#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nmd s GLU 4 N 0.00 2.98 0.05 7.34 8.01 -1.26 -4.99 118.70 130.84 1nmd s GLU 4 Ca 0.00 1.66 -0.01 0.00 0.01 0.00 0.00 54.97 56.63 1nmd s GLU 4 Cb 0.00 -4.36 -0.04 0.00 -4.31 0.00 0.00 34.13 25.42 1nmd s GLU 4 CO 0.00 -2.28 0.23 -1.58 0.01 0.00 0.00 175.26 171.64 1nmd s HIS 5 N 8.61 3.52 0.30 1.61 5.04 -1.26 -4.98 115.29 128.13 1nmd s HIS 5 Ca 0.92 0.33 0.05 0.00 -1.54 0.00 0.00 55.06 54.81 1nmd s HIS 5 Cb -0.26 -1.82 0.77 0.00 0.04 0.00 0.00 32.58 31.32 1nmd s HIS 5 CO 0.32 0.58 1.67 -1.35 -2.34 0.00 0.00 174.74 173.62 1nmd h PRO 6 N 3.23 0.29 0.00 2.88 0.11 -1.99 0.59 132.00 137.11 1nmd h PRO 6 Ca -0.46 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1nmd h PRO 6 Cb 1.17 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1nmd h PRO 6 CO 0.74 0.19 -0.25 0.93 -0.21 0.00 0.00 178.00 179.40 1nmd h GLU 7 N 0.29 0.00 -0.14 1.05 4.39 -1.95 -2.50 114.58 115.72 1nmd h GLU 7 Ca 0.58 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 60.16 1nmd h GLU 7 Cb 1.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1nmd h GLU 7 CO -0.60 0.25 -0.44 0.74 -1.16 0.00 0.00 179.01 177.79 1nmd h PHE 8 N 0.00 0.41 -0.06 4.33 -1.00 -0.20 -1.41 116.94 119.01 1nmd h PHE 8 Ca -0.00 -0.12 -0.03 0.00 2.81 0.00 0.00 57.97 60.62 1nmd h PHE 8 Cb 0.62 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.09 1nmd h PHE 8 CO 0.00 0.73 -0.11 -0.07 -1.61 0.00 0.00 178.31 177.26 1nmd h LEU 9 N 0.28 0.08 0.00 1.54 3.38 -0.97 -2.64 115.31 116.98 1nmd h LEU 9 Ca 0.02 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 1nmd h LEU 9 Cb 0.90 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1nmd h LEU 9 CO 0.07 0.20 -1.24 0.11 0.09 0.00 0.00 178.44 177.68 1nmd h LYS 10 N 0.09 0.00 -6.57 1.13 1.57 -1.39 -3.47 116.57 107.92 1nmd h LYS 10 Ca 0.02 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.21 1nmd h LYS 10 Cb 0.25 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.64 1nmd h LYS 10 CO 0.02 0.69 0.63 0.00 -0.57 0.00 0.00 179.45 180.22 1nmd n ALA 11 N -2.41 1.10 -3.18 3.86 0.00 -0.58 -3.55 120.51 115.75 1nmd n ALA 11 Ca -0.07 0.42 -0.22 0.00 0.00 0.00 0.00 53.44 53.57 1nmd n ALA 11 Cb 0.95 -2.28 0.01 0.00 0.00 0.00 0.00 19.45 18.13 1nmd n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nmd n GLY 12 N 2.29 -0.50 0.15 0.00 0.00 -1.26 -4.90 105.19 100.98 1nmd n GLY 12 Ca 0.12 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 1nmd n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nmd h LYS 13 N -0.99 0.51 -4.97 1.61 1.57 -1.91 -3.47 116.57 108.92 1nmd h LYS 13 Ca -0.44 -0.74 -0.32 0.00 -1.87 0.00 0.00 60.65 57.28 1nmd h LYS 13 Cb 1.30 0.25 -0.15 0.00 0.08 0.00 0.00 32.23 33.72 1nmd h LYS 13 CO 0.52 1.33 -0.68 -1.21 -0.57 0.00 0.00 179.45 178.84 1nmd s GLU 14 N -2.80 1.13 0.41 3.15 2.02 -1.26 -5.07 118.70 116.29 1nmd s GLU 14 Ca -0.11 -1.53 -0.27 0.00 0.02 0.00 0.00 54.97 53.09 1nmd s GLU 14 Cb 0.04 -0.50 -0.10 0.00 0.10 0.00 0.00 34.13 33.67 1nmd s GLU 14 CO 0.90 -0.03 1.47 -2.30 0.02 0.00 0.00 175.26 175.32 1nmd n PRO 15 N -0.26 2.52 -1.79 0.39 -0.02 -1.26 -4.72 135.00 129.85 1nmd n PRO 15 Ca -0.08 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1nmd n PRO 15 Cb 0.62 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1nmd n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nmd n GLY 16 N 0.50 0.23 3.19 -1.23 0.00 0.11 -4.95 105.19 103.04 1nmd n GLY 16 Ca 0.03 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 1nmd n GLY 16 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nmd s LEU 17 N 0.00 2.02 -0.03 0.99 2.96 -1.26 -0.30 118.68 123.05 1nmd s LEU 17 Ca 0.00 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1nmd s LEU 17 Cb 0.00 -1.01 0.01 0.00 0.50 0.00 0.00 46.19 45.68 1nmd s LEU 17 CO 0.00 0.23 -0.10 -1.10 -1.32 0.00 0.00 176.35 174.06 1nmd s GLN 18 N -0.38 1.10 -0.04 1.98 -0.21 -0.17 -5.00 119.66 116.95 1nmd s GLN 18 Ca 0.05 -0.32 0.03 0.00 0.02 0.00 0.00 55.36 55.14 1nmd s GLN 18 Cb -0.08 -1.00 0.01 0.00 1.00 0.00 0.00 33.01 32.93 1nmd s GLN 18 CO -0.00 0.09 -0.11 0.42 -2.12 0.00 0.00 175.29 173.57 1nmd s ILE 19 N 0.31 0.96 0.05 1.08 1.01 -1.26 -0.87 121.20 122.48 1nmd s ILE 19 Ca -0.06 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.20 1nmd s ILE 19 Cb -0.10 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 1nmd s ILE 19 CO 0.01 0.30 -0.12 0.26 0.00 0.00 0.00 174.94 175.39 1nmd s TRP 20 N 0.32 1.07 0.00 3.97 0.51 0.02 -1.32 118.94 123.50 1nmd s TRP 20 Ca -0.06 -0.39 0.03 0.00 -2.12 0.00 0.00 56.10 53.55 1nmd s TRP 20 Cb -0.11 -0.62 -0.03 0.00 -0.81 0.00 0.00 33.47 31.89 1nmd s TRP 20 CO 0.01 0.02 -0.05 0.50 -0.51 0.00 0.00 176.95 176.92 1nmd s ARG 21 N -1.32 2.62 -0.14 4.98 3.52 0.28 -0.50 118.95 128.39 1nmd s ARG 21 Ca -0.02 -0.69 -0.29 0.00 -0.13 0.00 0.00 55.73 54.60 1nmd s ARG 21 Cb -0.08 -2.55 -0.01 0.00 -1.56 0.00 0.00 34.95 30.74 1nmd s ARG 21 CO 0.01 0.61 1.14 0.08 -0.81 0.00 0.00 175.30 176.33 1nmd s VAL 22 N -1.02 4.48 -0.24 7.11 1.01 -0.18 -0.66 120.40 130.89 1nmd s VAL 22 Ca 0.18 1.78 -0.02 0.00 0.00 0.00 0.00 61.98 63.92 1nmd s VAL 22 Cb -0.11 -4.15 0.08 0.00 0.00 0.00 0.00 36.38 32.20 1nmd s VAL 22 CO 0.08 -0.08 0.06 -1.61 0.00 0.00 0.00 175.10 173.55 1nmd s GLU 23 N 2.79 0.68 -1.10 2.72 2.02 0.53 -4.69 118.70 121.64 1nmd s GLU 23 Ca 0.51 -0.68 -0.19 0.00 0.02 0.00 0.00 54.97 54.64 1nmd s GLU 23 Cb -0.20 -2.01 -0.01 0.00 0.10 0.00 0.00 34.13 32.01 1nmd s GLU 23 CO 0.15 -0.79 0.79 1.63 0.02 0.00 0.00 175.26 177.06 1nmd n LYS 24 N 4.98 -1.25 -1.23 1.61 4.01 -1.26 -2.03 118.16 122.98 1nmd n LYS 24 Ca -0.07 0.54 -0.08 0.00 -0.51 0.00 0.00 58.31 58.19 1nmd n LYS 24 Cb 0.45 -4.15 -0.03 0.00 -0.51 0.00 0.00 35.03 30.78 1nmd n LYS 24 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1nmd n PHE 25 N -3.95 0.00 -4.26 2.13 3.01 -1.26 -4.97 117.46 108.16 1nmd n PHE 25 Ca -0.10 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.19 1nmd n PHE 25 Cb 0.59 -2.08 -0.11 0.00 -0.01 0.00 0.00 39.48 37.87 1nmd n PHE 25 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1nmd s ASP 26 N -2.45 2.09 -0.43 4.37 2.15 -0.86 -5.12 116.67 116.41 1nmd s ASP 26 Ca 0.00 -0.87 -0.18 0.00 0.43 0.00 0.00 52.55 51.93 1nmd s ASP 26 Cb 0.00 -0.07 0.03 0.00 -0.30 0.00 0.00 42.92 42.57 1nmd s ASP 26 CO 0.00 -0.17 0.49 -0.22 -0.17 0.00 0.00 175.17 175.10 1nmd s LEU 27 N -2.69 4.83 -0.15 -1.34 2.96 -1.26 -0.35 118.68 120.67 1nmd s LEU 27 Ca 0.12 -0.65 -0.03 0.00 -0.22 0.00 0.00 54.13 53.36 1nmd s LEU 27 Cb -0.03 -2.45 -0.02 0.00 0.50 0.00 0.00 46.19 44.19 1nmd s LEU 27 CO 0.03 -0.64 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.66 1nmd s VAL 28 N 2.29 3.59 0.44 1.68 1.01 0.16 -4.92 120.40 124.64 1nmd s VAL 28 Ca 0.14 -0.46 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 1nmd s VAL 28 Cb -0.17 -2.56 -0.08 0.00 0.00 0.00 0.00 36.38 33.57 1nmd s VAL 28 CO 0.14 0.50 1.25 -2.16 0.00 0.00 0.00 175.10 174.84 1nmd s PRO 29 N 0.41 3.83 -0.02 2.72 0.04 -1.26 0.10 135.00 140.82 1nmd s PRO 29 Ca -0.06 2.02 -0.18 0.00 0.04 0.00 0.00 61.00 62.82 1nmd s PRO 29 Cb -0.15 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.74 1nmd s PRO 29 CO 0.04 -0.57 0.52 0.08 0.04 0.00 0.00 177.00 177.11 1nmd s VAL 30 N -1.36 4.97 0.21 -0.36 1.01 -0.44 -4.74 120.40 119.69 1nmd s VAL 30 Ca 0.60 1.07 -0.32 0.00 0.00 0.00 0.00 61.98 63.33 1nmd s VAL 30 Cb -0.35 -3.84 -0.12 0.00 0.00 0.00 0.00 36.38 32.06 1nmd s VAL 30 CO 0.44 0.46 1.67 -2.65 0.00 0.00 0.00 175.10 175.01 1nmd n PRO 31 N 2.54 2.61 -0.16 2.72 -0.02 -1.26 -4.82 135.00 136.61 1nmd n PRO 31 Ca -0.09 0.94 0.29 0.00 -2.02 0.00 0.00 63.50 62.61 1nmd n PRO 31 Cb 0.51 -2.75 0.70 0.00 -0.02 0.00 0.00 33.50 31.94 1nmd n PRO 31 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1nmd h THR 32 N 3.67 0.32 0.00 3.45 1.35 -1.95 0.47 112.91 120.22 1nmd h THR 32 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1nmd h THR 32 Cb 1.22 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1nmd h THR 32 CO 0.91 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.72 1nmd n ASN 33 N -3.85 0.11 -0.76 5.36 6.94 -1.26 -2.76 115.26 119.03 1nmd n ASN 33 Ca 0.19 0.52 0.08 0.00 -0.02 0.00 0.00 54.58 55.35 1nmd n ASN 33 Cb 1.08 -0.54 0.12 0.00 -2.36 0.00 0.00 39.78 38.08 1nmd n ASN 33 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1nmd n LEU 34 N -1.61 2.71 -4.68 -4.53 4.32 0.16 -4.99 117.00 108.38 1nmd n LEU 34 Ca 0.05 -1.33 -0.45 0.00 -0.02 0.00 0.00 56.01 54.25 1nmd n LEU 34 Cb 0.26 -0.11 -0.04 0.00 -1.62 0.00 0.00 43.42 41.91 1nmd n LEU 34 CO 0.20 0.56 1.30 -1.22 -1.22 0.00 0.00 177.39 177.02 1nmd n TYR 35 N 0.95 2.40 0.00 -1.77 4.02 -1.11 -1.56 117.16 120.08 1nmd n TYR 35 Ca 0.12 0.14 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 1nmd n TYR 35 Cb 0.45 -2.60 0.00 0.00 -0.02 0.00 0.00 39.34 37.16 1nmd n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nmd n GLY 36 N 3.75 2.54 3.30 2.72 0.00 -1.26 -5.01 105.19 111.22 1nmd n GLY 36 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 1nmd n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nmd s ASP 37 N -1.36 6.45 -0.21 1.61 1.01 -0.60 0.03 116.67 123.60 1nmd s ASP 37 Ca 0.00 -2.50 -0.17 0.00 0.71 0.00 0.00 52.55 50.60 1nmd s ASP 37 Cb 0.00 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 1nmd s ASP 37 CO 0.00 -0.61 0.43 -0.36 0.21 0.00 0.00 175.17 174.84 1nmd s PHE 38 N 0.48 3.36 -0.01 4.23 0.40 -0.56 -4.92 117.98 120.96 1nmd s PHE 38 Ca 0.14 0.65 -0.30 0.00 -0.60 0.00 0.00 56.93 56.82 1nmd s PHE 38 Cb -0.16 -2.57 -0.05 0.00 0.51 0.00 0.00 43.02 40.75 1nmd s PHE 38 CO -0.06 -0.05 1.27 -0.06 0.70 0.00 0.00 175.22 177.02 1nmd s PHE 39 N 1.47 3.12 -1.19 0.36 2.99 -1.26 -1.01 117.98 122.46 1nmd s PHE 39 Ca 0.20 1.09 0.17 0.00 0.00 0.00 0.00 56.93 58.40 1nmd s PHE 39 Cb -0.15 -3.51 0.81 0.00 0.00 0.00 0.00 43.02 40.17 1nmd s PHE 39 CO 0.09 -1.72 1.54 0.25 -0.00 0.00 0.00 175.22 175.38 1nmd n THR 40 N 4.49 0.66 0.32 0.64 -2.24 -0.18 -2.07 114.28 115.90 1nmd n THR 40 Ca 0.11 0.17 0.11 0.00 -2.27 0.00 0.00 64.05 62.17 1nmd n THR 40 Cb 0.45 -0.87 0.26 0.00 -2.10 0.00 0.00 70.33 68.07 1nmd n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nmd n GLY 41 N 0.26 1.63 3.63 3.38 0.00 -0.16 -0.49 105.19 113.44 1nmd n GLY 41 Ca 0.06 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 1nmd n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nmd s ASP 42 N -1.35 3.54 0.03 1.61 -0.00 -0.88 -3.53 116.67 116.09 1nmd s ASP 42 Ca 0.39 -1.52 0.06 0.00 -0.00 0.00 0.00 52.55 51.49 1nmd s ASP 42 Cb 0.22 0.13 -0.02 0.00 -0.00 0.00 0.00 42.92 43.25 1nmd s ASP 42 CO 0.30 -0.70 -0.19 0.00 -0.00 0.00 0.00 175.17 174.59 1nmd s ALA 43 N -2.95 1.59 0.11 5.23 0.00 -1.26 -0.97 121.76 123.52 1nmd s ALA 43 Ca 0.23 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.28 1nmd s ALA 43 Cb 0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1nmd s ALA 43 CO 0.12 0.36 -0.08 0.71 0.00 0.00 0.00 175.76 176.87 1nmd s TYR 44 N -0.69 1.03 -0.12 0.00 1.51 -0.03 -1.01 117.35 118.03 1nmd s TYR 44 Ca 0.06 -0.84 0.02 0.00 -1.01 0.00 0.00 57.07 55.30 1nmd s TYR 44 Cb -0.08 -0.56 0.01 0.00 -0.11 0.00 0.00 41.96 41.22 1nmd s TYR 44 CO 0.01 -0.06 -0.17 0.08 -1.11 0.00 0.00 175.55 174.30 1nmd s VAL 45 N -3.45 1.62 -0.16 0.71 1.01 0.34 -1.08 120.40 119.39 1nmd s VAL 45 Ca 0.13 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1nmd s VAL 45 Cb 0.04 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1nmd s VAL 45 CO -0.03 0.46 -0.21 -0.63 0.00 0.00 0.00 175.10 174.70 1nmd s ILE 46 N 0.97 2.12 -0.20 2.22 1.09 0.54 -0.80 121.20 127.14 1nmd s ILE 46 Ca -0.06 -0.94 -0.04 0.00 -1.10 0.00 0.00 60.65 58.50 1nmd s ILE 46 Cb -0.15 -1.87 -0.02 0.00 -1.06 0.00 0.00 42.46 39.37 1nmd s ILE 46 CO -0.02 0.54 -0.03 -0.22 -0.10 0.00 0.00 174.94 175.11 1nmd s LEU 47 N 0.99 3.07 -0.35 2.97 2.96 -0.05 -0.73 118.68 127.54 1nmd s LEU 47 Ca -0.03 -0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 53.55 1nmd s LEU 47 Cb -0.15 -1.77 0.05 0.00 0.50 0.00 0.00 46.19 44.82 1nmd s LEU 47 CO -0.06 0.05 0.12 -0.75 -1.32 0.00 0.00 176.35 174.39 1nmd s LYS 48 N 1.07 2.55 -0.21 1.98 2.47 -0.38 -1.00 119.74 126.22 1nmd s LYS 48 Ca 0.01 -1.27 -0.13 0.00 -1.56 0.00 0.00 55.97 53.03 1nmd s LYS 48 Cb -0.15 -3.48 -0.05 0.00 -1.46 0.00 0.00 37.83 32.70 1nmd s LYS 48 CO 0.01 -0.73 0.26 0.99 0.16 0.00 0.00 175.35 176.04 1nmd s THR 49 N 1.37 5.30 -0.05 3.43 2.01 0.59 -2.46 115.64 125.82 1nmd s THR 49 Ca -0.01 0.43 0.06 0.00 0.31 0.00 0.00 61.69 62.48 1nmd s THR 49 Cb -0.20 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1nmd s THR 49 CO 0.02 0.33 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.34 1nmd s VAL 50 N 1.00 2.00 0.06 3.82 1.01 -0.15 0.05 120.40 128.18 1nmd s VAL 50 Ca 0.13 -1.05 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 1nmd s VAL 50 Cb -0.14 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 1nmd s VAL 50 CO 0.05 0.56 0.89 -1.58 0.00 0.00 0.00 175.10 175.01 1nmd s GLN 51 N -0.23 4.59 0.06 2.72 0.74 -1.26 0.10 119.66 126.38 1nmd s GLN 51 Ca -0.01 1.29 0.01 0.00 0.05 0.00 0.00 55.36 56.70 1nmd s GLN 51 Cb -0.13 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.55 1nmd s GLN 51 CO 0.03 0.17 0.14 -0.51 -0.55 0.00 0.00 175.29 174.57 1nmd s LEU 52 N 0.24 4.06 0.27 3.68 1.43 0.06 -4.89 118.68 123.53 1nmd s LEU 52 Ca 0.45 0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.64 1nmd s LEU 52 Cb -0.22 -2.66 0.55 0.00 0.03 0.00 0.00 46.19 43.90 1nmd s LEU 52 CO 0.27 0.19 1.61 0.03 0.23 0.00 0.00 176.35 178.67 1nmd h ARG 53 N 3.32 0.07 0.00 1.70 2.47 -1.97 0.11 114.38 120.08 1nmd h ARG 53 Ca -0.46 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1nmd h ARG 53 Cb 1.17 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1nmd h ARG 53 CO 0.70 0.05 0.00 -2.95 0.56 0.00 0.00 179.97 178.32 1nmd h ASN 54 N 0.07 0.00 0.00 7.04 -0.00 -2.03 -3.45 115.58 117.21 1nmd h ASN 54 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.78 1nmd h ASN 54 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.22 1nmd h ASN 54 CO -0.77 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 177.27 1nmd n GLY 55 N -0.99 1.49 3.76 9.14 0.00 0.37 -5.08 105.19 113.89 1nmd n GLY 55 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1nmd n GLY 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nmd s ASN 56 N -0.38 3.73 0.21 1.61 3.04 -1.25 -4.70 114.94 117.19 1nmd s ASN 56 Ca 0.00 1.22 0.07 0.00 0.04 0.00 0.00 52.86 54.19 1nmd s ASN 56 Cb 0.00 -1.89 -0.04 0.00 -1.54 0.00 0.00 41.25 37.79 1nmd s ASN 56 CO 0.00 -2.44 0.10 -0.76 -3.04 0.00 0.00 177.10 170.95 1nmd s LEU 57 N -6.04 3.59 -0.02 3.21 1.43 -1.26 -0.76 118.68 118.83 1nmd s LEU 57 Ca 0.63 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1nmd s LEU 57 Cb -0.16 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1nmd s LEU 57 CO 0.55 0.03 0.02 -1.58 0.23 0.00 0.00 176.35 175.60 1nmd s GLN 58 N -3.36 2.90 0.04 1.70 0.74 0.28 -4.87 119.66 117.10 1nmd s GLN 58 Ca 0.31 -0.53 0.06 0.00 0.05 0.00 0.00 55.36 55.24 1nmd s GLN 58 Cb -0.09 -2.75 -0.02 0.00 1.10 0.00 0.00 33.01 31.25 1nmd s GLN 58 CO 0.22 0.65 -0.17 0.71 -0.55 0.00 0.00 175.29 176.15 1nmd s TYR 59 N -1.07 1.44 -0.05 1.67 1.51 -1.26 -0.98 117.35 118.61 1nmd s TYR 59 Ca 0.19 -0.36 -0.02 0.00 -1.01 0.00 0.00 57.07 55.87 1nmd s TYR 59 Cb -0.12 -0.86 0.03 0.00 -0.11 0.00 0.00 41.96 40.91 1nmd s TYR 59 CO 0.09 0.06 0.08 -0.51 -1.11 0.00 0.00 175.55 174.16 1nmd s ASP 60 N -1.16 1.04 -0.22 2.29 1.01 -1.03 -2.39 116.67 116.20 1nmd s ASP 60 Ca 0.04 0.12 -0.07 0.00 0.71 0.00 0.00 52.55 53.35 1nmd s ASP 60 Cb -0.08 -0.07 -0.03 0.00 1.01 0.00 0.00 42.92 43.75 1nmd s ASP 60 CO 0.01 -0.25 0.07 -0.76 0.21 0.00 0.00 175.17 174.46 1nmd s LEU 61 N 2.16 3.61 -0.10 1.23 1.43 0.11 -1.25 118.68 125.86 1nmd s LEU 61 Ca 0.04 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 1nmd s LEU 61 Cb -0.12 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1nmd s LEU 61 CO -0.03 0.04 -0.22 -1.00 0.23 0.00 0.00 176.35 175.37 1nmd s HIS 62 N 1.15 2.39 -0.25 0.29 3.76 0.09 1.00 115.29 123.72 1nmd s HIS 62 Ca 0.05 -1.01 -0.05 0.00 -0.15 0.00 0.00 55.06 53.89 1nmd s HIS 62 Cb -0.14 -1.62 -0.00 0.00 1.11 0.00 0.00 32.58 31.93 1nmd s HIS 62 CO 0.03 -0.43 0.02 1.52 -0.85 0.00 0.00 174.74 175.03 1nmd s TYR 63 N 0.48 3.06 -0.18 1.40 -0.85 -0.35 -0.34 117.35 120.56 1nmd s TYR 63 Ca -0.16 -0.94 -0.13 0.00 -0.52 0.00 0.00 57.07 55.32 1nmd s TYR 63 Cb -0.17 -2.17 -0.05 0.00 0.38 0.00 0.00 41.96 39.95 1nmd s TYR 63 CO 0.06 -0.55 0.25 -0.46 -1.52 0.00 0.00 175.55 173.34 1nmd s TRP 64 N 1.49 3.42 -0.29 -3.49 -0.00 -0.24 -0.86 118.94 118.96 1nmd s TRP 64 Ca 0.04 0.50 -0.02 0.00 -0.00 0.00 0.00 56.10 56.62 1nmd s TRP 64 Cb -0.16 -2.32 0.04 0.00 -0.00 0.00 0.00 33.47 31.04 1nmd s TRP 64 CO -0.00 0.20 -0.01 -0.51 -0.00 0.00 0.00 176.95 176.63 1nmd s LEU 65 N 0.62 3.78 0.60 5.86 1.43 -0.01 -0.85 118.68 130.11 1nmd s LEU 65 Ca 0.14 -1.18 -0.18 0.00 -1.03 0.00 0.00 54.13 51.87 1nmd s LEU 65 Cb -0.13 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1nmd s LEU 65 CO 0.03 -0.24 1.19 -0.83 0.23 0.00 0.00 176.35 176.73 1nmd s GLY 66 N 1.28 2.66 0.49 -3.19 0.00 -0.14 -2.16 107.32 106.27 1nmd s GLY 66 Ca -0.04 0.94 0.22 0.00 0.00 0.00 0.00 44.72 45.84 1nmd s GLY 66 CO -0.01 1.33 1.97 -0.57 0.00 0.00 0.00 173.10 175.81 1nmd h ASN 67 N 0.82 0.14 -0.35 1.64 -1.24 -1.71 -2.39 115.58 112.49 1nmd h ASN 67 Ca -0.50 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.52 1nmd h ASN 67 Cb 1.29 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.32 1nmd h ASN 67 CO 0.55 0.07 0.00 -0.62 -1.29 0.00 0.00 177.43 176.14 1nmd n GLU 68 N -4.41 2.96 -2.15 6.67 4.71 0.36 -5.02 120.64 123.76 1nmd n GLU 68 Ca 0.11 -2.38 -0.37 0.00 -0.01 0.00 0.00 57.16 54.51 1nmd n GLU 68 Cb 0.58 -1.51 0.00 0.00 -1.01 0.00 0.00 31.44 29.50 1nmd n GLU 68 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1nmd s SER 70 N -1.31 5.87 0.34 0.00 1.04 -1.26 -4.85 113.70 113.54 1nmd s SER 70 Ca 0.66 1.30 0.07 0.00 0.48 0.00 0.00 55.95 58.47 1nmd s SER 70 Cb -0.31 -2.24 0.75 0.00 0.10 0.00 0.00 66.02 64.32 1nmd s SER 70 CO 0.37 -1.09 1.86 -0.61 0.98 0.00 0.00 173.24 174.76 1nmd h GLN 71 N -0.47 0.74 -0.39 4.02 4.15 -1.99 -0.80 115.11 120.36 1nmd h GLN 71 Ca -0.44 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 58.88 1nmd h GLN 71 Cb 1.22 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.72 1nmd h GLN 71 CO 0.63 0.49 0.04 0.38 -1.93 0.00 0.00 178.83 178.44 1nmd h ASP 72 N 0.76 0.56 -0.04 -0.69 2.03 -1.98 0.52 116.42 117.59 1nmd h ASP 72 Ca 0.46 -0.10 -0.03 0.00 -0.73 0.00 0.00 57.03 56.62 1nmd h ASP 72 Cb 0.65 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 1nmd h ASP 72 CO -0.22 0.61 -0.10 -0.33 -1.03 0.00 0.00 179.24 178.17 1nmd h GLU 73 N 0.58 0.14 -0.33 4.15 5.08 -1.53 -0.91 114.58 121.76 1nmd h GLU 73 Ca 0.13 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1nmd h GLU 73 Cb 0.31 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1nmd h GLU 73 CO 0.01 0.69 -0.33 0.66 -1.00 0.00 0.00 179.01 179.04 1nmd h SER 74 N -0.40 0.76 -0.67 1.42 4.64 -1.41 -1.15 113.55 116.75 1nmd h SER 74 Ca -0.00 -0.32 -0.06 0.00 -0.47 0.00 0.00 61.79 60.94 1nmd h SER 74 Cb 0.69 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 1nmd h SER 74 CO 0.02 1.03 0.17 1.23 -0.87 0.00 0.00 176.83 178.41 1nmd h GLY 75 N 0.96 1.15 1.07 -0.77 0.00 -0.94 -2.46 103.07 102.07 1nmd h GLY 75 Ca 0.06 -0.71 -0.13 0.00 0.00 0.00 0.00 47.33 46.55 1nmd h GLY 75 CO 0.07 0.66 -0.24 0.00 0.00 0.00 0.00 176.54 177.04 1nmd h ALA 76 N 1.07 0.59 -0.52 3.60 0.00 -0.97 -2.30 119.26 120.73 1nmd h ALA 76 Ca 0.21 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1nmd h ALA 76 Cb 0.35 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1nmd h ALA 76 CO 0.00 0.59 0.27 0.00 0.00 0.00 0.00 179.25 180.11 1nmd h ALA 77 N 0.82 0.67 -0.26 0.00 0.00 -1.11 0.16 119.26 119.54 1nmd h ALA 77 Ca 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nmd h ALA 77 Cb 0.81 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1nmd h ALA 77 CO 0.07 -0.07 0.14 0.00 0.00 0.00 0.00 179.25 179.39 1nmd h ALA 78 N 1.28 0.33 -0.50 0.00 0.00 -1.33 -1.51 119.26 117.53 1nmd h ALA 78 Ca 0.23 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1nmd h ALA 78 Cb 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1nmd h ALA 78 CO -0.16 -0.14 -0.01 0.82 0.00 0.00 0.00 179.25 179.76 1nmd h ILE 79 N 0.31 1.26 -0.25 0.00 2.04 -1.00 -1.95 117.51 117.92 1nmd h ILE 79 Ca 0.09 -1.10 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 1nmd h ILE 79 Cb 0.06 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1nmd h ILE 79 CO -0.01 0.38 -0.03 -0.26 0.00 0.00 0.00 178.15 178.23 1nmd h PHE 80 N 0.75 0.38 -0.52 1.37 0.05 -0.62 -0.40 116.94 117.96 1nmd h PHE 80 Ca 0.14 -0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.83 1nmd h PHE 80 Cb 0.53 -0.11 -0.02 0.00 2.00 0.00 0.00 35.95 38.35 1nmd h PHE 80 CO 0.04 0.41 0.06 1.15 -0.18 0.00 0.00 178.31 179.80 1nmd h THR 81 N 0.36 1.25 -0.52 -1.55 2.02 -0.89 0.25 112.91 113.84 1nmd h THR 81 Ca 0.08 -0.98 -0.06 0.00 0.77 0.00 0.00 66.41 66.22 1nmd h THR 81 Cb 0.29 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1nmd h THR 81 CO 0.01 0.35 0.09 0.58 0.37 0.00 0.00 175.52 176.92 1nmd h VAL 82 N 0.75 1.25 -0.35 3.16 2.07 -0.68 -2.05 116.25 120.41 1nmd h VAL 82 Ca 0.15 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 1nmd h VAL 82 Cb 0.43 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1nmd h VAL 82 CO 0.01 0.34 0.12 1.56 0.02 0.00 0.00 177.57 179.62 1nmd h GLN 83 N 0.74 0.53 -0.44 1.57 4.20 -0.75 -0.66 115.11 120.30 1nmd h GLN 83 Ca 0.16 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1nmd h GLN 83 Cb 0.39 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1nmd h GLN 83 CO 0.01 0.55 0.27 1.25 -0.67 0.00 0.00 178.83 180.23 1nmd h LEU 84 N 0.41 0.52 -0.20 1.46 5.85 -0.47 0.36 115.31 123.24 1nmd h LEU 84 Ca 0.11 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1nmd h LEU 84 Cb 0.23 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1nmd h LEU 84 CO -0.01 0.42 0.02 -0.78 -0.34 0.00 0.00 178.44 177.75 1nmd h ASP 85 N 0.58 -0.04 -0.66 1.25 3.58 -1.15 0.57 116.42 120.55 1nmd h ASP 85 Ca 0.16 0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.69 1nmd h ASP 85 Cb -0.01 0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.05 1nmd h ASP 85 CO -0.03 0.01 0.39 0.44 -2.88 0.00 0.00 179.24 177.17 1nmd h ASP 86 N 0.09 0.60 -0.81 2.28 3.32 -0.71 0.21 116.42 121.40 1nmd h ASP 86 Ca 0.09 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1nmd h ASP 86 Cb 0.10 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1nmd h ASP 86 CO -0.14 0.40 0.51 0.22 -1.72 0.00 0.00 179.24 178.51 1nmd h TYR 87 N 0.73 1.04 -0.40 4.55 3.20 -0.29 -1.77 116.97 124.05 1nmd h TYR 87 Ca 0.29 0.01 -0.21 0.00 3.14 0.00 0.00 58.73 61.95 1nmd h TYR 87 Cb 0.12 -0.35 -0.12 0.00 1.54 0.00 0.00 36.73 37.92 1nmd h TYR 87 CO -0.07 0.68 0.27 1.28 -1.64 0.00 0.00 178.16 178.68 1nmd n LEU 88 N -4.39 4.71 -2.10 2.82 4.77 0.13 -4.86 117.00 118.08 1nmd n LEU 88 Ca 0.09 -2.44 -0.19 0.00 -0.03 0.00 0.00 56.01 53.45 1nmd n LEU 88 Cb 0.05 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 1nmd n LEU 88 CO 0.37 0.78 -0.22 0.59 -1.33 0.00 0.00 177.39 177.58 1nmd n ASN 89 N -0.06 -5.21 -0.91 -1.43 3.02 -0.66 -2.37 115.26 107.63 1nmd n ASN 89 Ca 0.24 0.19 -0.10 0.00 -0.03 0.00 0.00 54.58 54.88 1nmd n ASN 89 Cb 0.92 -4.46 -0.03 0.00 -0.61 0.00 0.00 39.78 35.60 1nmd n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nmd n GLY 90 N -0.74 0.72 0.20 7.41 0.00 0.62 -4.92 105.19 108.47 1nmd n GLY 90 Ca -0.21 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.40 1nmd n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nmd n ARG 91 N -2.44 0.65 -3.32 1.61 1.74 -1.00 -4.93 116.66 108.97 1nmd n ARG 91 Ca -0.11 -0.41 -0.37 0.00 -0.77 0.00 0.00 57.85 56.20 1nmd n ARG 91 Cb 0.43 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.31 1nmd n ARG 91 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nmd s ALA 92 N -2.63 3.59 -0.17 7.54 0.00 -1.26 -4.29 121.76 124.54 1nmd s ALA 92 Ca 0.20 -0.05 -0.13 0.00 0.00 0.00 0.00 51.96 51.98 1nmd s ALA 92 Cb 0.19 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 1nmd s ALA 92 CO 0.58 0.43 0.26 0.08 0.00 0.00 0.00 175.76 177.11 1nmd s VAL 93 N -1.26 5.32 -0.06 0.00 1.01 -1.01 -4.88 120.40 119.53 1nmd s VAL 93 Ca 0.32 0.48 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 1nmd s VAL 93 Cb -0.17 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1nmd s VAL 93 CO 0.19 0.39 0.31 -1.10 0.00 0.00 0.00 175.10 174.89 1nmd s GLN 94 N 0.50 3.81 -0.06 2.72 -0.21 -1.26 0.09 119.66 125.25 1nmd s GLN 94 Ca 0.15 0.20 0.01 0.00 0.02 0.00 0.00 55.36 55.74 1nmd s GLN 94 Cb -0.13 -3.24 0.02 0.00 1.00 0.00 0.00 33.01 30.67 1nmd s GLN 94 CO 0.03 0.66 -0.05 -1.01 -2.12 0.00 0.00 175.29 172.80 1nmd s HIS 95 N -0.86 0.91 -0.21 0.91 3.76 0.28 -4.94 115.29 115.14 1nmd s HIS 95 Ca 0.20 -0.30 -0.22 0.00 -0.15 0.00 0.00 55.06 54.59 1nmd s HIS 95 Cb -0.15 -0.81 -0.02 0.00 1.11 0.00 0.00 32.58 32.72 1nmd s HIS 95 CO 0.09 -0.26 0.71 0.50 -0.85 0.00 0.00 174.74 174.93 1nmd s ARG 96 N 1.15 4.20 -0.28 1.40 3.52 -1.26 -1.21 118.95 126.48 1nmd s ARG 96 Ca -0.07 0.76 -0.01 0.00 -0.13 0.00 0.00 55.73 56.28 1nmd s ARG 96 Cb -0.14 -3.61 0.05 0.00 -1.56 0.00 0.00 34.95 29.69 1nmd s ARG 96 CO -0.01 -0.35 -0.04 -1.21 -0.81 0.00 0.00 175.30 172.87 1nmd s GLU 97 N 2.29 2.50 -0.10 5.12 0.41 -0.04 -4.91 118.70 123.96 1nmd s GLU 97 Ca 0.31 -1.21 -0.09 0.00 -0.41 0.00 0.00 54.97 53.57 1nmd s GLU 97 Cb -0.16 -3.06 -0.04 0.00 -1.78 0.00 0.00 34.13 29.09 1nmd s GLU 97 CO 0.10 -0.55 0.21 0.08 -0.49 0.00 0.00 175.26 174.61 1nmd s VAL 98 N 1.24 5.38 0.11 2.63 1.01 -1.26 -0.83 120.40 128.68 1nmd s VAL 98 Ca -0.05 0.37 -0.36 0.00 0.00 0.00 0.00 61.98 61.95 1nmd s VAL 98 Cb -0.19 -3.49 -0.16 0.00 0.00 0.00 0.00 36.38 32.54 1nmd s VAL 98 CO -0.03 0.58 1.33 1.67 0.00 0.00 0.00 175.10 178.65 1nmd n GLN 99 N 2.16 1.25 -0.59 2.72 7.27 -0.92 -0.12 117.38 129.15 1nmd n GLN 99 Ca -0.18 0.45 0.00 0.00 0.07 0.00 0.00 57.00 57.34 1nmd n GLN 99 Cb 0.54 -2.08 0.00 0.00 2.41 0.00 0.00 30.24 31.11 1nmd n GLN 99 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1nmd n GLY 100 N 2.49 1.42 0.99 1.69 0.00 -1.26 -4.81 105.19 105.70 1nmd n GLY 100 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 1nmd n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nmd n PHE 101 N -2.00 0.00 -1.51 1.61 3.01 0.82 -5.12 117.46 114.27 1nmd n PHE 101 Ca 0.00 -0.25 -0.34 0.00 1.01 0.00 0.00 57.45 57.86 1nmd n PHE 101 Cb 0.00 -0.06 0.08 0.00 -0.01 0.00 0.00 39.48 39.49 1nmd n PHE 101 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1nmd s GLU 102 N 0.00 2.27 0.64 -1.08 8.01 -1.07 -4.51 118.70 122.96 1nmd s GLU 102 Ca 0.16 1.74 -0.14 0.00 0.01 0.00 0.00 54.97 56.73 1nmd s GLU 102 Cb 0.18 -1.85 -0.01 0.00 -4.31 0.00 0.00 34.13 28.14 1nmd s GLU 102 CO -0.08 -1.73 1.07 -1.54 0.01 0.00 0.00 175.26 173.00 1nmd s SER 103 N -2.04 5.45 0.17 -0.19 1.04 -1.26 -4.87 113.70 112.00 1nmd s SER 103 Ca 0.74 1.84 -0.14 0.00 0.48 0.00 0.00 55.95 58.87 1nmd s SER 103 Cb -0.29 -2.53 0.12 0.00 0.10 0.00 0.00 66.02 63.42 1nmd s SER 103 CO 0.44 -1.40 1.76 0.00 0.98 0.00 0.00 173.24 175.03 1nmd h ALA 104 N 0.06 0.55 -0.32 5.32 0.00 -1.99 -1.59 119.26 121.29 1nmd h ALA 104 Ca -0.46 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.56 1nmd h ALA 104 Cb 1.23 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1nmd h ALA 104 CO 0.56 -0.19 -0.35 1.15 0.00 0.00 0.00 179.25 180.42 1nmd h THR 105 N 0.37 0.21 0.02 0.00 2.02 -1.98 0.40 112.91 113.95 1nmd h THR 105 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.38 1nmd h THR 105 Cb 0.16 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1nmd h THR 105 CO -0.18 0.00 -0.02 0.15 0.37 0.00 0.00 175.52 175.84 1nmd h PHE 106 N -0.32 -0.04 -0.65 3.16 3.57 -1.86 -2.15 116.94 118.65 1nmd h PHE 106 Ca 0.14 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.70 1nmd h PHE 106 Cb 0.56 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 1nmd h PHE 106 CO -0.52 -0.03 0.43 -0.07 -2.23 0.00 0.00 178.31 175.89 1nmd h LEU 107 N -0.04 0.60 -0.65 0.59 3.38 -1.05 -1.67 115.31 116.47 1nmd h LEU 107 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nmd h LEU 107 Cb 0.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1nmd h LEU 107 CO -0.01 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.53 1nmd n GLY 108 N -1.46 -0.96 0.09 0.83 0.00 0.11 -2.42 105.19 101.38 1nmd n GLY 108 Ca 0.09 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1nmd n GLY 108 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nmd n TYR 109 N -1.96 0.74 -3.62 1.61 4.01 -0.63 -4.47 117.16 112.85 1nmd n TYR 109 Ca 0.01 0.24 -0.40 0.00 -0.16 0.00 0.00 57.90 57.59 1nmd n TYR 109 Cb 0.12 -0.89 -0.10 0.00 -0.31 0.00 0.00 39.34 38.17 1nmd n TYR 109 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1nmd s PHE 110 N -3.14 3.43 0.19 -0.72 0.40 -1.01 -4.98 117.98 112.15 1nmd s PHE 110 Ca 0.09 -1.90 -0.20 0.00 -0.60 0.00 0.00 56.93 54.32 1nmd s PHE 110 Cb 0.12 -3.27 0.13 0.00 0.51 0.00 0.00 43.02 40.51 1nmd s PHE 110 CO 0.52 -0.95 1.59 1.57 0.70 0.00 0.00 175.22 178.65 1nmd h LYS 111 N 8.35 -0.15 -0.65 0.44 -0.00 -1.85 0.60 116.57 123.30 1nmd h LYS 111 Ca -0.20 0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.46 1nmd h LYS 111 Cb 1.07 0.03 0.00 0.00 -0.00 0.00 0.00 32.23 33.33 1nmd h LYS 111 CO 0.79 -0.10 0.00 -1.13 -0.00 0.00 0.00 179.45 179.01 1nmd n SER 112 N -5.44 3.33 -0.35 7.07 3.41 -1.26 -5.02 113.62 115.38 1nmd n SER 112 Ca 0.04 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 1nmd n SER 112 Cb 0.36 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1nmd n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nmd n GLY 113 N 0.65 -3.34 3.83 5.00 0.00 0.20 -4.96 105.19 106.57 1nmd n GLY 113 Ca 0.16 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 1nmd n GLY 113 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1nmd s LEU 114 N -2.31 3.32 0.10 0.99 2.34 -1.26 -4.99 118.68 116.87 1nmd s LEU 114 Ca 0.00 1.59 0.08 0.00 0.06 0.00 0.00 54.13 55.86 1nmd s LEU 114 Cb 0.00 -4.50 -0.03 0.00 -0.56 0.00 0.00 46.19 41.10 1nmd s LEU 114 CO 0.00 -1.07 -0.19 -0.54 -1.06 0.00 0.00 176.35 173.49 1nmd s LYS 115 N -4.71 1.06 -0.10 1.48 -0.14 0.11 -5.02 119.74 112.41 1nmd s LYS 115 Ca 0.58 -1.13 -0.04 0.00 -1.36 0.00 0.00 55.97 54.02 1nmd s LYS 115 Cb -0.13 -1.25 -0.04 0.00 -1.68 0.00 0.00 37.83 34.73 1nmd s LYS 115 CO 0.47 0.29 0.05 0.71 -0.76 0.00 0.00 175.35 176.11 1nmd s TYR 116 N -1.25 3.33 -0.03 3.18 4.12 -1.26 -1.49 117.35 123.95 1nmd s TYR 116 Ca 0.05 0.32 0.01 0.00 0.02 0.00 0.00 57.07 57.46 1nmd s TYR 116 Cb -0.10 -1.85 0.02 0.00 -1.52 0.00 0.00 41.96 38.51 1nmd s TYR 116 CO 0.04 0.56 -0.01 -1.59 0.02 0.00 0.00 175.55 174.57 1nmd s LYS 117 N -0.91 0.36 0.47 -0.62 -2.85 -0.18 -4.93 119.74 111.08 1nmd s LYS 117 Ca 0.14 0.02 -0.24 0.00 -1.00 0.00 0.00 55.97 54.88 1nmd s LYS 117 Cb -0.12 -0.48 -0.08 0.00 -2.06 0.00 0.00 37.83 35.09 1nmd s LYS 117 CO 0.03 -0.09 1.41 1.63 0.10 0.00 0.00 175.35 178.42 1nmd n LYS 118 N 3.93 2.10 0.00 1.78 4.76 -1.26 -1.01 118.16 128.46 1nmd n LYS 118 Ca -0.25 0.75 0.00 0.00 -2.87 0.00 0.00 58.31 55.95 1nmd n LYS 118 Cb 0.52 -2.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.11 1nmd n LYS 118 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nmd n GLY 119 N 0.64 -0.55 0.00 0.72 0.00 -1.26 -4.79 105.19 99.95 1nmd n GLY 119 Ca 0.06 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1nmd n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nmd n GLY 120 N -0.07 -0.75 3.82 -0.02 0.00 -1.26 -0.98 105.19 105.92 1nmd n GLY 120 Ca 0.00 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 1nmd n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nmd s VAL 121 N -1.58 4.20 0.71 1.61 0.11 -1.26 -5.02 120.40 119.16 1nmd s VAL 121 Ca 0.00 1.28 -0.15 0.00 -2.93 0.00 0.00 61.98 60.18 1nmd s VAL 121 Cb 0.00 -3.56 0.03 0.00 -1.53 0.00 0.00 36.38 31.31 1nmd s VAL 121 CO 0.00 -0.39 1.16 0.00 -3.33 0.00 0.00 175.10 172.54 1nmd s ALA 122 N -2.23 2.25 0.71 1.54 0.00 -1.26 -4.90 121.76 117.87 1nmd s ALA 122 Ca 0.63 0.70 -0.16 0.00 0.00 0.00 0.00 51.96 53.13 1nmd s ALA 122 Cb -0.12 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.63 1nmd s ALA 122 CO 0.21 -1.64 1.14 0.45 0.00 0.00 0.00 175.76 175.92 1nmd n SER 123 N -2.67 1.18 0.01 0.00 2.88 -1.26 -4.59 113.62 109.17 1nmd n SER 123 Ca 0.12 0.71 0.12 0.00 -1.33 0.00 0.00 58.87 58.49 1nmd n SER 123 Cb 0.51 -1.48 0.31 0.00 -0.75 0.00 0.00 64.21 62.80 1nmd n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nmd n GLY 124 N 0.90 -1.32 0.00 0.46 0.00 -1.26 -4.93 105.19 99.04 1nmd n GLY 124 Ca 0.14 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.90 1nmd n GLY 124 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01