0.03 0.00 -2.27 0.00 0.00 64.05 56.38 1fmd n THR 131 Cb 0.00 -1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 67.00 1fmd n THR 131 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fmd n GLY 132 N -0.19 0.03 0.00 3.38 0.00 -1.26 -5.22 105.19 101.93 1fmd n GLY 132 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1fmd n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fmd n ALA 157 N 0.00 0.00 -3.60 4.61 0.00 -1.26 -5.11 120.51 115.15 1fmd n ALA 157 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.28 1fmd n ALA 157 Cb 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.78 1fmd n ALA 157 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1fmd s HIS 158 N -2.59 -0.96 0.33 0.00 0.00 -1.26 -5.14 115.29 105.67 1fmd s HIS 158 Ca 0.00 1.63 -0.29 0.00 -3.00 0.00 0.00 55.06 53.41 1fmd s HIS 158 Cb 0.00 0.39 -0.10 0.00 -4.00 0.00 0.00 32.58 28.87 1fmd s HIS 158 CO 0.00 -0.57 1.38 -0.51 -1.00 0.00 0.00 174.74 174.04 1fmd s LEU 159 N 2.68 4.39 0.53 5.38 1.02 -1.26 -4.99 118.68 126.43 1fmd s LEU 159 Ca 0.00 2.80 -0.20 0.00 0.02 0.00 0.00 54.13 56.75 1fmd s LEU 159 Cb -0.13 -3.65 -0.08 0.00 0.02 0.00 0.00 46.19 42.35 1fmd s LEU 159 CO -0.15 -0.66 0.82 -2.65 0.02 0.00 0.00 176.35 173.73 1fmd n PRO 160 N 0.94 0.88 -0.21 1.29 -0.02 -1.26 -4.93 135.00 131.69 1fmd n PRO 160 Ca 0.01 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.70 1fmd n PRO 160 Cb 0.41 -1.95 -0.09 0.00 -0.02 0.00 0.00 33.50 31.84 1fmd n PRO 160 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1fmd h THR 161 N 0.72 0.01 0.00 3.45 2.02 -2.05 -2.09 112.91 114.96 1fmd h THR 161 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1fmd h THR 161 Cb 1.37 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1fmd h THR 161 CO 0.51 0.00 0.31 0.77 0.37 0.00 0.00 175.52 177.48 1fmd h SER 162 N -0.28 0.00 0.00 4.18 4.64 -2.03 -3.35 113.55 116.71 1fmd h SER 162 Ca 0.11 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.93 1fmd h SER 162 Cb 0.55 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1fmd h SER 162 CO -0.69 0.00 2.85 0.49 -0.87 0.00 0.00 176.83 178.61 1fmd n PHE 163 N -2.17 1.70 -4.31 4.77 3.01 -0.79 -4.74 117.46 114.93 1fmd n PHE 163 Ca -0.01 -2.43 -0.17 0.00 1.01 0.00 0.00 57.45 55.85 1fmd n PHE 163 Cb 0.33 -2.04 -0.09 0.00 -0.01 0.00 0.00 39.48 37.67 1fmd n PHE 163 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1fmd s ASN 164 N 2.62 1.29 -0.20 4.37 2.20 -1.26 -4.86 114.94 119.11 1fmd s ASN 164 Ca 0.57 -1.53 0.15 0.00 -0.94 0.00 0.00 52.86 51.11 1fmd s ASN 164 Cb 0.16 0.37 0.46 0.00 -2.00 0.00 0.00 41.25 40.25 1fmd s ASN 164 CO -0.04 -0.88 1.36 0.49 -2.94 0.00 0.00 177.10 175.09 1fmd n PHE 165 N -0.52 0.72 0.00 1.54 3.72 -0.56 -4.23 117.46 118.13 1fmd n PHE 165 Ca 0.02 -1.12 0.00 0.00 -0.05 0.00 0.00 57.45 56.30 1fmd n PHE 165 Cb 0.65 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 1fmd n PHE 165 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fmd n GLY 166 N -0.91 -1.66 3.11 1.37 0.00 -1.26 -4.49 105.19 101.35 1fmd n GLY 166 Ca 0.23 -2.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 1fmd n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fmd s ALA 167 N -2.00 0.24 0.12 4.61 0.00 -0.16 -0.52 121.76 124.05 1fmd s ALA 167 Ca 0.00 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.09 1fmd s ALA 167 Cb 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 1fmd s ALA 167 CO 0.00 -0.38 -0.19 0.08 0.00 0.00 0.00 175.76 175.27 1fmd s VAL 168 N -3.56 1.68 -0.20 0.00 1.01 -0.22 -0.89 120.40 118.21 1fmd s VAL 168 Ca 0.03 -1.63 -0.11 0.00 0.00 0.00 0.00 61.98 60.28 1fmd s VAL 168 Cb 0.05 -1.59 0.07 0.00 0.00 0.00 0.00 36.38 34.90 1fmd s VAL 168 CO -0.09 -0.15 0.48 -0.75 0.00 0.00 0.00 175.10 174.59 1fmd s LYS 169 N -2.15 0.47 -0.04 2.72 2.20 -0.44 -0.74 119.74 121.75 1fmd s LYS 169 Ca 0.08 0.92 -0.08 0.00 -0.36 0.00 0.00 55.97 56.53 1fmd s LYS 169 Cb -0.09 0.05 0.01 0.00 -1.51 0.00 0.00 37.83 36.30 1fmd s LYS 169 CO 0.05 -0.16 0.20 0.00 -0.36 0.00 0.00 175.35 175.07 1fmd s ALA 170 N 1.55 -0.49 0.26 3.13 0.00 -0.80 -1.06 121.76 124.36 1fmd s ALA 170 Ca -0.09 0.31 0.11 0.00 0.00 0.00 0.00 51.96 52.28 1fmd s ALA 170 Cb -0.08 -0.14 0.85 0.00 0.00 0.00 0.00 23.12 23.76 1fmd s ALA 170 CO -0.15 -0.16 1.18 -1.91 0.00 0.00 0.00 175.76 174.72 1fmd n GLU 171 N 2.22 -0.05 -3.75 0.00 2.13 -1.18 -4.16 120.64 115.85 1fmd n GLU 171 Ca -0.17 1.06 -0.14 0.00 0.66 0.00 0.00 57.16 58.57 1fmd n GLU 171 Cb 0.57 -1.83 -0.15 0.00 0.27 0.00 0.00 31.44 30.31 1fmd n GLU 171 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1fmd s THR 172 N -5.32 -0.07 -0.51 6.31 2.01 -1.17 -4.87 115.64 112.02 1fmd s THR 172 Ca -0.08 0.21 0.04 0.00 0.31 0.00 0.00 61.69 62.17 1fmd s THR 172 Cb 0.24 -0.20 0.13 0.00 0.01 0.00 0.00 72.50 72.69 1fmd s THR 172 CO 0.58 0.09 0.27 -0.63 -0.69 0.00 0.00 174.62 174.23 1fmd s ILE 173 N 1.24 2.31 0.09 1.82 1.01 -1.26 -0.46 121.20 125.94 1fmd s ILE 173 Ca -0.08 -3.19 -0.21 0.00 0.00 0.00 0.00 60.65 57.17 1fmd s ILE 173 Cb -0.12 -2.60 -0.10 0.00 0.01 0.00 0.00 42.46 39.65 1fmd s ILE 173 CO -0.05 -0.84 1.64 0.74 0.00 0.00 0.00 174.94 176.44 1fmd h THR 174 N 5.37 1.14 -3.46 2.92 2.02 -1.64 -3.47 112.91 115.80 1fmd h THR 174 Ca -0.05 -0.42 -0.11 0.00 0.77 0.00 0.00 66.41 66.60 1fmd h THR 174 Cb 0.89 1.12 -0.18 0.00 -1.74 0.00 0.00 68.15 68.25 1fmd h THR 174 CO 0.64 0.13 -0.36 -0.70 0.37 0.00 0.00 175.52 175.60 1fmd s GLU 175 N -5.63 0.69 -0.04 6.66 2.12 -0.96 -4.97 118.70 116.57 1fmd s GLU 175 Ca -0.14 -0.55 -0.02 0.00 0.36 0.00 0.00 54.97 54.63 1fmd s GLU 175 Cb 0.07 0.29 0.02 0.00 0.26 0.00 0.00 34.13 34.78 1fmd s GLU 175 CO 0.70 -0.20 0.09 -1.17 -0.54 0.00 0.00 175.26 174.14 1fmd s LEU 176 N -1.95 1.19 0.09 2.70 2.96 -1.26 -1.59 118.68 120.82 1fmd s LEU 176 Ca -0.07 0.18 0.04 0.00 -0.22 0.00 0.00 54.13 54.07 1fmd s LEU 176 Cb -0.02 0.22 -0.03 0.00 0.50 0.00 0.00 46.19 46.85 1fmd s LEU 176 CO -0.03 -0.10 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.03 1fmd s LEU 177 N 0.70 2.34 0.06 -0.68 1.43 -0.47 -0.67 118.68 121.39 1fmd s LEU 177 Ca -0.06 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.35 1fmd s LEU 177 Cb -0.08 -0.40 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 1fmd s LEU 177 CO -0.03 -0.17 -0.06 0.68 0.23 0.00 0.00 176.35 177.00 1fmd s VAL 178 N -1.87 0.49 -0.03 -1.59 -7.23 -0.44 -1.83 120.40 107.90 1fmd s VAL 178 Ca 0.02 -1.40 0.01 0.00 -1.81 0.00 0.00 61.98 58.79 1fmd s VAL 178 Cb -0.06 -0.99 0.03 0.00 0.56 0.00 0.00 36.38 35.91 1fmd s VAL 178 CO 0.01 -0.62 -0.01 -0.60 -0.31 0.00 0.00 175.10 173.57 1fmd s ARG 179 N -2.51 0.45 -0.23 4.82 3.52 0.01 -0.86 118.95 124.16 1fmd s ARG 179 Ca -0.02 0.02 -0.20 0.00 -0.13 0.00 0.00 55.73 55.40 1fmd s ARG 179 Cb -0.03 -0.58 -0.02 0.00 -1.56 0.00 0.00 34.95 32.75 1fmd s ARG 179 CO -0.03 -0.12 0.60 -1.64 -0.81 0.00 0.00 175.30 173.30 1fmd s MET 180 N 0.98 4.15 0.04 5.12 -1.94 -1.25 -1.27 119.30 125.14 1fmd s MET 180 Ca -0.10 0.52 0.04 0.00 -1.71 0.00 0.00 55.69 54.44 1fmd s MET 180 Cb -0.14 -3.61 -0.04 0.00 2.01 0.00 0.00 34.83 33.06 1fmd s MET 180 CO -0.01 -0.30 -0.04 0.15 -0.01 0.00 0.00 175.02 174.81 1fmd s LYS 181 N 2.12 2.55 -1.61 2.03 -0.14 0.50 -3.83 119.74 121.36 1fmd s LYS 181 Ca 0.26 -0.76 0.00 0.00 -1.36 0.00 0.00 55.97 54.11 1fmd s LYS 181 Cb -0.16 -2.53 0.00 0.00 -1.68 0.00 0.00 37.83 33.47 1fmd s LYS 181 CO 0.09 0.58 0.00 0.54 -0.76 0.00 0.00 175.35 175.80 1fmd n ARG 182 N 1.17 -1.12 -1.61 1.68 1.74 -1.26 -0.20 116.66 117.05 1fmd n ARG 182 Ca -0.14 1.00 -0.47 0.00 -0.77 0.00 0.00 57.85 57.47 1fmd n ARG 182 Cb 0.52 -5.20 -0.03 0.00 -1.02 0.00 0.00 32.46 26.73 1fmd n ARG 182 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fmd n ALA 183 N 0.73 -0.03 -3.09 7.54 0.00 -1.26 -4.60 120.51 119.81 1fmd n ALA 183 Ca -0.16 0.44 -0.22 0.00 0.00 0.00 0.00 53.44 53.49 1fmd n ALA 183 Cb 0.54 -2.12 -0.16 0.00 0.00 0.00 0.00 19.45 17.71 1fmd n ALA 183 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1fmd s GLU 184 N -0.52 1.25 0.05 0.00 2.02 -0.15 -4.31 118.70 117.03 1fmd s GLU 184 Ca 0.70 -0.38 0.07 0.00 0.02 0.00 0.00 54.97 55.37 1fmd s GLU 184 Cb -0.76 -1.12 -0.02 0.00 0.10 0.00 0.00 34.13 32.32 1fmd s GLU 184 CO 0.52 0.12 -0.19 -0.51 0.02 0.00 0.00 175.26 175.23 1fmd s LEU 185 N 0.25 2.18 -0.02 1.80 1.43 -1.26 -1.91 118.68 121.15 1fmd s LEU 185 Ca -0.05 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1fmd s LEU 185 Cb -0.11 -0.85 0.01 0.00 0.03 0.00 0.00 46.19 45.28 1fmd s LEU 185 CO 0.01 0.11 -0.01 -0.31 0.23 0.00 0.00 176.35 176.38 1fmd s TYR 186 N -0.84 0.32 0.04 0.29 1.51 0.08 -5.00 117.35 113.74 1fmd s TYR 186 Ca 0.06 -0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.09 1fmd s TYR 186 Cb -0.09 -0.33 0.00 0.00 -0.11 0.00 0.00 41.96 41.44 1fmd s TYR 186 CO 0.02 -0.08 0.00 0.00 -1.11 0.00 0.00 175.55 174.38 1fmd s PRO 188 N -1.14 4.37 0.32 0.00 0.02 -1.26 -1.03 135.00 136.28 1fmd s PRO 188 Ca 0.00 1.13 0.09 0.00 0.02 0.00 0.00 61.00 62.24 1fmd s PRO 188 Cb 0.00 -2.60 -0.05 0.00 0.02 0.00 0.00 34.50 31.87 1fmd s PRO 188 CO 0.00 0.20 -0.02 1.03 -0.33 0.00 0.00 177.00 177.88 1fmd s ARG 189 N -2.46 2.07 1.02 5.54 0.52 0.04 -4.84 118.95 120.84 1fmd s ARG 189 Ca 0.53 -1.69 -0.12 0.00 -0.52 0.00 0.00 55.73 53.92 1fmd s ARG 189 Cb -0.15 -1.95 0.20 0.00 0.52 0.00 0.00 34.95 33.58 1fmd s ARG 189 CO 0.20 0.20 1.08 -2.14 0.02 0.00 0.00 175.30 174.65 1fmd s PRO 190 N -3.68 0.23 -0.28 3.54 0.02 -1.26 -4.55 135.00 129.02 1fmd s PRO 190 Ca 0.34 0.65 -0.02 0.00 0.02 0.00 0.00 61.00 61.99 1fmd s PRO 190 Cb -0.02 -1.70 0.17 0.00 0.02 0.00 0.00 34.50 32.97 1fmd s PRO 190 CO 0.19 -2.90 0.53 -1.50 -0.33 0.00 0.00 177.00 172.98 1fmd s ILE 191 N -2.84 -0.86 0.11 2.83 2.07 -1.26 -4.46 121.20 116.78 1fmd s ILE 191 Ca 0.66 -0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.91 1fmd s ILE 191 Cb -0.20 -0.93 -0.04 0.00 0.13 0.00 0.00 42.46 41.42 1fmd s ILE 191 CO 0.59 -0.04 0.15 -0.76 -1.91 0.00 0.00 174.94 172.98 1fmd s LEU 192 N 2.75 4.00 0.00 8.50 2.01 -1.26 -5.13 118.68 129.55 1fmd s LEU 192 Ca 0.16 0.05 0.00 0.00 0.01 0.00 0.00 54.13 54.35 1fmd s LEU 192 Cb -0.15 -2.63 0.00 0.00 0.01 0.00 0.00 46.19 43.42 1fmd s LEU 192 CO -0.19 0.13 0.00 -0.81 1.01 0.00 0.00 176.35 176.49 1fmd n PRO 193 N 0.07 3.56 -3.78 1.29 -0.04 -1.26 -5.09 135.00 129.76 1fmd n PRO 193 Ca -0.07 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.05 1fmd n PRO 193 Cb 0.53 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.94 1fmd n PRO 193 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1fmd s ILE 194 N 2.88 5.31 -0.42 0.52 -1.09 -1.26 -5.05 121.20 122.08 1fmd s ILE 194 Ca 0.00 0.08 -0.24 0.00 -2.23 0.00 0.00 60.65 58.26 1fmd s ILE 194 Cb 0.00 -3.57 0.02 0.00 -1.58 0.00 0.00 42.46 37.33 1fmd s ILE 194 CO 0.00 0.32 0.82 -1.58 -1.23 0.00 0.00 174.94 173.26 1fmd s GLN 195 N -1.91 3.57 0.42 2.79 2.00 -1.26 -5.02 119.66 120.25 1fmd s GLN 195 Ca 0.29 0.13 -0.24 0.00 -2.00 0.00 0.00 55.36 53.54 1fmd s GLN 195 Cb -0.13 -3.88 -0.08 0.00 0.80 0.00 0.00 33.01 29.71 1fmd s GLN 195 CO 0.18 -1.04 1.11 -1.25 -0.50 0.00 0.00 175.29 173.79 1fmd s PRO 196 N 3.33 4.02 0.01 1.67 0.04 -1.26 -4.97 135.00 137.84 1fmd s PRO 196 Ca 0.32 1.67 -0.25 0.00 0.04 0.00 0.00 61.00 62.77 1fmd s PRO 196 Cb -0.12 -2.54 -0.17 0.00 0.04 0.00 0.00 34.50 31.72 1fmd s PRO 196 CO 0.21 -0.30 1.26 0.00 0.04 0.00 0.00 177.00 178.21 1fmd h THR 197 N 2.13 0.68 -0.61 1.26 1.03 -1.96 -3.47 112.91 111.97 1fmd h THR 197 Ca -0.49 -0.55 0.00 0.00 -0.01 0.00 0.00 66.41 65.36 1fmd h THR 197 Cb 1.23 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 69.26 1fmd h THR 197 CO 0.62 0.11 0.00 0.61 -0.01 0.00 0.00 175.52 176.84 1fmd n GLY 198 N -0.38 1.80 0.20 2.99 0.00 -1.26 -5.00 105.19 103.54 1fmd n GLY 198 Ca -0.10 -1.81 0.06 0.00 0.00 0.00 0.00 46.02 44.18 1fmd n GLY 198 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1fmd h ASP 199 N 0.00 0.00 -5.15 1.61 5.19 -2.04 -3.45 116.42 112.58 1fmd h ASP 199 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 1fmd h ASP 199 Cb 0.00 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.41 1fmd h ASP 199 CO 0.00 0.33 -0.05 0.00 -3.12 0.00 0.00 179.24 176.40 1fmd s ARG 200 N -3.91 1.40 -0.74 3.56 1.70 -1.26 -5.07 118.95 114.64 1fmd s ARG 200 Ca -0.01 -1.01 -0.13 0.00 -0.47 0.00 0.00 55.73 54.10 1fmd s ARG 200 Cb 0.12 0.49 0.19 0.00 -0.57 0.00 0.00 34.95 35.19 1fmd s ARG 200 CO 0.68 -0.58 0.66 -1.58 -1.08 0.00 0.00 175.30 173.40 1fmd s HIS 201 N -3.93 3.62 0.40 5.89 5.65 -1.26 -4.71 115.29 120.95 1fmd s HIS 201 Ca 0.14 -1.93 -0.18 0.00 0.25 0.00 0.00 55.06 53.34 1fmd s HIS 201 Cb -0.00 -3.74 -0.10 0.00 -1.18 0.00 0.00 32.58 27.56 1fmd s HIS 201 CO 0.01 -0.98 0.87 0.15 -0.65 0.00 0.00 174.74 174.14 1fmd s LYS 202 N 0.47 4.11 0.14 2.88 1.02 -1.26 -5.08 119.74 122.01 1fmd s LYS 202 Ca 0.14 0.92 -0.25 0.00 0.02 0.00 0.00 55.97 56.80 1fmd s LYS 202 Cb -0.16 -2.27 0.07 0.00 -0.52 0.00 0.00 37.83 34.95 1fmd s LYS 202 CO -0.06 0.01 1.02 1.14 -0.92 0.00 0.00 175.35 176.54 1fmd s GLN 203 N -3.22 1.11 -0.17 1.68 -2.07 -1.26 -5.14 119.66 110.58 1fmd s GLN 203 Ca 0.59 -0.63 -0.29 0.00 -1.82 0.00 0.00 55.36 53.20 1fmd s GLN 203 Cb -0.10 0.36 -0.00 0.00 -1.09 0.00 0.00 33.01 32.19 1fmd s GLN 203 CO 0.17 -0.51 1.09 -1.25 -1.32 0.00 0.00 175.29 173.47 1fmd s PRO 204 N -3.00 4.30 0.07 9.60 0.04 -1.26 -5.03 135.00 139.72 1fmd s PRO 204 Ca 0.14 1.45 0.05 0.00 0.04 0.00 0.00 61.00 62.69 1fmd s PRO 204 Cb -0.01 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 1fmd s PRO 204 CO 0.02 -0.55 -0.05 -0.51 0.04 0.00 0.00 177.00 175.94 1fmd s LEU 205 N 2.89 3.24 -0.39 -3.56 1.02 -1.26 -5.04 118.68 115.58 1fmd s LEU 205 Ca 0.48 -0.24 -0.41 0.00 0.02 0.00 0.00 54.13 53.98 1fmd s LEU 205 Cb -0.18 -1.97 -0.16 0.00 0.02 0.00 0.00 46.19 43.90 1fmd s LEU 205 CO 0.12 0.21 1.92 0.52 0.02 0.00 0.00 176.35 179.14 1fmd n VAL 206 N 0.89 0.16 -4.21 -1.59 0.31 -1.26 -4.95 118.33 107.67 1fmd n VAL 206 Ca -0.13 -0.08 -0.12 0.00 -0.01 0.00 0.00 64.34 63.99 1fmd n VAL 206 Cb 0.52 -1.03 -0.10 0.00 -0.91 0.00 0.00 33.84 32.32 1fmd n VAL 206 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fmd s ALA 207 N 4.96 1.22 0.70 3.52 0.00 -1.26 -5.15 121.76 125.75 1fmd s ALA 207 Ca 1.07 -1.47 -0.13 0.00 0.00 0.00 0.00 51.96 51.43 1fmd s ALA 207 Cb -1.19 0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.23 1fmd s ALA 207 CO 0.65 -0.24 1.08 -1.25 0.00 0.00 0.00 175.76 176.00 1fmd s PRO 208 N -3.85 2.71 0.18 0.00 0.04 -1.26 -4.95 135.00 127.87 1fmd s PRO 208 Ca 0.18 1.19 -0.32 0.00 0.04 0.00 0.00 61.00 62.09 1fmd s PRO 208 Cb 0.05 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 1fmd s PRO 208 CO -0.00 -1.29 1.61 0.00 0.04 0.00 0.00 177.00 177.35 1fmd s ALA 209 N -2.71 3.82 0.17 8.56 0.00 -1.26 -4.92 121.76 125.44 1fmd s ALA 209 Ca 0.62 1.43 -0.24 0.00 0.00 0.00 0.00 51.96 53.78 1fmd s ALA 209 Cb -0.17 -3.64 0.07 0.00 0.00 0.00 0.00 23.12 19.38 1fmd s ALA 209 CO 0.49 -0.82 1.58 1.57 0.00 0.00 0.00 175.76 178.57 1fmd h LYS 210 N 6.78 -0.20 0.00 0.00 -0.00 -2.08 -3.58 116.57 117.49 1fmd h LYS 210 Ca -0.43 0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.24 1fmd h LYS 210 Cb 1.20 0.05 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 1fmd h LYS 210 CO 0.93 -0.14 0.00 1.04 -0.00 0.00 0.00 179.45 181.28