#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lof s GLU 2 N 0.00 0.12 0.19 -2.82 2.02 -1.26 -5.17 118.70 111.77 1lof s GLU 2 Ca 0.00 0.52 0.08 0.00 0.02 0.00 0.00 54.97 55.59 1lof s GLU 2 Cb 0.00 -0.16 -0.04 0.00 0.10 0.00 0.00 34.13 34.02 1lof s GLU 2 CO 0.00 -0.22 -0.15 0.95 0.02 0.00 0.00 175.26 175.86 1lof s THR 3 N 1.67 1.68 -0.07 3.63 -4.23 -1.26 -5.05 115.64 112.02 1lof s THR 3 Ca -0.05 -2.10 -0.03 0.00 -1.18 0.00 0.00 61.69 58.34 1lof s THR 3 Cb -0.11 -1.94 0.04 0.00 1.34 0.00 0.00 72.50 71.82 1lof s THR 3 CO -0.07 -0.53 0.14 -0.89 -0.54 0.00 0.00 174.62 172.73 1lof s THR 4 N -2.72 -0.11 0.03 3.99 2.01 -1.26 -5.10 115.64 112.48 1lof s THR 4 Ca 0.19 0.24 -0.06 0.00 0.31 0.00 0.00 61.69 62.37 1lof s THR 4 Cb -0.02 -0.24 -0.01 0.00 0.01 0.00 0.00 72.50 72.25 1lof s THR 4 CO 0.06 0.10 0.12 -0.44 -0.69 0.00 0.00 174.62 173.77 1lof s SER 5 N 1.49 0.12 0.17 3.53 0.01 -1.26 -5.12 113.70 112.65 1lof s SER 5 Ca -0.05 -0.41 -0.22 0.00 1.31 0.00 0.00 55.95 56.58 1lof s SER 5 Cb -0.12 0.22 0.06 0.00 0.21 0.00 0.00 66.02 66.39 1lof s SER 5 CO -0.06 -0.46 0.59 0.72 0.41 0.00 0.00 173.24 174.44 1lof s PHE 6 N -2.18 -0.45 -0.03 2.43 -0.71 -1.26 -5.16 117.98 110.62 1lof s PHE 6 Ca -0.08 0.19 -0.04 0.00 -1.04 0.00 0.00 56.93 55.96 1lof s PHE 6 Cb -0.04 0.54 0.01 0.00 -1.21 0.00 0.00 43.02 42.32 1lof s PHE 6 CO -0.02 -0.89 0.10 -1.54 -1.34 0.00 0.00 175.22 171.53 1lof s SER 7 N -2.78 -0.07 -0.28 1.98 1.04 -1.26 -5.11 113.70 107.22 1lof s SER 7 Ca 0.03 0.12 -0.00 0.00 0.48 0.00 0.00 55.95 56.58 1lof s SER 7 Cb -0.01 0.21 0.09 0.00 0.10 0.00 0.00 66.02 66.40 1lof s SER 7 CO -0.10 -0.09 0.05 -0.63 0.98 0.00 0.00 173.24 173.45 1lof s ILE 8 N -0.20 1.08 0.11 -1.02 1.01 -1.26 -5.01 121.20 115.92 1lof s ILE 8 Ca -0.03 -1.32 0.13 0.00 0.00 0.00 0.00 60.65 59.43 1lof s ILE 8 Cb -0.02 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 1lof s ILE 8 CO 0.00 -0.48 1.53 0.74 0.00 0.00 0.00 174.94 176.73 1lof h THR 9 N 6.54 1.23 -2.62 2.92 2.02 -1.99 -3.45 112.91 117.56 1lof h THR 9 Ca -0.14 -2.31 -0.11 0.00 0.77 0.00 0.00 66.41 64.62 1lof h THR 9 Cb 1.04 2.32 -0.27 0.00 -1.74 0.00 0.00 68.15 69.51 1lof h THR 9 CO 0.44 0.61 -0.33 -0.54 0.37 0.00 0.00 175.52 176.07 1lof s LYS 10 N -3.24 0.36 -0.23 6.66 1.02 -1.26 -5.09 119.74 117.96 1lof s LYS 10 Ca 0.01 0.86 -0.28 0.00 0.02 0.00 0.00 55.97 56.57 1lof s LYS 10 Cb 0.10 0.08 0.01 0.00 -0.52 0.00 0.00 37.83 37.50 1lof s LYS 10 CO 0.75 -0.19 1.01 -0.06 -0.92 0.00 0.00 175.35 175.94 1lof s PHE 11 N 1.81 3.34 0.89 3.18 0.40 -0.08 -5.01 117.98 122.50 1lof s PHE 11 Ca -0.07 1.43 -0.14 0.00 -0.60 0.00 0.00 56.93 57.55 1lof s PHE 11 Cb -0.10 -3.24 0.14 0.00 0.51 0.00 0.00 43.02 40.33 1lof s PHE 11 CO -0.13 -0.46 1.22 0.20 0.70 0.00 0.00 175.22 176.76 1lof s GLY 12 N 1.21 1.66 0.49 4.36 0.00 -1.26 -3.19 107.32 110.59 1lof s GLY 12 Ca 0.43 -0.84 0.28 0.00 0.00 0.00 0.00 44.72 44.58 1lof s GLY 12 CO 0.07 -0.23 1.93 -0.56 0.00 0.00 0.00 173.10 174.30 1lof h PRO 13 N -1.37 0.00 -2.95 2.90 0.13 -1.97 -3.33 132.00 125.41 1lof h PRO 13 Ca -0.46 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.04 1lof h PRO 13 Cb 1.29 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 32.01 1lof h PRO 13 CO 0.54 0.14 -0.51 -3.47 -0.23 0.00 0.00 178.00 174.48 1lof n ASP 14 N -3.35 3.33 -4.35 1.44 2.03 -1.26 -4.75 116.55 109.64 1lof n ASP 14 Ca -0.00 -3.25 -0.45 0.00 0.52 0.00 0.00 54.79 51.61 1lof n ASP 14 Cb 0.35 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 1lof n ASP 14 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1lof n GLN 15 N 1.78 3.55 0.29 -0.67 -0.06 -1.25 -4.85 117.38 116.16 1lof n GLN 15 Ca 0.22 -4.26 0.18 0.00 -2.00 0.00 0.00 57.00 51.14 1lof n GLN 15 Cb 0.36 -2.71 0.80 0.00 -4.06 0.00 0.00 30.24 24.64 1lof n GLN 15 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 1lof h GLN 16 N 6.70 0.00 0.00 3.69 4.20 -1.94 -2.05 115.11 125.70 1lof h GLN 16 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1lof h GLN 16 Cb 0.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1lof h GLN 16 CO 1.12 0.03 0.00 0.27 -0.67 0.00 0.00 178.83 179.58 1lof n ASN 17 N -3.18 0.00 -4.60 1.46 6.94 -1.26 -4.79 115.26 109.83 1lof n ASN 17 Ca -0.01 -1.11 -0.30 0.00 -0.02 0.00 0.00 54.58 53.15 1lof n ASN 17 Cb 0.25 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.58 1lof n ASN 17 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1lof s LEU 18 N -1.88 3.13 -0.19 -4.53 1.43 -0.77 -1.08 118.68 114.80 1lof s LEU 18 Ca 0.42 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 53.07 1lof s LEU 18 Cb 0.19 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 1lof s LEU 18 CO 0.32 0.18 0.19 -0.63 0.23 0.00 0.00 176.35 176.64 1lof s ILE 19 N -1.23 5.37 0.03 -0.59 1.01 0.68 -4.84 121.20 121.64 1lof s ILE 19 Ca 0.22 0.32 0.02 0.00 0.00 0.00 0.00 60.65 61.21 1lof s ILE 19 Cb -0.11 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1lof s ILE 19 CO 0.14 0.42 0.06 -0.36 0.00 0.00 0.00 174.94 175.20 1lof s PHE 20 N 0.40 3.18 0.02 3.97 0.08 -1.26 -1.09 117.98 123.28 1lof s PHE 20 Ca 0.11 0.12 -0.10 0.00 0.12 0.00 0.00 56.93 57.18 1lof s PHE 20 Cb -0.12 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.67 1lof s PHE 20 CO 0.00 0.51 0.20 -0.65 -0.10 0.00 0.00 175.22 175.18 1lof s GLN 21 N -1.95 0.63 6.28 0.44 -0.21 -0.62 -4.99 119.66 119.24 1lof s GLN 21 Ca 0.24 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 55.13 1lof s GLN 21 Cb -0.12 0.26 0.00 0.00 1.00 0.00 0.00 33.01 34.15 1lof s GLN 21 CO 0.16 -0.17 0.00 0.41 -2.12 0.00 0.00 175.29 173.57 1lof n GLY 22 N 1.00 3.11 0.74 3.09 0.00 -1.26 -0.80 105.19 111.07 1lof n GLY 22 Ca -0.20 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.58 1lof n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lof n ASP 23 N 1.87 2.14 -4.77 1.61 9.92 0.41 -4.88 116.55 122.85 1lof n ASP 23 Ca 0.00 -2.08 -0.37 0.00 -0.53 0.00 0.00 54.79 51.81 1lof n ASP 23 Cb 0.00 -0.30 -0.02 0.00 -0.64 0.00 0.00 41.12 40.16 1lof n ASP 23 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1lof s GLY 24 N -0.89 2.79 0.12 0.44 0.00 -1.08 -4.81 107.32 103.88 1lof s GLY 24 Ca 0.24 0.88 -0.25 0.00 0.00 0.00 0.00 44.72 45.58 1lof s GLY 24 CO 0.15 1.34 1.08 -2.52 0.00 0.00 0.00 173.10 173.14 1lof s TYR 25 N -1.54 -0.04 -0.08 1.90 1.13 -0.80 -4.61 117.35 113.31 1lof s TYR 25 Ca 0.60 -0.24 0.01 0.00 -1.41 0.00 0.00 57.07 56.03 1lof s TYR 25 Cb -0.27 0.63 -0.02 0.00 -1.10 0.00 0.00 41.96 41.20 1lof s TYR 25 CO 0.34 -0.70 -0.11 0.95 -2.51 0.00 0.00 175.55 173.52 1lof s THR 26 N -2.67 3.32 -0.09 -3.49 -4.23 -1.26 -0.68 115.64 106.54 1lof s THR 26 Ca 0.17 -0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 60.04 1lof s THR 26 Cb -0.00 -2.36 0.05 0.00 1.34 0.00 0.00 72.50 71.53 1lof s THR 26 CO 0.02 0.57 0.19 -0.89 -0.54 0.00 0.00 174.62 173.97 1lof s THR 27 N -0.40 -0.22 -1.14 3.99 2.01 -0.46 -4.68 115.64 114.73 1lof s THR 27 Ca 0.05 0.28 -0.23 0.00 0.31 0.00 0.00 61.69 62.10 1lof s THR 27 Cb -0.12 -0.33 -0.00 0.00 0.01 0.00 0.00 72.50 72.06 1lof s THR 27 CO 0.02 0.12 0.78 0.29 -0.69 0.00 0.00 174.62 175.14 1lof n LYS 28 N 4.96 -1.08 -0.65 4.92 5.02 -1.26 -1.63 118.16 128.44 1lof n LYS 28 Ca -0.12 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1lof n LYS 28 Cb 0.51 -3.92 0.00 0.00 -0.02 0.00 0.00 35.03 31.60 1lof n LYS 28 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1lof n GLU 29 N -4.29 -0.52 -4.17 1.97 1.02 -1.19 -4.94 120.64 108.52 1lof n GLU 29 Ca -0.09 0.13 -0.26 0.00 -0.02 0.00 0.00 57.16 56.91 1lof n GLU 29 Cb 0.59 -4.54 -0.07 0.00 -0.02 0.00 0.00 31.44 27.40 1lof n GLU 29 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1lof s ARG 30 N -1.21 2.58 -0.23 3.49 0.52 -0.64 -0.90 118.95 122.55 1lof s ARG 30 Ca 0.00 -1.04 -0.16 0.00 -0.52 0.00 0.00 55.73 54.02 1lof s ARG 30 Cb 0.00 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.98 1lof s ARG 30 CO 0.00 0.46 0.39 -1.17 0.02 0.00 0.00 175.30 175.00 1lof s LEU 31 N -3.04 4.10 -0.30 2.53 2.96 -1.26 -1.36 118.68 122.30 1lof s LEU 31 Ca 0.29 0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 54.52 1lof s LEU 31 Cb -0.09 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 1lof s LEU 31 CO 0.20 -0.13 0.18 -0.89 -1.32 0.00 0.00 176.35 174.39 1lof s THR 32 N 1.67 5.00 -0.19 3.68 2.01 0.15 -4.97 115.64 122.99 1lof s THR 32 Ca 0.17 -0.15 -0.21 0.00 0.31 0.00 0.00 61.69 61.81 1lof s THR 32 Cb -0.15 -3.48 -0.21 0.00 0.01 0.00 0.00 72.50 68.67 1lof s THR 32 CO 0.09 0.13 0.32 -0.07 -0.69 0.00 0.00 174.62 174.40 1lof h LEU 33 N 8.39 0.05 -8.90 4.42 4.07 -1.87 -2.13 115.31 119.33 1lof h LEU 33 Ca -0.33 -0.62 -0.37 0.00 0.08 0.00 0.00 57.88 56.63 1lof h LEU 33 Cb 1.17 -0.02 -0.14 0.00 1.08 0.00 0.00 40.66 42.75 1lof h LEU 33 CO 0.60 1.45 -0.64 0.42 -1.08 0.00 0.00 178.44 179.19 1lof s THR 34 N -2.36 0.91 0.40 0.22 -4.23 -1.26 -2.88 115.64 106.44 1lof s THR 34 Ca -0.27 -2.02 0.07 0.00 -1.18 0.00 0.00 61.69 58.30 1lof s THR 34 Cb 0.05 -2.44 -0.05 0.00 1.34 0.00 0.00 72.50 71.40 1lof s THR 34 CO 0.63 -0.23 0.19 -0.75 -0.54 0.00 0.00 174.62 173.92 1lof s LYS 35 N -3.91 2.26 -1.11 3.99 2.36 -1.26 -4.98 119.74 117.08 1lof s LYS 35 Ca 0.31 -1.79 -0.21 0.00 -2.55 0.00 0.00 55.97 51.73 1lof s LYS 35 Cb 0.07 -2.03 -0.08 0.00 -1.05 0.00 0.00 37.83 34.74 1lof s LYS 35 CO 0.10 -0.10 1.92 0.00 1.55 0.00 0.00 175.35 178.82 1lof n ALA 36 N -1.25 2.64 -3.16 3.13 0.00 -1.26 -4.75 120.51 115.85 1lof n ALA 36 Ca -0.01 -3.26 -0.12 0.00 0.00 0.00 0.00 53.44 50.05 1lof n ALA 36 Cb 0.64 -3.54 -0.10 0.00 0.00 0.00 0.00 19.45 16.45 1lof n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1lof s VAL 37 N 8.13 0.06 0.32 0.00 1.01 -1.26 -5.08 120.40 123.58 1lof s VAL 37 Ca 0.62 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.81 1lof s VAL 37 Cb 0.05 -0.50 -0.09 0.00 0.00 0.00 0.00 36.38 35.84 1lof s VAL 37 CO 0.11 -0.29 1.05 -0.60 0.00 0.00 0.00 175.10 175.38 1lof s ARG 38 N -1.19 4.49 -1.27 2.72 3.52 -1.26 -4.36 118.95 121.60 1lof s ARG 38 Ca -0.13 1.63 0.00 0.00 -0.13 0.00 0.00 55.73 57.11 1lof s ARG 38 Cb -0.06 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.38 1lof s ARG 38 CO 0.03 0.13 0.00 -1.71 -0.81 0.00 0.00 175.30 172.93 1lof n ASN 39 N 0.74 -3.95 -4.80 -2.12 2.85 -1.26 -5.02 115.26 101.70 1lof n ASN 39 Ca 0.01 0.23 -0.22 0.00 -0.11 0.00 0.00 54.58 54.49 1lof n ASN 39 Cb 0.47 -3.47 0.09 0.00 1.24 0.00 0.00 39.78 38.12 1lof n ASN 39 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1lof s THR 40 N -2.47 2.13 -0.07 -0.44 -4.23 -1.26 -4.95 115.64 104.36 1lof s THR 40 Ca 0.00 -0.75 -0.05 0.00 -1.18 0.00 0.00 61.69 59.71 1lof s THR 40 Cb 0.00 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.48 1lof s THR 40 CO 0.00 0.00 0.18 0.54 -0.54 0.00 0.00 174.62 174.80 1lof s VAL 41 N -2.97 -0.01 -0.01 2.29 0.11 -1.26 -4.78 120.40 113.77 1lof s VAL 41 Ca 0.65 0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.78 1lof s VAL 41 Cb -0.05 -0.27 -0.01 0.00 -1.53 0.00 0.00 36.38 34.52 1lof s VAL 41 CO 0.42 0.02 -0.12 -0.83 -3.33 0.00 0.00 175.10 171.27 1lof s GLY 42 N 0.42 0.58 0.07 6.54 0.00 -1.14 -0.44 107.32 113.35 1lof s GLY 42 Ca -0.03 -0.49 0.03 0.00 0.00 0.00 0.00 44.72 44.23 1lof s GLY 42 CO -0.02 -0.38 -0.09 0.50 0.00 0.00 0.00 173.10 173.11 1lof s ARG 43 N -0.22 0.71 -0.03 2.90 0.52 0.02 -4.84 118.95 118.01 1lof s ARG 43 Ca 0.03 -1.01 0.00 0.00 -0.52 0.00 0.00 55.73 54.24 1lof s ARG 43 Cb -0.05 -0.39 0.03 0.00 0.52 0.00 0.00 34.95 35.05 1lof s ARG 43 CO -0.00 0.06 0.01 0.00 0.02 0.00 0.00 175.30 175.38 1lof s ALA 44 N -2.12 0.33 0.01 2.13 0.00 -1.26 -1.59 121.76 119.25 1lof s ALA 44 Ca -0.00 0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.18 1lof s ALA 44 Cb -0.05 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1lof s ALA 44 CO -0.01 -0.13 -0.23 -0.51 0.00 0.00 0.00 175.76 174.88 1lof s LEU 45 N 1.17 2.27 0.31 0.00 1.43 -0.25 -4.93 118.68 118.69 1lof s LEU 45 Ca -0.08 -0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 52.26 1lof s LEU 45 Cb -0.13 -1.38 -0.10 0.00 0.03 0.00 0.00 46.19 44.61 1lof s LEU 45 CO -0.02 0.29 1.24 -0.47 0.23 0.00 0.00 176.35 177.62 1lof s TYR 46 N -0.75 3.22 0.35 0.29 5.04 -1.26 -0.23 117.35 124.00 1lof s TYR 46 Ca 0.12 1.50 0.03 0.00 -2.44 0.00 0.00 57.07 56.28 1lof s TYR 46 Cb -0.10 -3.56 0.63 0.00 0.35 0.00 0.00 41.96 39.29 1lof s TYR 46 CO 0.01 -1.45 1.96 0.66 -1.34 0.00 0.00 175.55 175.39 1lof h SER 47 N 3.55 0.63 -3.91 4.32 4.64 -1.43 -3.44 113.55 117.92 1lof h SER 47 Ca -0.48 -0.05 -0.46 0.00 -0.47 0.00 0.00 61.79 60.32 1lof h SER 47 Cb 1.22 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 1lof h SER 47 CO 0.66 0.54 0.34 -0.55 -0.87 0.00 0.00 176.83 176.94 1lof s SER 48 N -6.59 7.25 0.88 4.97 0.15 -1.26 -5.04 113.70 114.06 1lof s SER 48 Ca -0.09 1.79 -0.10 0.00 0.70 0.00 0.00 55.95 58.25 1lof s SER 48 Cb 0.17 -2.57 0.12 0.00 -1.71 0.00 0.00 66.02 62.04 1lof s SER 48 CO 0.76 -0.12 1.13 -2.84 1.20 0.00 0.00 173.24 173.37 1lof s PRO 49 N -2.28 1.31 -0.07 5.44 0.02 -1.26 -5.04 135.00 133.12 1lof s PRO 49 Ca 0.52 1.42 0.02 0.00 0.02 0.00 0.00 61.00 62.98 1lof s PRO 49 Cb -0.17 -1.77 0.02 0.00 0.02 0.00 0.00 34.50 32.60 1lof s PRO 49 CO 0.22 -2.39 -0.11 0.42 -0.33 0.00 0.00 177.00 174.81 1lof s ILE 50 N -2.72 1.06 -0.75 2.83 1.01 -1.26 -5.07 121.20 116.30 1lof s ILE 50 Ca 0.65 -0.42 -0.26 0.00 0.00 0.00 0.00 60.65 60.62 1lof s ILE 50 Cb -0.21 -0.99 0.04 0.00 0.01 0.00 0.00 42.46 41.30 1lof s ILE 50 CO 0.58 0.34 1.26 -2.28 0.00 0.00 0.00 174.94 174.84 1lof s HIS 51 N 0.82 2.34 -0.17 3.97 2.46 -1.26 -4.84 115.29 118.60 1lof s HIS 51 Ca -0.12 -0.16 -0.00 0.00 0.47 0.00 0.00 55.06 55.25 1lof s HIS 51 Cb -0.15 -4.60 -0.22 0.00 -0.13 0.00 0.00 32.58 27.47 1lof s HIS 51 CO 0.02 -2.03 0.14 1.51 -2.47 0.00 0.00 174.74 171.91 1lof n ILE 52 N 6.37 1.63 -4.15 0.89 0.13 -1.26 -4.81 119.36 118.17 1lof n ILE 52 Ca 0.05 -0.65 -0.10 0.00 -1.10 0.00 0.00 62.75 60.95 1lof n ILE 52 Cb 0.49 -1.48 -0.10 0.00 -0.84 0.00 0.00 39.64 37.71 1lof n ILE 52 CO 0.00 0.00 0.00 -1.66 2.80 0.00 0.00 176.55 177.69 1lof s TRP 53 N -2.54 0.91 -0.11 9.51 1.48 -1.26 -1.29 118.94 125.63 1lof s TRP 53 Ca -0.25 -1.24 0.02 0.00 -1.06 0.00 0.00 56.10 53.57 1lof s TRP 53 Cb 0.08 -0.46 0.01 0.00 -1.16 0.00 0.00 33.47 31.94 1lof s TRP 53 CO 0.71 -0.59 -0.16 0.34 -4.06 0.00 0.00 176.95 173.19 1lof s ASP 54 N -3.08 2.53 0.40 -2.66 2.15 -0.23 -5.00 116.67 110.78 1lof s ASP 54 Ca 0.28 -0.45 0.21 0.00 0.43 0.00 0.00 52.55 53.03 1lof s ASP 54 Cb 0.07 -1.14 0.38 0.00 -0.30 0.00 0.00 42.92 41.93 1lof s ASP 54 CO 0.05 0.03 1.60 0.77 -0.17 0.00 0.00 175.17 177.45 1lof h SER 55 N 7.37 0.00 0.19 -0.34 4.64 -1.92 0.11 113.55 123.59 1lof h SER 55 Ca -0.31 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 1lof h SER 55 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1lof h SER 55 CO 0.50 0.17 -0.09 0.50 -0.87 0.00 0.00 176.83 177.04 1lof h LYS 56 N 0.00 -0.25 0.00 4.77 3.64 -1.96 -3.30 116.57 119.47 1lof h LYS 56 Ca -0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1lof h LYS 56 Cb 1.06 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1lof h LYS 56 CO 0.02 0.11 -0.72 1.79 -2.27 0.00 0.00 179.45 178.38 1lof h THR 57 N -0.67 0.10 0.00 1.00 1.35 -2.01 -3.47 112.91 109.21 1lof h THR 57 Ca -0.03 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1lof h THR 57 Cb 0.48 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1lof h THR 57 CO 0.04 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1lof n GLY 58 N 1.18 1.56 3.76 5.82 0.00 0.37 -5.03 105.19 112.85 1lof n GLY 58 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1lof n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lof s ASN 59 N -3.27 5.61 0.25 1.61 -0.87 -1.22 -4.73 114.94 112.32 1lof s ASN 59 Ca 0.00 2.52 0.12 0.00 -1.57 0.00 0.00 52.86 53.93 1lof s ASN 59 Cb 0.00 -2.62 -0.05 0.00 -0.02 0.00 0.00 41.25 38.57 1lof s ASN 59 CO 0.00 -1.32 -0.19 -0.69 -2.57 0.00 0.00 177.10 172.32 1lof s VAL 60 N -1.45 2.54 0.20 1.60 1.01 -1.26 -1.06 120.40 121.98 1lof s VAL 60 Ca 0.69 -2.24 -0.06 0.00 0.00 0.00 0.00 61.98 60.38 1lof s VAL 60 Cb -0.34 -2.30 -0.06 0.00 0.00 0.00 0.00 36.38 33.68 1lof s VAL 60 CO 0.40 -0.31 0.46 0.00 0.00 0.00 0.00 175.10 175.66 1lof s ALA 61 N -2.23 3.70 0.08 5.51 0.00 -0.42 -4.88 121.76 123.54 1lof s ALA 61 Ca 0.27 -0.50 -0.17 0.00 0.00 0.00 0.00 51.96 51.56 1lof s ALA 61 Cb -0.06 -2.23 -0.07 0.00 0.00 0.00 0.00 23.12 20.76 1lof s ALA 61 CO 0.14 0.52 0.53 -0.80 0.00 0.00 0.00 175.76 176.15 1lof s ASN 62 N -2.62 6.94 0.05 0.00 0.01 -1.26 -4.29 114.94 113.77 1lof s ASN 62 Ca 0.43 1.15 -0.15 0.00 -0.71 0.00 0.00 52.86 53.58 1lof s ASN 62 Cb -0.11 -2.32 0.02 0.00 0.41 0.00 0.00 41.25 39.25 1lof s ASN 62 CO 0.25 0.23 0.34 0.72 -1.51 0.00 0.00 177.10 177.13 1lof s PHE 63 N -1.22 -0.15 0.02 2.20 -0.12 -0.75 -4.96 117.98 113.00 1lof s PHE 63 Ca 0.31 0.01 0.05 0.00 -0.05 0.00 0.00 56.93 57.24 1lof s PHE 63 Cb -0.17 0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.34 1lof s PHE 63 CO 0.18 -0.54 -0.15 0.14 -0.05 0.00 0.00 175.22 174.80 1lof s VAL 64 N -2.70 1.16 0.03 -2.49 -7.23 -1.26 -0.41 120.40 107.49 1lof s VAL 64 Ca -0.04 -0.83 0.01 0.00 -1.81 0.00 0.00 61.98 59.31 1lof s VAL 64 Cb -0.00 -1.01 -0.02 0.00 0.56 0.00 0.00 36.38 35.91 1lof s VAL 64 CO -0.04 0.17 -0.05 0.28 -0.31 0.00 0.00 175.10 175.15 1lof s THR 65 N -0.59 0.29 -0.01 5.32 -1.32 -0.47 -4.99 115.64 113.85 1lof s THR 65 Ca 0.04 -0.88 -0.05 0.00 -1.21 0.00 0.00 61.69 59.59 1lof s THR 65 Cb -0.07 -0.38 0.00 0.00 -1.51 0.00 0.00 72.50 70.54 1lof s THR 65 CO 0.00 -0.39 0.11 -0.94 -2.21 0.00 0.00 174.62 171.19 1lof s SER 66 N -1.34 0.01 0.10 8.08 1.04 -1.26 -0.68 113.70 119.65 1lof s SER 66 Ca -0.12 -0.10 -0.14 0.00 0.48 0.00 0.00 55.95 56.07 1lof s SER 66 Cb -0.09 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.26 1lof s SER 66 CO -0.00 -0.25 0.34 0.72 0.98 0.00 0.00 173.24 175.02 1lof s PHE 67 N -0.91 -0.11 -0.08 5.02 -0.71 -0.82 -5.00 117.98 115.37 1lof s PHE 67 Ca -0.10 -0.18 0.02 0.00 -1.04 0.00 0.00 56.93 55.63 1lof s PHE 67 Cb -0.06 0.16 -0.02 0.00 -1.21 0.00 0.00 43.02 41.89 1lof s PHE 67 CO 0.01 -0.62 -0.12 0.99 -1.34 0.00 0.00 175.22 174.13 1lof s THR 68 N -3.51 3.21 0.20 -4.49 2.01 -1.26 -0.49 115.64 111.30 1lof s THR 68 Ca 0.02 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.33 1lof s THR 68 Cb 0.02 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 1lof s THR 68 CO -0.10 0.57 0.21 0.72 -0.69 0.00 0.00 174.62 175.34 1lof s PHE 69 N -0.42 0.92 -0.03 4.92 -0.71 -0.71 -4.95 117.98 117.00 1lof s PHE 69 Ca 0.05 -1.19 -0.03 0.00 -1.04 0.00 0.00 56.93 54.72 1lof s PHE 69 Cb -0.12 -0.36 0.01 0.00 -1.21 0.00 0.00 43.02 41.34 1lof s PHE 69 CO 0.02 -0.72 0.08 0.08 -1.34 0.00 0.00 175.22 173.35 1lof s VAL 70 N -4.11 -0.00 -0.05 -2.49 1.01 -1.26 -1.36 120.40 112.14 1lof s VAL 70 Ca 0.33 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.36 1lof s VAL 70 Cb 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.28 1lof s VAL 70 CO 0.10 0.00 -0.14 -0.63 0.00 0.00 0.00 175.10 174.43 1lof s ILE 71 N 0.09 3.05 -0.32 2.22 1.01 -1.26 -5.04 121.20 120.94 1lof s ILE 71 Ca -0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 1lof s ILE 71 Cb -0.01 -2.19 0.12 0.00 0.01 0.00 0.00 42.46 40.39 1lof s ILE 71 CO -0.00 0.58 0.17 -0.62 0.00 0.00 0.00 174.94 175.08 1lof s ASP 72 N -0.75 3.25 0.31 3.58 -1.08 -1.26 -0.87 116.67 119.85 1lof s ASP 72 Ca 0.12 -1.78 -0.08 0.00 -0.52 0.00 0.00 52.55 50.29 1lof s ASP 72 Cb -0.11 -0.39 -0.06 0.00 -1.46 0.00 0.00 42.92 40.90 1lof s ASP 72 CO 0.01 -0.37 0.63 0.00 0.52 0.00 0.00 175.17 175.95 1lof s ALA 73 N 1.53 3.52 0.41 3.66 0.00 -1.26 -4.83 121.76 124.80 1lof s ALA 73 Ca 0.14 -0.37 0.26 0.00 0.00 0.00 0.00 51.96 51.99 1lof s ALA 73 Cb -0.20 -2.47 1.35 0.00 0.00 0.00 0.00 23.12 21.80 1lof s ALA 73 CO -0.16 0.22 1.63 -1.00 0.00 0.00 0.00 175.76 176.45 1lof h PRO 74 N 1.74 0.12 -2.15 0.00 0.13 -1.99 -3.45 132.00 126.40 1lof h PRO 74 Ca -0.47 -0.01 0.20 0.00 -0.87 0.00 0.00 66.00 64.85 1lof h PRO 74 Cb 1.18 -0.03 -0.10 0.00 0.13 0.00 0.00 31.00 32.19 1lof h PRO 74 CO 0.66 0.08 0.56 0.54 -0.23 0.00 0.00 178.00 179.61 1lof s ASN 75 N -4.60 -0.18 0.00 1.44 4.22 -1.26 -5.05 114.94 109.51 1lof s ASN 75 Ca -0.08 -0.28 0.03 0.00 -2.14 0.00 0.00 52.86 50.39 1lof s ASN 75 Cb 0.30 0.40 0.19 0.00 1.28 0.00 0.00 41.25 43.43 1lof s ASN 75 CO 0.81 -0.73 0.53 -1.20 -2.04 0.00 0.00 177.10 174.47 1lof n SER 76 N -0.43 0.00 -0.06 3.54 7.64 -1.26 -3.56 113.62 119.49 1lof n SER 76 Ca -0.07 -0.43 -0.12 0.00 1.01 0.00 0.00 58.87 59.27 1lof n SER 76 Cb 0.61 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.76 1lof n SER 76 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1lof n TYR 77 N -0.69 0.00 -3.15 1.43 4.01 -1.26 -4.82 117.16 112.68 1lof n TYR 77 Ca 0.02 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.32 1lof n TYR 77 Cb 0.01 -0.45 -0.01 0.00 -0.31 0.00 0.00 39.34 38.59 1lof n TYR 77 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1lof s ASN 78 N -5.87 7.01 -0.00 7.72 0.01 -1.23 -4.91 114.94 117.67 1lof s ASN 78 Ca -0.17 -2.95 0.00 0.00 -0.71 0.00 0.00 52.86 49.03 1lof s ASN 78 Cb 0.06 -2.30 0.00 0.00 0.41 0.00 0.00 41.25 39.42 1lof s ASN 78 CO 0.23 -0.62 -0.00 -0.69 -1.51 0.00 0.00 177.10 174.51 1lof s VAL 79 N 0.58 0.03 -0.16 1.60 1.01 -1.26 -4.32 120.40 117.87 1lof s VAL 79 Ca 0.32 -0.00 -0.34 0.00 0.00 0.00 0.00 61.98 61.96 1lof s VAL 79 Cb -0.07 -0.05 0.13 0.00 0.00 0.00 0.00 36.38 36.40 1lof s VAL 79 CO -0.06 0.02 1.16 0.00 0.00 0.00 0.00 175.10 176.22 1lof s ALA 80 N 0.09 -2.04 -0.12 5.51 0.00 -1.26 -4.52 121.76 119.41 1lof s ALA 80 Ca -0.01 1.52 0.19 0.00 0.00 0.00 0.00 51.96 53.66 1lof s ALA 80 Cb -0.01 -0.04 -0.23 0.00 0.00 0.00 0.00 23.12 22.84 1lof s ALA 80 CO -0.00 -0.61 0.48 -0.25 0.00 0.00 0.00 175.76 175.38 1lof n ASP 81 N -0.11 0.33 0.00 0.00 8.00 -1.26 -4.99 116.55 118.52 1lof n ASP 81 Ca -0.01 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1lof n ASP 81 Cb 0.59 0.97 0.00 0.00 -0.02 0.00 0.00 41.12 42.66 1lof n ASP 81 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lof n GLY 82 N 1.47 0.80 3.11 0.44 0.00 -1.26 -1.81 105.19 107.93 1lof n GLY 82 Ca -0.16 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 43.96 1lof n GLY 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1lof s PHE 83 N -2.57 0.36 -0.03 1.61 2.19 -0.68 -4.96 117.98 113.90 1lof s PHE 83 Ca 0.00 -0.82 -0.05 0.00 0.33 0.00 0.00 56.93 56.39 1lof s PHE 83 Cb 0.00 -0.26 0.01 0.00 -1.31 0.00 0.00 43.02 41.46 1lof s PHE 83 CO 0.00 -0.39 0.12 0.99 1.83 0.00 0.00 175.22 177.77 1lof s THR 84 N -3.44 0.03 -0.16 0.12 2.01 -1.26 -0.95 115.64 111.99 1lof s THR 84 Ca 0.02 -0.22 -0.04 0.00 0.31 0.00 0.00 61.69 61.77 1lof s THR 84 Cb 0.04 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.28 1lof s THR 84 CO -0.08 -0.12 -0.04 0.12 -0.69 0.00 0.00 174.62 173.81 1lof s PHE 85 N -0.37 3.02 0.14 4.92 5.36 -0.18 -4.97 117.98 125.91 1lof s PHE 85 Ca -0.04 -0.33 0.00 0.00 -0.96 0.00 0.00 56.93 55.60 1lof s PHE 85 Cb -0.03 -1.96 -0.04 0.00 -0.34 0.00 0.00 43.02 40.64 1lof s PHE 85 CO 0.00 -0.06 0.02 -0.59 -1.46 0.00 0.00 175.22 173.14 1lof s PHE 86 N 0.41 0.97 -0.09 10.12 -0.12 -1.26 -0.41 117.98 127.60 1lof s PHE 86 Ca -0.04 -1.12 0.01 0.00 -0.05 0.00 0.00 56.93 55.72 1lof s PHE 86 Cb -0.14 -0.56 0.02 0.00 -0.63 0.00 0.00 43.02 41.71 1lof s PHE 86 CO 0.03 -0.37 -0.09 0.42 -0.05 0.00 0.00 175.22 175.16 1lof s ILE 87 N -3.87 1.00 0.22 -4.49 1.01 -0.85 -5.02 121.20 109.21 1lof s ILE 87 Ca 0.22 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.48 1lof s ILE 87 Cb 0.07 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 1lof s ILE 87 CO 0.01 0.35 0.28 0.00 0.00 0.00 0.00 174.94 175.58 1lof s ALA 88 N 1.28 0.58 0.82 9.38 0.00 -1.26 -2.24 121.76 130.33 1lof s ALA 88 Ca -0.03 -1.36 -0.13 0.00 0.00 0.00 0.00 51.96 50.44 1lof s ALA 88 Cb -0.14 1.26 0.09 0.00 0.00 0.00 0.00 23.12 24.33 1lof s ALA 88 CO -0.03 -0.70 1.20 -2.14 0.00 0.00 0.00 175.76 174.08 1lof s PRO 89 N -4.08 1.55 0.53 0.00 0.02 -1.26 -4.88 135.00 126.88 1lof s PRO 89 Ca 0.32 1.73 0.24 0.00 0.02 0.00 0.00 61.00 63.31 1lof s PRO 89 Cb 0.04 -1.77 1.38 0.00 0.02 0.00 0.00 34.50 34.16 1lof s PRO 89 CO 0.11 -2.28 2.02 0.28 -0.33 0.00 0.00 177.00 176.81 1lof h VAL 90 N -1.04 0.78 -0.35 3.83 2.07 -1.99 -0.92 116.25 118.63 1lof h VAL 90 Ca -0.46 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 1lof h VAL 90 Cb 1.29 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1lof h VAL 90 CO 0.45 0.00 0.06 -0.90 0.02 0.00 0.00 177.57 177.20 1lof n ASP 91 N -4.40 3.58 -4.73 0.57 5.68 -1.26 -4.99 116.55 110.99 1lof n ASP 91 Ca 0.07 -2.57 -0.42 0.00 -0.50 0.00 0.00 54.79 51.37 1lof n ASP 91 Cb 0.51 -0.62 -0.01 0.00 -1.14 0.00 0.00 41.12 39.86 1lof n ASP 91 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1lof n THR 92 N 0.22 1.23 -4.40 2.12 5.66 -0.35 -5.02 114.28 113.74 1lof n THR 92 Ca 0.18 -0.31 -0.24 0.00 -3.05 0.00 0.00 64.05 60.63 1lof n THR 92 Cb 0.83 -1.85 -0.11 0.00 -1.55 0.00 0.00 70.33 67.66 1lof n THR 92 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1lof s LYS 93 N -0.83 1.48 0.21 1.09 1.02 -1.26 -5.10 119.74 116.35 1lof s LYS 93 Ca 0.62 -1.57 -0.31 0.00 0.02 0.00 0.00 55.97 54.74 1lof s LYS 93 Cb -0.53 -1.61 -0.15 0.00 -0.52 0.00 0.00 37.83 35.02 1lof s LYS 93 CO 0.52 0.32 1.15 -2.30 -0.92 0.00 0.00 175.35 174.13 1lof n PRO 94 N -0.03 1.32 0.00 -1.68 -0.02 -1.26 -4.96 135.00 128.37 1lof n PRO 94 Ca -0.10 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1lof n PRO 94 Cb 0.58 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1lof n PRO 94 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1lof n GLN 95 N 1.52 3.50 -2.53 -0.52 1.13 -0.22 -4.98 117.38 115.28 1lof n GLN 95 Ca 0.13 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.81 1lof n GLN 95 Cb 0.27 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.58 1lof n GLN 95 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1lof s THR 96 N 3.85 3.66 0.00 5.09 2.01 -1.04 -4.66 115.64 124.54 1lof s THR 96 Ca 0.00 1.45 0.00 0.00 0.31 0.00 0.00 61.69 63.45 1lof s THR 96 Cb 0.00 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.67 1lof s THR 96 CO 0.00 0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 1lof n GLY 97 N 0.78 0.69 7.00 4.40 0.00 -1.26 -0.95 105.19 115.84 1lof n GLY 97 Ca 0.02 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1lof n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lof n GLY 98 N 4.96 2.73 0.00 -0.02 0.00 -1.26 -1.74 105.19 109.86 1lof n GLY 98 Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 46.02 45.83 1lof n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lof n GLY 99 N 0.00 -0.46 0.52 -0.02 0.00 -1.26 -1.30 105.19 102.67 1lof n GLY 99 Ca 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1lof n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1lof n TYR 100 N -1.33 0.00 -2.25 1.61 4.01 -0.71 -4.96 117.16 113.53 1lof n TYR 100 Ca 0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.57 1lof n TYR 100 Cb 0.03 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.04 1lof n TYR 100 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1lof n LEU 101 N 0.28 -1.66 -1.47 7.72 4.32 -0.42 -1.52 117.00 124.24 1lof n LEU 101 Ca 0.18 0.12 -0.18 0.00 -0.02 0.00 0.00 56.01 56.11 1lof n LEU 101 Cb 0.38 -2.71 -0.07 0.00 -1.62 0.00 0.00 43.42 39.41 1lof n LEU 101 CO 0.16 -0.33 -0.18 0.61 -1.22 0.00 0.00 177.39 176.43 1lof n GLY 102 N -0.85 1.42 0.00 -0.72 0.00 -0.13 -4.79 105.19 100.12 1lof n GLY 102 Ca -0.21 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1lof n GLY 102 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1lof n VAL 103 N -2.73 0.00 -4.48 1.61 3.14 -0.58 -1.06 118.33 114.24 1lof n VAL 103 Ca -0.18 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 60.96 1lof n VAL 103 Cb 0.60 0.03 -0.09 0.00 -1.06 0.00 0.00 33.84 33.31 1lof n VAL 103 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1lof s PHE 104 N -0.64 1.83 0.00 1.45 0.08 -0.94 -4.71 117.98 115.05 1lof s PHE 104 Ca 0.00 -1.14 0.00 0.00 0.12 0.00 0.00 56.93 55.91 1lof s PHE 104 Cb 0.00 -1.20 0.00 0.00 -0.57 0.00 0.00 43.02 41.25 1lof s PHE 104 CO 0.00 -0.17 0.00 0.09 -0.10 0.00 0.00 175.22 175.04 1lof n ASN 105 N -1.00 0.03 -4.05 1.36 3.02 -1.26 -2.50 115.26 110.86 1lof n ASN 105 Ca -0.04 -0.16 -0.12 0.00 -0.03 0.00 0.00 54.58 54.22 1lof n ASN 105 Cb 0.66 0.33 -0.11 0.00 -0.61 0.00 0.00 39.78 40.05 1lof n ASN 105 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1lof s SER 106 N -0.34 0.76 0.24 6.41 0.15 -1.26 -4.98 113.70 114.68 1lof s SER 106 Ca 0.00 -0.56 0.11 0.00 0.70 0.00 0.00 55.95 56.20 1lof s SER 106 Cb 0.00 0.05 0.22 0.00 -1.71 0.00 0.00 66.02 64.58 1lof s SER 106 CO 0.00 -0.23 1.52 0.50 1.20 0.00 0.00 173.24 176.23 1lof h LYS 107 N 4.45 0.00 -6.47 5.44 3.64 -1.94 -1.27 116.57 120.42 1lof h LYS 107 Ca -0.35 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.49 1lof h LYS 107 Cb 1.20 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1lof h LYS 107 CO 0.42 0.69 0.04 -0.51 -2.27 0.00 0.00 179.45 177.82 1lof s ASP 108 N -6.73 7.00 0.01 4.20 1.01 -1.26 -4.33 116.67 116.56 1lof s ASP 108 Ca -0.00 1.32 -0.34 0.00 0.71 0.00 0.00 52.55 54.24 1lof s ASP 108 Cb 0.11 -2.38 -0.13 0.00 1.01 0.00 0.00 42.92 41.54 1lof s ASP 108 CO 0.77 0.08 1.77 0.00 0.21 0.00 0.00 175.17 177.99 1lof n TYR 109 N 0.85 2.31 -4.01 4.23 9.36 -1.26 -4.62 117.16 124.02 1lof n TYR 109 Ca -0.04 0.09 -0.31 0.00 3.32 0.00 0.00 57.90 60.96 1lof n TYR 109 Cb 0.51 -2.62 -0.15 0.00 -0.63 0.00 0.00 39.34 36.45 1lof n TYR 109 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1lof s ASP 110 N 2.89 3.94 0.53 2.98 2.15 -0.58 -4.99 116.67 123.59 1lof s ASP 110 Ca 0.87 -1.17 0.32 0.00 0.43 0.00 0.00 52.55 53.01 1lof s ASP 110 Cb -0.68 -1.36 1.25 0.00 -0.30 0.00 0.00 42.92 41.82 1lof s ASP 110 CO 0.46 -0.18 1.94 0.07 -0.17 0.00 0.00 175.17 177.29 1lof h LYS 111 N 7.88 0.00 0.00 4.34 2.10 -1.93 -2.91 116.57 126.05 1lof h LYS 111 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 1lof h LYS 111 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1lof h LYS 111 CO 0.46 0.00 0.00 1.79 -2.00 0.00 0.00 179.45 179.70 1lof h THR 112 N 0.00 0.00 -0.84 0.07 1.35 -1.96 -3.24 112.91 108.30 1lof h THR 112 Ca 0.00 -0.69 -0.04 0.00 -0.55 0.00 0.00 66.41 65.13 1lof h THR 112 Cb 0.56 1.66 -0.04 0.00 -1.73 0.00 0.00 68.15 68.61 1lof h THR 112 CO 0.00 0.00 0.39 0.77 -0.25 0.00 0.00 175.52 176.43 1lof h SER 113 N 0.00 1.11 -6.43 5.36 4.64 -1.87 -3.47 113.55 112.89 1lof h SER 113 Ca 0.00 -0.15 -0.49 0.00 -0.47 0.00 0.00 61.79 60.68 1lof h SER 113 Cb 0.75 -0.29 -0.08 0.00 -0.31 0.00 0.00 62.40 62.48 1lof h SER 113 CO 0.00 0.95 -0.81 0.00 -0.87 0.00 0.00 176.83 176.10 1lof n GLN 114 N -4.30 -4.43 -4.94 4.77 6.02 -1.23 -4.69 117.38 108.58 1lof n GLN 114 Ca 0.08 0.51 -0.27 0.00 -0.01 0.00 0.00 57.00 57.31 1lof n GLN 114 Cb 0.15 -5.19 -0.16 0.00 1.02 0.00 0.00 30.24 26.07 1lof n GLN 114 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1lof s THR 115 N -3.45 1.57 0.02 5.09 -4.23 -1.26 -4.00 115.64 109.38 1lof s THR 115 Ca 0.50 -0.81 0.06 0.00 -1.18 0.00 0.00 61.69 60.26 1lof s THR 115 Cb -0.26 -1.33 -0.03 0.00 1.34 0.00 0.00 72.50 72.22 1lof s THR 115 CO 0.87 0.45 -0.16 0.68 -0.54 0.00 0.00 174.62 175.91 1lof s VAL 116 N -0.16 2.91 0.03 2.29 -7.23 -0.95 -1.87 120.40 115.42 1lof s VAL 116 Ca 0.00 -1.07 0.02 0.00 -1.81 0.00 0.00 61.98 59.11 1lof s VAL 116 Cb -0.10 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.60 1lof s VAL 116 CO 0.01 0.38 -0.06 0.00 -0.31 0.00 0.00 175.10 175.12 1lof s ALA 117 N -0.90 0.46 -0.22 1.32 0.00 -0.09 -2.01 121.76 120.31 1lof s ALA 117 Ca 0.14 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 1lof s ALA 117 Cb -0.11 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1lof s ALA 117 CO 0.05 -0.01 -0.03 0.08 0.00 0.00 0.00 175.76 175.84 1lof s VAL 118 N -1.08 3.45 0.27 0.00 1.01 0.45 -1.40 120.40 123.10 1lof s VAL 118 Ca -0.08 -0.47 0.11 0.00 0.00 0.00 0.00 61.98 61.54 1lof s VAL 118 Cb -0.08 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1lof s VAL 118 CO 0.00 0.42 -0.11 -1.83 0.00 0.00 0.00 175.10 173.58 1lof s GLU 119 N 1.47 1.96 -0.37 2.72 -1.05 -0.77 -1.01 118.70 121.65 1lof s GLU 119 Ca 0.06 -1.60 0.01 0.00 -0.15 0.00 0.00 54.97 53.28 1lof s GLU 119 Cb -0.14 -1.95 0.14 0.00 -0.44 0.00 0.00 34.13 31.74 1lof s GLU 119 CO -0.03 0.35 0.24 -0.06 0.95 0.00 0.00 175.26 176.71 1lof s PHE 120 N -2.41 0.95 -0.26 4.83 0.40 -0.13 -1.52 117.98 119.84 1lof s PHE 120 Ca 0.30 -1.85 -0.19 0.00 -0.60 0.00 0.00 56.93 54.60 1lof s PHE 120 Cb -0.06 -1.04 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 1lof s PHE 120 CO 0.17 -0.82 0.58 0.34 0.70 0.00 0.00 175.22 176.19 1lof s ASP 121 N 0.80 6.51 0.00 1.36 -1.08 -0.29 -1.69 116.67 122.27 1lof s ASP 121 Ca 0.21 0.59 0.17 0.00 -0.52 0.00 0.00 52.55 53.00 1lof s ASP 121 Cb -0.18 -2.31 0.32 0.00 -1.46 0.00 0.00 42.92 39.28 1lof s ASP 121 CO -0.03 -0.35 1.24 0.35 0.52 0.00 0.00 175.17 176.90 1lof n THR 122 N 5.21 0.52 -4.00 1.71 -2.24 -0.75 -1.91 114.28 112.82 1lof n THR 122 Ca -0.02 -0.76 -0.16 0.00 -2.27 0.00 0.00 64.05 60.84 1lof n THR 122 Cb 0.49 0.92 -0.15 0.00 -2.10 0.00 0.00 70.33 69.49 1lof n THR 122 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1lof s PHE 123 N -1.22 0.32 -0.19 4.78 2.19 -1.20 -4.41 117.98 118.25 1lof s PHE 123 Ca 0.29 -0.04 -0.26 0.00 0.33 0.00 0.00 56.93 57.25 1lof s PHE 123 Cb 0.17 -0.30 -0.01 0.00 -1.31 0.00 0.00 43.02 41.57 1lof s PHE 123 CO 0.24 -0.07 0.87 -0.47 1.83 0.00 0.00 175.22 177.62 1lof s TYR 124 N 0.44 3.39 -0.22 10.12 5.04 -1.26 -5.02 117.35 129.83 1lof s TYR 124 Ca -0.04 1.27 0.02 0.00 -2.44 0.00 0.00 57.07 55.88 1lof s TYR 124 Cb -0.07 -3.07 0.04 0.00 0.35 0.00 0.00 41.96 39.22 1lof s TYR 124 CO -0.01 -0.31 -0.14 -0.80 -1.34 0.00 0.00 175.55 172.95 1lof s ASN 125 N 1.21 3.81 0.35 4.32 -0.87 -1.26 -5.01 114.94 117.49 1lof s ASN 125 Ca 0.39 -1.05 0.13 0.00 -1.57 0.00 0.00 52.86 50.76 1lof s ASN 125 Cb -0.16 -1.46 0.97 0.00 -0.02 0.00 0.00 41.25 40.59 1lof s ASN 125 CO 0.11 -0.12 1.75 0.71 -2.57 0.00 0.00 177.10 176.98 1lof h THR 126 N 6.43 0.54 0.00 1.60 1.35 -1.95 -1.08 112.91 119.80 1lof h THR 126 Ca -0.29 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1lof h THR 126 Cb 1.08 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1lof h THR 126 CO 0.52 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 175.88 1lof h ALA 127 N 1.67 1.00 0.00 6.62 0.00 -2.02 -3.37 119.26 123.17 1lof h ALA 127 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1lof h ALA 127 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1lof h ALA 127 CO -0.39 0.00 0.00 -2.67 0.00 0.00 0.00 179.25 176.19 1lof n TRP 128 N -2.86 0.00 -3.64 0.00 2.14 -0.87 -5.09 117.44 107.12 1lof n TRP 128 Ca 0.01 0.00 -0.29 0.00 2.07 0.00 0.00 57.50 59.29 1lof n TRP 128 Cb 0.26 0.02 -0.04 0.00 -0.81 0.00 0.00 31.31 30.74 1lof n TRP 128 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1lof s ASP 129 N 0.00 6.43 -0.41 -0.67 1.01 -0.46 -4.61 116.67 117.96 1lof s ASP 129 Ca 0.00 0.51 -0.38 0.00 0.71 0.00 0.00 52.55 53.39 1lof s ASP 129 Cb 0.00 -2.06 -0.16 0.00 1.01 0.00 0.00 42.92 41.71 1lof s ASP 129 CO 0.00 -0.03 1.35 -2.65 0.21 0.00 0.00 175.17 174.05 1lof n PRO 130 N -0.42 0.00 0.28 8.23 -0.02 -1.26 -4.83 135.00 136.97 1lof n PRO 130 Ca -0.03 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.57 1lof n PRO 130 Cb 0.53 -1.23 0.79 0.00 -0.02 0.00 0.00 33.50 33.57 1lof n PRO 130 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1lof h SER 131 N 4.42 0.00 0.13 2.55 0.02 -1.95 -0.62 113.55 118.09 1lof h SER 131 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1lof h SER 131 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1lof h SER 131 CO 0.81 0.02 0.00 -0.46 -1.14 0.00 0.00 176.83 176.06 1lof n ASN 132 N -4.08 0.07 0.00 3.07 0.23 -1.26 -4.83 115.26 108.46 1lof n ASN 132 Ca -0.03 0.53 0.00 0.00 -0.53 0.00 0.00 54.58 54.55 1lof n ASN 132 Cb 0.11 -0.54 0.00 0.00 -2.08 0.00 0.00 39.78 37.27 1lof n ASN 132 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1lof n GLY 133 N -1.12 2.09 3.73 4.83 0.00 -0.24 -4.99 105.19 109.48 1lof n GLY 133 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1lof n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lof s ASP 134 N -3.53 4.52 0.77 1.61 1.01 -1.26 -4.69 116.67 115.09 1lof s ASP 134 Ca 0.00 2.61 -0.11 0.00 0.71 0.00 0.00 52.55 55.76 1lof s ASP 134 Cb 0.00 -2.62 0.06 0.00 1.01 0.00 0.00 42.92 41.37 1lof s ASP 134 CO 0.00 -2.06 1.10 -0.13 0.21 0.00 0.00 175.17 174.29 1lof s ARG 135 N -3.43 2.21 -0.07 8.23 0.52 -1.26 -4.84 118.95 120.31 1lof s ARG 135 Ca 0.82 1.25 -0.30 0.00 -0.52 0.00 0.00 55.73 56.98 1lof s ARG 135 Cb -0.37 -1.89 0.11 0.00 0.52 0.00 0.00 34.95 33.33 1lof s ARG 135 CO 0.41 -1.69 0.97 -3.38 0.02 0.00 0.00 175.30 171.63 1lof s HIS 136 N -2.79 -0.31 -0.06 -0.53 -3.43 -0.80 -2.25 115.29 105.13 1lof s HIS 136 Ca 0.63 0.26 -0.12 0.00 -0.80 0.00 0.00 55.06 55.03 1lof s HIS 136 Cb -0.18 0.52 -0.05 0.00 -1.43 0.00 0.00 32.58 31.43 1lof s HIS 136 CO 0.54 -0.44 0.30 0.42 -2.00 0.00 0.00 174.74 173.56 1lof s ILE 137 N -2.60 5.23 0.11 -5.38 1.01 -0.22 -1.14 121.20 118.21 1lof s ILE 137 Ca 0.05 0.58 -0.00 0.00 0.00 0.00 0.00 60.65 61.28 1lof s ILE 137 Cb -0.01 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1lof s ILE 137 CO -0.06 0.58 -0.00 -0.83 0.00 0.00 0.00 174.94 174.62 1lof s GLY 138 N -0.91 0.83 -0.24 6.18 0.00 -0.58 -0.85 107.32 111.76 1lof s GLY 138 Ca 0.20 -1.39 0.02 0.00 0.00 0.00 0.00 44.72 43.55 1lof s GLY 138 CO 0.09 -1.39 -0.13 -0.42 0.00 0.00 0.00 173.10 171.25 1lof s ILE 139 N -3.87 2.21 -0.25 0.90 1.01 -0.01 -1.86 121.20 119.35 1lof s ILE 139 Ca 0.17 -1.39 -0.07 0.00 0.00 0.00 0.00 60.65 59.36 1lof s ILE 139 Cb 0.07 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 1lof s ILE 139 CO -0.03 0.15 0.06 -1.81 0.00 0.00 0.00 174.94 173.32 1lof s ASP 140 N 1.17 5.09 -0.21 3.58 1.01 -0.50 -0.04 116.67 126.78 1lof s ASP 140 Ca -0.04 -0.21 0.01 0.00 0.71 0.00 0.00 52.55 53.01 1lof s ASP 140 Cb -0.18 -1.91 0.03 0.00 1.01 0.00 0.00 42.92 41.87 1lof s ASP 140 CO -0.07 -0.03 -0.15 0.68 0.21 0.00 0.00 175.17 175.81 1lof s VAL 141 N 1.58 2.30 -1.15 -1.27 -7.23 -1.26 -0.92 120.40 112.44 1lof s VAL 141 Ca 0.06 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 1lof s VAL 141 Cb -0.15 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.72 1lof s VAL 141 CO 0.03 0.39 0.00 0.59 -0.31 0.00 0.00 175.10 175.80 1lof n ASN 142 N 4.61 -4.60 -3.82 4.85 5.03 -0.78 -4.86 115.26 115.68 1lof n ASN 142 Ca -0.19 0.27 -0.09 0.00 0.87 0.00 0.00 54.58 55.44 1lof n ASN 142 Cb 0.48 -3.64 -0.04 0.00 -1.02 0.00 0.00 39.78 35.56 1lof n ASN 142 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1lof s SER 143 N -2.14 -0.21 0.00 6.41 1.04 -1.26 -1.53 113.70 116.00 1lof s SER 143 Ca 0.00 -0.61 0.29 0.00 0.48 0.00 0.00 55.95 56.10 1lof s SER 143 Cb 0.00 0.60 1.18 0.00 0.10 0.00 0.00 66.02 67.90 1lof s SER 143 CO 0.00 -1.11 1.83 0.00 0.98 0.00 0.00 173.24 174.94 1lof n ILE 144 N -0.36 0.00 -3.18 -1.02 0.13 -0.48 -4.66 119.36 109.78 1lof n ILE 144 Ca -0.07 -0.06 -0.43 0.00 -1.10 0.00 0.00 62.75 61.08 1lof n ILE 144 Cb 0.62 -0.06 -0.07 0.00 -0.84 0.00 0.00 39.64 39.29 1lof n ILE 144 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 1lof s LYS 145 N -2.49 3.16 0.60 9.51 2.20 -1.26 -4.95 119.74 126.51 1lof s LYS 145 Ca 0.28 -0.70 -0.19 0.00 -0.36 0.00 0.00 55.97 54.99 1lof s LYS 145 Cb 0.20 -4.02 -0.03 0.00 -1.51 0.00 0.00 37.83 32.47 1lof s LYS 145 CO 0.48 -1.06 1.28 -1.12 -0.36 0.00 0.00 175.35 174.56 1lof s SER 146 N 2.26 5.01 0.13 1.43 0.01 -1.26 -4.72 113.70 116.56 1lof s SER 146 Ca 0.17 2.57 0.26 0.00 1.31 0.00 0.00 55.95 60.25 1lof s SER 146 Cb -0.17 -2.62 0.64 0.00 0.21 0.00 0.00 66.02 64.08 1lof s SER 146 CO 0.14 -1.73 1.58 2.30 0.41 0.00 0.00 173.24 175.94 1lof n ILE 147 N -1.54 0.38 -3.61 1.44 -5.35 0.94 -4.84 119.36 106.78 1lof n ILE 147 Ca 0.14 -0.23 -0.14 0.00 -0.27 0.00 0.00 62.75 62.25 1lof n ILE 147 Cb 0.48 -0.32 -0.07 0.00 -1.74 0.00 0.00 39.64 37.99 1lof n ILE 147 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1lof s ASN 148 N -4.11 -0.68 0.15 7.28 2.47 -1.24 -5.00 114.94 113.82 1lof s ASN 148 Ca 0.09 1.22 0.06 0.00 0.42 0.00 0.00 52.86 54.65 1lof s ASN 148 Cb 0.14 1.20 -0.04 0.00 -1.45 0.00 0.00 41.25 41.10 1lof s ASN 148 CO 0.65 -0.29 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.71 1lof s THR 149 N 0.07 1.46 -0.08 -5.21 2.01 -1.26 -0.83 115.64 111.80 1lof s THR 149 Ca -0.01 -1.94 -0.03 0.00 0.31 0.00 0.00 61.69 60.02 1lof s THR 149 Cb -0.04 -1.76 0.04 0.00 0.01 0.00 0.00 72.50 70.75 1lof s THR 149 CO 0.01 -0.52 0.17 -0.75 -0.69 0.00 0.00 174.62 172.85 1lof s LYS 150 N -3.15 0.09 0.62 4.92 2.20 -0.03 -4.98 119.74 119.42 1lof s LYS 150 Ca 0.15 0.48 -0.18 0.00 -0.36 0.00 0.00 55.97 56.05 1lof s LYS 150 Cb -0.02 -0.19 -0.02 0.00 -1.51 0.00 0.00 37.83 36.08 1lof s LYS 150 CO 0.04 -0.22 1.25 -1.12 -0.36 0.00 0.00 175.35 174.95 1lof s SER 151 N 1.61 4.90 -0.20 1.43 0.01 -1.26 -1.06 113.70 119.13 1lof s SER 151 Ca -0.05 2.52 -0.11 0.00 1.31 0.00 0.00 55.95 59.62 1lof s SER 151 Cb -0.12 -2.61 0.06 0.00 0.21 0.00 0.00 66.02 63.57 1lof s SER 151 CO -0.06 -1.80 0.49 0.86 0.41 0.00 0.00 173.24 173.13 1lof s TRP 152 N -1.48 -0.73 -0.33 2.43 -0.00 -0.95 -4.81 118.94 113.06 1lof s TRP 152 Ca 0.80 1.52 -0.17 0.00 -0.00 0.00 0.00 56.10 58.25 1lof s TRP 152 Cb -0.34 0.37 -0.01 0.00 -0.00 0.00 0.00 33.47 33.49 1lof s TRP 152 CO 0.37 -0.39 0.48 0.21 -0.00 0.00 0.00 176.95 177.61 1lof s LYS 153 N 1.46 3.70 0.02 5.86 2.20 -1.26 -4.24 119.74 127.48 1lof s LYS 153 Ca -0.10 -0.13 -0.30 0.00 -0.36 0.00 0.00 55.97 55.09 1lof s LYS 153 Cb -0.07 -3.78 -0.06 0.00 -1.51 0.00 0.00 37.83 32.40 1lof s LYS 153 CO -0.15 -0.56 1.52 -1.17 -0.36 0.00 0.00 175.35 174.63 1lof s LEU 154 N 2.30 4.33 -0.48 5.43 2.96 -1.26 -4.98 118.68 126.98 1lof s LEU 154 Ca 0.18 2.26 -0.12 0.00 -0.22 0.00 0.00 54.13 56.23 1lof s LEU 154 Cb -0.16 -3.56 0.11 0.00 0.50 0.00 0.00 46.19 43.09 1lof s LEU 154 CO 0.12 -0.80 0.38 -1.10 -1.32 0.00 0.00 176.35 173.63 1lof s GLN 155 N 2.67 2.71 0.18 1.98 -0.21 -1.26 -5.04 119.66 120.69 1lof s GLN 155 Ca 0.68 -1.65 -0.33 0.00 0.02 0.00 0.00 55.36 54.08 1lof s GLN 155 Cb -0.35 -4.04 -0.14 0.00 1.00 0.00 0.00 33.01 29.49 1lof s GLN 155 CO 0.29 -1.18 1.49 -1.71 -2.12 0.00 0.00 175.29 172.06 1lof n ASN 156 N 5.05 2.85 0.00 5.90 5.15 -1.26 -1.58 115.26 131.36 1lof n ASN 156 Ca -0.11 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.98 1lof n ASN 156 Cb 0.41 -1.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.25 1lof n ASN 156 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1lof n GLY 157 N 2.88 0.61 3.88 8.20 0.00 -0.05 -4.99 105.19 115.71 1lof n GLY 157 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1lof n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lof s LYS 158 N -0.38 3.38 0.01 1.61 1.02 -0.62 -4.95 119.74 119.82 1lof s LYS 158 Ca 0.00 -0.28 -0.30 0.00 0.02 0.00 0.00 55.97 55.41 1lof s LYS 158 Cb 0.00 -3.09 -0.06 0.00 -0.52 0.00 0.00 37.83 34.16 1lof s LYS 158 CO 0.00 0.71 1.42 -1.21 -0.92 0.00 0.00 175.35 175.35 1lof s GLU 159 N -1.58 4.28 0.05 1.68 2.02 -1.26 -4.44 118.70 119.45 1lof s GLU 159 Ca 0.22 1.99 0.06 0.00 0.02 0.00 0.00 54.97 57.26 1lof s GLU 159 Cb -0.12 -3.57 -0.04 0.00 0.10 0.00 0.00 34.13 30.51 1lof s GLU 159 CO 0.13 -0.58 -0.11 0.00 0.02 0.00 0.00 175.26 174.71 1lof s ALA 160 N 2.38 2.87 -0.20 5.21 0.00 -0.47 -4.40 121.76 127.15 1lof s ALA 160 Ca 0.64 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.42 1lof s ALA 160 Cb -0.32 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 1lof s ALA 160 CO 0.27 0.61 -0.03 -0.80 0.00 0.00 0.00 175.76 175.81 1lof s ASN 161 N -1.70 4.52 0.13 0.00 0.02 -0.36 -1.73 114.94 115.83 1lof s ASN 161 Ca 0.18 -0.30 0.11 0.00 -1.02 0.00 0.00 52.86 51.83 1lof s ASN 161 Cb -0.11 -1.77 -0.04 0.00 0.02 0.00 0.00 41.25 39.35 1lof s ASN 161 CO 0.09 0.03 -0.26 0.68 0.02 0.00 0.00 177.10 177.66 1lof s VAL 162 N 1.17 2.20 -0.08 1.60 -7.23 0.35 -2.42 120.40 115.98 1lof s VAL 162 Ca 0.02 -1.76 0.05 0.00 -1.81 0.00 0.00 61.98 58.48 1lof s VAL 162 Cb -0.14 -1.95 -0.00 0.00 0.56 0.00 0.00 36.38 34.84 1lof s VAL 162 CO -0.00 0.05 -0.23 -0.69 -0.31 0.00 0.00 175.10 173.92 1lof s VAL 163 N -1.13 1.95 -0.10 1.32 1.01 -0.81 -1.94 120.40 120.71 1lof s VAL 163 Ca 0.14 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1lof s VAL 163 Cb -0.10 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.62 1lof s VAL 163 CO 0.06 0.54 -0.10 -0.63 0.00 0.00 0.00 175.10 174.97 1lof s ILE 164 N 0.17 1.14 0.01 2.22 1.01 0.15 -1.51 121.20 124.38 1lof s ILE 164 Ca -0.12 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.17 1lof s ILE 164 Cb -0.16 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 1lof s ILE 164 CO 0.06 0.37 -0.17 0.00 0.00 0.00 0.00 174.94 175.21 1lof s ALA 165 N 1.23 1.39 -0.08 9.38 0.00 -0.13 -1.37 121.76 132.19 1lof s ALA 165 Ca -0.04 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1lof s ALA 165 Cb -0.14 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1lof s ALA 165 CO -0.03 0.32 -0.15 0.12 0.00 0.00 0.00 175.76 176.01 1lof s PHE 166 N -0.60 1.77 -0.38 0.00 5.36 0.45 -1.31 117.98 123.26 1lof s PHE 166 Ca 0.05 -0.69 -0.10 0.00 -0.96 0.00 0.00 56.93 55.24 1lof s PHE 166 Cb -0.07 -1.25 0.05 0.00 -0.34 0.00 0.00 43.02 41.40 1lof s PHE 166 CO 0.00 -0.32 0.20 1.21 -1.46 0.00 0.00 175.22 174.85 1lof s ASN 167 N 0.60 5.62 0.20 6.13 3.84 -0.42 -1.81 114.94 129.11 1lof s ASN 167 Ca -0.15 -1.19 -0.08 0.00 0.21 0.00 0.00 52.86 51.65 1lof s ASN 167 Cb -0.16 -1.98 0.13 0.00 -0.55 0.00 0.00 41.25 38.69 1lof s ASN 167 CO 0.05 -0.43 1.71 0.00 -2.79 0.00 0.00 177.10 175.65 1lof h ALA 168 N 8.39 0.95 -0.73 1.71 0.00 -1.88 0.67 119.26 128.37 1lof h ALA 168 Ca -0.24 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.47 1lof h ALA 168 Cb 1.09 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1lof h ALA 168 CO 0.68 0.67 0.42 0.00 0.00 0.00 0.00 179.25 181.02 1lof h ALA 169 N 1.10 0.99 -0.01 0.00 0.00 -1.94 -2.90 119.26 116.50 1lof h ALA 169 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1lof h ALA 169 Cb 0.40 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1lof h ALA 169 CO 0.01 0.11 -0.41 0.25 0.00 0.00 0.00 179.25 179.21 1lof n THR 170 N -4.74 0.00 -2.92 0.00 -2.24 -0.96 -4.96 114.28 98.45 1lof n THR 170 Ca 0.10 -0.30 -0.21 0.00 -2.27 0.00 0.00 64.05 61.37 1lof n THR 170 Cb 0.18 1.20 0.01 0.00 -2.10 0.00 0.00 70.33 69.62 1lof n THR 170 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1lof n ASN 171 N -0.17 -5.23 -4.73 3.42 5.03 0.23 -4.99 115.26 108.82 1lof n ASN 171 Ca 0.07 -0.20 -0.36 0.00 0.87 0.00 0.00 54.58 54.96 1lof n ASN 171 Cb 0.37 -4.29 -0.07 0.00 -1.02 0.00 0.00 39.78 34.78 1lof n ASN 171 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1lof s VAL 172 N -3.02 5.31 -0.26 2.41 1.01 -1.04 -4.89 120.40 119.92 1lof s VAL 172 Ca 0.24 0.52 -0.12 0.00 0.00 0.00 0.00 61.98 62.62 1lof s VAL 172 Cb -0.11 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1lof s VAL 172 CO 0.29 0.39 0.22 -0.22 0.00 0.00 0.00 175.10 175.79 1lof s LEU 173 N 0.45 4.06 -0.07 3.92 0.20 -1.26 -1.30 118.68 124.68 1lof s LEU 173 Ca 0.16 0.10 0.02 0.00 0.69 0.00 0.00 54.13 55.10 1lof s LEU 173 Cb -0.13 -2.18 -0.02 0.00 -0.43 0.00 0.00 46.19 43.42 1lof s LEU 173 CO 0.03 -0.04 -0.12 -0.89 -0.29 0.00 0.00 176.35 175.05 1lof s THR 174 N 1.57 3.24 -0.06 3.68 2.01 -0.42 -4.98 115.64 120.67 1lof s THR 174 Ca 0.09 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.48 1lof s THR 174 Cb -0.15 -2.30 0.00 0.00 0.01 0.00 0.00 72.50 70.06 1lof s THR 174 CO 0.09 0.58 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.75 1lof s VAL 175 N -0.53 1.40 -0.06 3.82 1.01 -1.26 -0.95 120.40 123.82 1lof s VAL 175 Ca 0.07 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1lof s VAL 175 Cb -0.12 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.06 1lof s VAL 175 CO 0.02 0.41 -0.06 -0.44 0.00 0.00 0.00 175.10 175.02 1lof s SER 176 N 0.35 1.41 -0.17 3.32 0.01 -0.57 -4.98 113.70 113.07 1lof s SER 176 Ca -0.11 -0.19 -0.01 0.00 1.31 0.00 0.00 55.95 56.95 1lof s SER 176 Cb -0.14 -0.60 -0.01 0.00 0.21 0.00 0.00 66.02 65.48 1lof s SER 176 CO 0.04 -0.06 -0.12 -0.22 0.41 0.00 0.00 173.24 173.29 1lof s LEU 177 N 1.09 2.64 -0.04 2.44 1.98 -1.26 -1.92 118.68 123.60 1lof s LEU 177 Ca -0.08 -0.42 0.02 0.00 -2.89 0.00 0.00 54.13 50.76 1lof s LEU 177 Cb -0.14 -1.62 0.02 0.00 0.66 0.00 0.00 46.19 45.10 1lof s LEU 177 CO -0.01 0.07 -0.06 0.28 -1.89 0.00 0.00 176.35 174.74 1lof s THR 178 N 0.91 0.64 -0.09 3.68 -1.32 -1.02 -4.98 115.64 113.46 1lof s THR 178 Ca -0.03 -0.21 -0.16 0.00 -1.21 0.00 0.00 61.69 60.07 1lof s THR 178 Cb -0.15 -0.63 -0.05 0.00 -1.51 0.00 0.00 72.50 70.16 1lof s THR 178 CO -0.01 0.24 0.43 -0.31 -2.21 0.00 0.00 174.62 172.76 1lof s TYR 179 N 0.69 3.56 -2.00 9.09 2.02 -1.26 -1.22 117.35 128.23 1lof s TYR 179 Ca -0.10 0.87 0.19 0.00 -0.37 0.00 0.00 57.07 57.66 1lof s TYR 179 Cb -0.13 -2.44 1.16 0.00 -0.40 0.00 0.00 41.96 40.14 1lof s TYR 179 CO 0.01 0.31 1.55 -2.30 -1.57 0.00 0.00 175.55 173.55