#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1thw s THR 2 N 0.00 4.35 -0.12 0.00 2.01 -1.26 -0.31 115.64 120.31 1thw s THR 2 Ca 0.00 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 61.82 1thw s THR 2 Cb 0.00 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.63 1thw s THR 2 CO 0.00 0.54 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.88 1thw s PHE 3 N -0.21 2.58 -0.25 4.92 0.40 -0.30 -1.80 117.98 123.33 1thw s PHE 3 Ca 0.06 -1.20 -0.10 0.00 -0.60 0.00 0.00 56.93 55.09 1thw s PHE 3 Cb -0.12 -1.75 -0.05 0.00 0.51 0.00 0.00 43.02 41.61 1thw s PHE 3 CO 0.02 -0.52 0.15 -2.00 0.70 0.00 0.00 175.22 173.57 1thw s GLU 4 N 0.62 3.96 -0.25 0.44 2.12 0.13 -1.01 118.70 124.71 1thw s GLU 4 Ca -0.12 -0.32 -0.07 0.00 0.36 0.00 0.00 54.97 54.82 1thw s GLU 4 Cb -0.17 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.67 1thw s GLU 4 CO 0.03 -0.05 0.06 0.42 -0.54 0.00 0.00 175.26 175.19 1thw s ILE 5 N 1.34 4.21 -0.13 -3.70 1.01 0.17 -0.01 121.20 124.09 1thw s ILE 5 Ca 0.07 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.47 1thw s ILE 5 Cb -0.15 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 1thw s ILE 5 CO 0.07 0.31 -0.16 -0.69 0.00 0.00 0.00 174.94 174.47 1thw s VAL 6 N 1.59 2.76 -0.51 2.92 1.01 0.44 -0.13 120.40 128.48 1thw s VAL 6 Ca 0.06 -0.76 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 1thw s VAL 6 Cb -0.15 -2.14 0.08 0.00 0.00 0.00 0.00 36.38 34.17 1thw s VAL 6 CO 0.03 0.53 0.53 0.21 0.00 0.00 0.00 175.10 176.40 1thw s ASN 7 N 0.40 6.18 0.00 3.32 2.47 -0.42 -0.88 114.94 126.02 1thw s ASN 7 Ca -0.12 -1.29 0.23 0.00 0.42 0.00 0.00 52.86 52.11 1thw s ASN 7 Cb -0.16 -2.24 0.63 0.00 -1.45 0.00 0.00 41.25 38.03 1thw s ASN 7 CO 0.06 -0.83 1.50 -1.14 -3.72 0.00 0.00 177.10 172.97 1thw n ARG 8 N 5.68 2.02 -1.49 0.43 0.63 -0.14 0.33 116.66 124.11 1thw n ARG 8 Ca -0.10 -1.51 -0.31 0.00 -0.92 0.00 0.00 57.85 55.01 1thw n ARG 8 Cb 0.43 -1.45 0.07 0.00 0.45 0.00 0.00 32.46 31.96 1thw n ARG 8 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1thw h SER 10 N -0.89 0.00 -2.15 0.00 4.64 -1.95 -3.40 113.55 109.80 1thw h SER 10 Ca -0.44 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.34 1thw h SER 10 Cb 1.23 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.24 1thw h SER 10 CO 0.56 0.00 -0.59 -0.72 -0.87 0.00 0.00 176.83 175.21 1thw s TYR 11 N -3.20 2.82 0.36 4.77 -0.85 -1.26 -4.74 117.35 115.24 1thw s TYR 11 Ca 0.08 -0.21 -0.27 0.00 -0.52 0.00 0.00 57.07 56.15 1thw s TYR 11 Cb 0.11 -1.32 -0.09 0.00 0.38 0.00 0.00 41.96 41.03 1thw s TYR 11 CO 0.53 0.55 1.14 0.99 -1.52 0.00 0.00 175.55 177.23 1thw s THR 12 N -2.28 3.33 0.15 -3.49 2.01 -1.26 -4.26 115.64 109.84 1thw s THR 12 Ca 0.33 1.18 0.06 0.00 0.31 0.00 0.00 61.69 63.56 1thw s THR 12 Cb -0.06 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1thw s THR 12 CO 0.22 0.16 -0.12 0.68 -0.69 0.00 0.00 174.62 174.87 1thw s VAL 13 N -1.36 1.34 -0.38 3.82 -7.23 -0.62 -4.66 120.40 111.31 1thw s VAL 13 Ca 0.53 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.71 1thw s VAL 13 Cb -0.30 -1.77 0.10 0.00 0.56 0.00 0.00 36.38 34.97 1thw s VAL 13 CO 0.38 -0.60 0.15 0.26 -0.31 0.00 0.00 175.10 174.98 1thw s TRP 14 N -2.83 3.58 0.60 2.82 0.51 -0.43 0.36 118.94 123.56 1thw s TRP 14 Ca 0.15 -2.47 -0.18 0.00 -2.12 0.00 0.00 56.10 51.48 1thw s TRP 14 Cb -0.01 -3.02 -0.03 0.00 -0.81 0.00 0.00 33.47 29.60 1thw s TRP 14 CO 0.03 -0.95 1.17 0.00 -0.51 0.00 0.00 176.95 176.70 1thw s ALA 15 N 1.11 2.54 0.01 0.98 0.00 -0.39 -0.84 121.76 125.16 1thw s ALA 15 Ca 0.07 0.89 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 1thw s ALA 15 Cb -0.22 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 1thw s ALA 15 CO -0.05 -1.14 0.03 0.00 0.00 0.00 0.00 175.76 174.61 1thw s ALA 16 N -1.77 -0.04 -0.09 0.00 0.00 -0.29 -1.68 121.76 117.88 1thw s ALA 16 Ca 0.75 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.38 1thw s ALA 16 Cb -0.27 0.07 0.05 0.00 0.00 0.00 0.00 23.12 22.97 1thw s ALA 16 CO 0.33 -0.13 0.20 0.00 0.00 0.00 0.00 175.76 176.16 1thw s ALA 17 N -1.00 -0.34 0.18 0.00 0.00 -0.36 -2.22 121.76 118.02 1thw s ALA 17 Ca -0.11 0.75 -0.15 0.00 0.00 0.00 0.00 51.96 52.45 1thw s ALA 17 Cb -0.07 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.31 1thw s ALA 17 CO -0.00 -0.44 0.45 0.45 0.00 0.00 0.00 175.76 176.22 1thw s SER 18 N 1.91 -0.16 -0.05 0.00 0.15 -0.86 -1.69 113.70 112.99 1thw s SER 18 Ca -0.02 -0.60 0.10 0.00 0.70 0.00 0.00 55.95 56.13 1thw s SER 18 Cb -0.12 0.53 0.28 0.00 -1.71 0.00 0.00 66.02 65.00 1thw s SER 18 CO -0.07 -1.00 1.22 2.29 1.20 0.00 0.00 173.24 176.88 1thw n LYS 19 N -0.30 2.74 0.00 5.44 2.85 -0.44 -0.76 118.16 127.69 1thw n LYS 19 Ca -0.09 -2.15 0.00 0.00 -1.05 0.00 0.00 58.31 55.02 1thw n LYS 19 Cb 0.63 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.65 1thw n LYS 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1thw n GLY 20 N -0.16 2.88 0.00 2.58 0.00 -1.26 -4.58 105.19 104.66 1thw n GLY 20 Ca 0.11 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1thw n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1thw n ASP 21 N 1.10 1.48 -3.55 1.61 5.68 -1.24 -4.40 116.55 117.22 1thw n ASP 21 Ca 0.00 -1.53 -0.12 0.00 -0.50 0.00 0.00 54.79 52.64 1thw n ASP 21 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 1thw n ASP 21 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1thw s ALA 22 N -0.53 -1.88 0.59 2.12 0.00 -0.86 -4.98 121.76 116.22 1thw s ALA 22 Ca 0.00 1.44 -0.17 0.00 0.00 0.00 0.00 51.96 53.23 1thw s ALA 22 Cb 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1thw s ALA 22 CO 0.00 -0.38 1.11 0.00 0.00 0.00 0.00 175.76 176.50 1thw s ALA 23 N -1.43 2.61 -0.23 0.00 0.00 -1.25 -1.33 121.76 120.12 1thw s ALA 23 Ca -0.03 0.67 -0.09 0.00 0.00 0.00 0.00 51.96 52.52 1thw s ALA 23 Cb -0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1thw s ALA 23 CO 0.02 -0.98 0.12 -0.51 0.00 0.00 0.00 175.76 174.41 1thw s LEU 24 N -4.29 3.87 0.00 0.00 1.43 -0.68 -4.73 118.68 114.27 1thw s LEU 24 Ca 0.70 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1thw s LEU 24 Cb -0.22 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 43.98 1thw s LEU 24 CO 0.34 0.06 0.00 -0.67 0.23 0.00 0.00 176.35 176.30 1thw n ASP 25 N 4.33 0.00 0.09 2.29 -0.08 -1.26 -1.10 116.55 120.82 1thw n ASP 25 Ca -0.16 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.24 1thw n ASP 25 Cb 0.52 0.00 0.45 0.00 2.34 0.00 0.00 41.12 44.43 1thw n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1thw n ALA 26 N 9.84 1.89 0.00 -1.67 0.00 -1.26 -4.91 120.51 124.39 1thw n ALA 26 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1thw n ALA 26 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1thw n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1thw n GLY 27 N 0.49 2.99 3.58 0.00 0.00 -0.26 -4.47 105.19 107.52 1thw n GLY 27 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 1thw n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1thw s GLY 28 N -1.38 -0.27 -0.16 -0.02 0.00 -1.26 -1.22 107.32 103.01 1thw s GLY 28 Ca 0.00 1.73 -0.30 0.00 0.00 0.00 0.00 44.72 46.15 1thw s GLY 28 CO 0.00 0.66 0.96 -1.60 0.00 0.00 0.00 173.10 173.12 1thw s ARG 29 N -2.14 0.64 0.14 2.90 3.52 -0.68 -4.66 118.95 118.67 1thw s ARG 29 Ca 0.07 0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.59 1thw s ARG 29 Cb -0.01 0.30 -0.07 0.00 -1.56 0.00 0.00 34.95 33.61 1thw s ARG 29 CO -0.05 -0.19 1.13 -1.14 -0.81 0.00 0.00 175.30 174.25 1thw s GLN 30 N -0.94 4.54 -0.25 5.12 0.74 -1.26 -1.26 119.66 126.34 1thw s GLN 30 Ca -0.02 1.74 0.01 0.00 0.05 0.00 0.00 55.36 57.13 1thw s GLN 30 Cb -0.01 -3.30 0.07 0.00 1.10 0.00 0.00 33.01 30.87 1thw s GLN 30 CO 0.02 -0.04 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.18 1thw s LEU 31 N 0.07 2.74 0.85 3.68 1.43 0.16 -4.91 118.68 122.69 1thw s LEU 31 Ca 0.52 -1.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.21 1thw s LEU 31 Cb -0.29 -1.20 0.10 0.00 0.03 0.00 0.00 46.19 44.83 1thw s LEU 31 CO 0.33 -0.26 1.09 0.20 0.23 0.00 0.00 176.35 177.94 1thw s ASN 32 N 1.37 3.86 -0.14 2.29 0.02 -1.26 -1.59 114.94 119.48 1thw s ASN 32 Ca -0.03 1.62 -0.35 0.00 -1.02 0.00 0.00 52.86 53.07 1thw s ASN 32 Cb -0.19 -2.30 -0.12 0.00 0.02 0.00 0.00 41.25 38.66 1thw s ASN 32 CO -0.08 -2.41 1.89 -0.24 0.02 0.00 0.00 177.10 176.28 1thw n SER 33 N -3.75 3.20 0.00 -1.22 2.88 -1.26 -1.33 113.62 112.14 1thw n SER 33 Ca 0.08 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1thw n SER 33 Cb 0.54 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 1thw n SER 33 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1thw n GLY 34 N 4.54 2.98 3.78 0.46 0.00 0.15 -5.04 105.19 112.05 1thw n GLY 34 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 1thw n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1thw s GLU 35 N -0.86 2.72 0.03 1.61 2.02 -0.44 -4.74 118.70 119.04 1thw s GLU 35 Ca 0.00 1.29 0.06 0.00 0.02 0.00 0.00 54.97 56.34 1thw s GLU 35 Cb 0.00 -1.95 -0.02 0.00 0.10 0.00 0.00 34.13 32.26 1thw s GLU 35 CO 0.00 -1.30 -0.17 -1.12 0.02 0.00 0.00 175.26 172.69 1thw s SER 36 N -2.88 2.02 -0.07 -0.19 0.01 -1.26 -1.29 113.70 110.05 1thw s SER 36 Ca 0.65 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1thw s SER 36 Cb -0.19 -0.17 0.02 0.00 0.21 0.00 0.00 66.02 65.90 1thw s SER 36 CO 0.45 0.12 -0.05 0.86 0.41 0.00 0.00 173.24 175.03 1thw s TRP 37 N -0.72 0.96 -0.23 2.43 -0.00 0.81 -4.96 118.94 117.23 1thw s TRP 37 Ca 0.05 -0.34 -0.09 0.00 -0.00 0.00 0.00 56.10 55.72 1thw s TRP 37 Cb -0.08 -0.85 -0.04 0.00 -0.00 0.00 0.00 33.47 32.50 1thw s TRP 37 CO 0.01 -0.29 0.12 0.99 -0.00 0.00 0.00 176.95 177.78 1thw s THR 38 N 1.26 5.00 0.26 5.86 2.01 -1.26 -0.66 115.64 128.11 1thw s THR 38 Ca -0.05 0.05 0.11 0.00 0.31 0.00 0.00 61.69 62.11 1thw s THR 38 Cb -0.14 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 1thw s THR 38 CO -0.02 0.37 -0.20 0.27 -0.69 0.00 0.00 174.62 174.35 1thw s ILE 39 N 1.03 2.37 -0.15 1.82 -4.36 -0.18 -4.98 121.20 116.75 1thw s ILE 39 Ca 0.06 -2.35 -0.01 0.00 -0.26 0.00 0.00 60.65 58.09 1thw s ILE 39 Cb -0.14 -2.25 -0.01 0.00 1.25 0.00 0.00 42.46 41.31 1thw s ILE 39 CO 0.04 -0.40 -0.11 0.21 0.24 0.00 0.00 174.94 174.91 1thw s ASN 40 N -3.41 4.07 -0.15 4.36 2.47 -1.26 -1.15 114.94 119.86 1thw s ASN 40 Ca 0.28 -0.34 -0.00 0.00 0.42 0.00 0.00 52.86 53.22 1thw s ASN 40 Cb -0.05 -1.64 -0.01 0.00 -1.45 0.00 0.00 41.25 38.11 1thw s ASN 40 CO 0.13 0.12 -0.13 -0.69 -3.72 0.00 0.00 177.10 172.81 1thw s VAL 41 N 0.60 2.85 0.32 -5.21 1.01 0.58 -4.19 120.40 116.36 1thw s VAL 41 Ca -0.07 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 1thw s VAL 41 Cb -0.15 -2.21 -0.11 0.00 0.00 0.00 0.00 36.38 33.90 1thw s VAL 41 CO 0.03 0.51 1.56 1.21 0.00 0.00 0.00 175.10 178.41 1thw n GLU 42 N 3.99 2.70 -1.74 2.72 2.13 -1.26 -0.35 120.64 128.83 1thw n GLU 42 Ca -0.19 0.96 -0.38 0.00 0.66 0.00 0.00 57.16 58.21 1thw n GLU 42 Cb 0.52 -2.72 0.05 0.00 0.27 0.00 0.00 31.44 29.55 1thw n GLU 42 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1thw n PRO 43 N 1.61 1.61 -0.15 5.31 -0.02 -1.26 -2.11 135.00 139.99 1thw n PRO 43 Ca 0.06 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1thw n PRO 43 Cb 0.37 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1thw n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1thw n GLY 44 N 0.79 1.20 3.71 -1.23 0.00 -1.17 -5.00 105.19 103.48 1thw n GLY 44 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1thw n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1thw s THR 45 N -2.62 2.24 -0.02 2.61 2.01 -0.90 -4.66 115.64 114.30 1thw s THR 45 Ca 0.00 0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.13 1thw s THR 45 Cb 0.00 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.45 1thw s THR 45 CO 0.00 0.00 -0.25 -0.54 -0.69 0.00 0.00 174.62 173.14 1thw s LYS 46 N 1.73 2.17 -0.72 4.92 1.02 -1.26 0.14 119.74 127.74 1thw s LYS 46 Ca 0.77 -0.91 -0.00 0.00 0.02 0.00 0.00 55.97 55.85 1thw s LYS 46 Cb -0.48 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 1thw s LYS 46 CO 0.33 0.56 0.01 0.41 -0.92 0.00 0.00 175.35 175.74 1thw n GLY 47 N 2.45 0.03 3.88 -3.33 0.00 -1.15 -4.98 105.19 102.09 1thw n GLY 47 Ca -0.16 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 1thw n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1thw s GLY 48 N -2.63 1.83 0.02 -0.02 0.00 -0.46 -4.58 107.32 101.48 1thw s GLY 48 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 44.72 44.45 1thw s GLY 48 CO 0.01 -0.05 0.03 0.54 0.00 0.00 0.00 173.10 173.62 1thw s LYS 49 N -4.16 0.44 0.02 2.90 1.02 0.06 -1.46 119.74 118.56 1thw s LYS 49 Ca 0.51 -0.69 0.05 0.00 0.02 0.00 0.00 55.97 55.86 1thw s LYS 49 Cb -0.10 0.16 -0.02 0.00 -0.52 0.00 0.00 37.83 37.35 1thw s LYS 49 CO 0.36 -0.09 -0.14 0.42 -0.92 0.00 0.00 175.35 174.98 1thw s ILE 50 N -2.02 1.13 0.28 2.17 1.01 -0.39 -2.03 121.20 121.34 1thw s ILE 50 Ca -0.10 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 59.58 1thw s ILE 50 Cb -0.05 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.44 1thw s ILE 50 CO -0.02 0.15 0.55 -1.66 0.00 0.00 0.00 174.94 173.96 1thw s TRP 51 N -0.61 0.31 0.16 3.97 -2.14 -0.94 -1.31 118.94 118.37 1thw s TRP 51 Ca 0.04 -0.70 0.07 0.00 2.66 0.00 0.00 56.10 58.16 1thw s TRP 51 Cb -0.07 0.32 -0.04 0.00 -3.10 0.00 0.00 33.47 30.58 1thw s TRP 51 CO 0.00 -1.11 0.03 0.00 -2.66 0.00 0.00 176.95 173.21 1thw s ALA 52 N -3.74 3.28 0.03 2.67 0.00 -1.26 -1.14 121.76 121.60 1thw s ALA 52 Ca 0.20 -1.30 0.09 0.00 0.00 0.00 0.00 51.96 50.95 1thw s ALA 52 Cb -0.02 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 1thw s ALA 52 CO 0.10 0.52 -0.25 1.03 0.00 0.00 0.00 175.76 177.15 1thw s ARG 53 N -2.88 1.82 0.20 0.00 0.52 -0.02 -4.62 118.95 113.98 1thw s ARG 53 Ca 0.28 -1.03 0.11 0.00 -0.52 0.00 0.00 55.73 54.57 1thw s ARG 53 Cb -0.10 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 1thw s ARG 53 CO 0.19 0.51 -0.18 0.95 0.02 0.00 0.00 175.30 176.79 1thw s THR 54 N -0.74 2.67 -0.91 0.02 -4.23 -1.18 -1.31 115.64 109.97 1thw s THR 54 Ca 0.11 -1.96 -0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1thw s THR 54 Cb -0.10 -2.32 -0.00 0.00 1.34 0.00 0.00 72.50 71.42 1thw s THR 54 CO 0.01 -0.16 0.69 0.47 -0.54 0.00 0.00 174.62 175.09 1thw n ASP 55 N 0.04 -5.86 -4.83 3.99 8.00 -1.26 -1.69 116.55 114.94 1thw n ASP 55 Ca -0.11 -0.73 -0.28 0.00 0.71 0.00 0.00 54.79 54.38 1thw n ASP 55 Cb 0.56 -3.27 -0.05 0.00 -0.02 0.00 0.00 41.12 38.35 1thw n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1thw s TYR 57 N -1.60 1.07 0.01 0.00 1.51 -0.24 -4.99 117.35 113.12 1thw s TYR 57 Ca 0.31 -0.42 0.05 0.00 -1.01 0.00 0.00 57.07 56.00 1thw s TYR 57 Cb -0.11 -0.95 -0.02 0.00 -0.11 0.00 0.00 41.96 40.77 1thw s TYR 57 CO 0.24 -0.36 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.11 1thw s PHE 58 N 1.48 1.35 0.00 2.71 0.08 -1.26 -1.88 117.98 120.46 1thw s PHE 58 Ca -0.01 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 56.74 1thw s PHE 58 Cb -0.13 -0.84 0.00 0.00 -0.57 0.00 0.00 43.02 41.48 1thw s PHE 58 CO -0.04 0.01 0.00 -0.40 -0.10 0.00 0.00 175.22 174.69 1thw n ASP 59 N 2.30 0.00 0.24 1.36 5.68 -0.65 -4.88 116.55 120.60 1thw n ASP 59 Ca -0.16 -1.00 0.10 0.00 -0.50 0.00 0.00 54.79 53.23 1thw n ASP 59 Cb 0.55 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.13 1thw n ASP 59 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1thw h ASP 60 N 0.00 0.00 -0.39 -1.12 3.32 -2.02 -0.94 116.42 115.28 1thw h ASP 60 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1thw h ASP 60 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1thw h ASP 60 CO 0.00 0.18 0.00 -1.54 -1.72 0.00 0.00 179.24 176.16 1thw n SER 61 N -3.71 2.20 -1.09 6.45 3.41 -1.26 -4.93 113.62 114.69 1thw n SER 61 Ca -0.02 -1.97 -0.08 0.00 -0.26 0.00 0.00 58.87 56.55 1thw n SER 61 Cb 0.30 -0.26 0.01 0.00 -0.26 0.00 0.00 64.21 64.00 1thw n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1thw n GLY 62 N 1.17 0.14 3.21 5.00 0.00 -0.36 -4.95 105.19 109.41 1thw n GLY 62 Ca 0.14 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 1thw n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1thw s SER 63 N -2.78 2.93 0.00 1.61 0.15 -1.26 -0.42 113.70 113.94 1thw s SER 63 Ca 0.06 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1thw s SER 63 Cb -0.03 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.10 1thw s SER 63 CO 0.07 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1thw n GLY 64 N 3.39 1.11 3.21 9.45 0.00 0.37 -1.64 105.19 121.09 1thw n GLY 64 Ca -0.19 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1thw n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1thw s ILE 65 N 0.34 0.10 0.02 -0.61 1.10 -0.79 -4.18 121.20 117.18 1thw s ILE 65 Ca 0.00 -0.82 0.01 0.00 -0.51 0.00 0.00 60.65 59.33 1thw s ILE 65 Cb 0.00 -0.94 -0.02 0.00 0.15 0.00 0.00 42.46 41.66 1thw s ILE 65 CO 0.00 -0.45 -0.04 0.00 -2.11 0.00 0.00 174.94 172.33 1thw h LYS 67 N 5.09 0.00 -5.03 0.00 1.57 -1.20 -3.40 116.57 113.61 1thw h LYS 67 Ca -0.31 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.06 1thw h LYS 67 Cb 1.20 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.26 1thw h LYS 67 CO 0.44 0.61 -0.78 0.95 -0.57 0.00 0.00 179.45 180.10 1thw s THR 68 N -3.34 0.91 -1.45 -0.16 -4.23 -1.21 -4.73 115.64 101.43 1thw s THR 68 Ca 0.00 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 1thw s THR 68 Cb 0.11 -0.82 0.00 0.00 1.34 0.00 0.00 72.50 73.13 1thw s THR 68 CO 0.75 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.45 1thw n GLY 69 N 2.14 0.94 3.75 3.99 0.00 -0.31 -3.12 105.19 112.60 1thw n GLY 69 Ca -0.17 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 1thw n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1thw s ASP 70 N -2.68 6.56 -0.81 1.61 2.15 -1.26 -3.98 116.67 118.26 1thw s ASP 70 Ca 0.00 2.79 0.02 0.00 0.43 0.00 0.00 52.55 55.79 1thw s ASP 70 Cb 0.00 -2.64 0.25 0.00 -0.30 0.00 0.00 42.92 40.24 1thw s ASP 70 CO 0.00 -0.75 0.92 0.00 -0.17 0.00 0.00 175.17 175.17 1thw n GLY 72 N 1.36 0.49 2.23 0.00 0.00 -1.26 -3.18 105.19 104.83 1thw n GLY 72 Ca 0.26 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1thw n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1thw n GLY 73 N -1.20 0.42 3.68 -0.02 0.00 -1.26 -4.94 105.19 101.87 1thw n GLY 73 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1thw n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1thw s LEU 74 N 0.00 3.50 0.08 0.99 1.43 -1.19 0.14 118.68 123.62 1thw s LEU 74 Ca 0.00 -0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 52.88 1thw s LEU 74 Cb 0.00 -2.04 -0.10 0.00 0.03 0.00 0.00 46.19 44.09 1thw s LEU 74 CO 0.00 0.27 1.46 0.25 0.23 0.00 0.00 176.35 178.56 1thw h LEU 75 N 4.22 0.47 -8.15 1.79 5.85 -1.09 -3.39 115.31 115.00 1thw h LEU 75 Ca -0.49 -0.38 -0.69 0.00 0.84 0.00 0.00 57.88 57.16 1thw h LEU 75 Cb 1.17 -0.13 -0.19 0.00 0.37 0.00 0.00 40.66 41.88 1thw h LEU 75 CO 0.58 0.74 0.22 -0.13 -0.34 0.00 0.00 178.44 179.50 1thw s ARG 76 N -4.72 3.10 0.27 1.25 0.52 -1.26 -3.98 118.95 114.13 1thw s ARG 76 Ca -0.14 -1.32 -0.29 0.00 -0.52 0.00 0.00 55.73 53.46 1thw s ARG 76 Cb 0.07 -4.30 -0.10 0.00 0.52 0.00 0.00 34.95 31.14 1thw s ARG 76 CO 0.76 -1.59 1.30 0.00 0.02 0.00 0.00 175.30 175.79 1thw n LYS 78 N 1.63 3.19 -4.59 0.00 5.02 -1.26 -3.92 118.16 118.23 1thw n LYS 78 Ca 0.03 -0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1thw n LYS 78 Cb 0.42 -0.93 -0.07 0.00 -0.02 0.00 0.00 35.03 34.43 1thw n LYS 78 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1thw s ARG 79 N -1.91 2.06 0.68 1.97 0.52 -1.26 -2.03 118.95 118.98 1thw s ARG 79 Ca 0.01 -2.29 -0.11 0.00 -0.52 0.00 0.00 55.73 52.82 1thw s ARG 79 Cb 0.05 -0.81 0.00 0.00 0.52 0.00 0.00 34.95 34.71 1thw s ARG 79 CO 0.26 -0.50 1.06 -0.06 0.02 0.00 0.00 175.30 176.08 1thw s PHE 80 N -3.10 3.15 0.38 -0.53 0.08 -1.26 -4.79 117.98 111.91 1thw s PHE 80 Ca 0.16 1.41 -0.01 0.00 0.12 0.00 0.00 56.93 58.61 1thw s PHE 80 Cb 0.01 -2.87 -0.03 0.00 -0.57 0.00 0.00 43.02 39.55 1thw s PHE 80 CO 0.11 -1.18 0.62 0.20 -0.10 0.00 0.00 175.22 174.87 1thw s GLY 81 N -3.78 1.41 0.17 4.36 0.00 -1.26 -4.57 107.32 103.65 1thw s GLY 81 Ca 0.58 -0.77 -0.30 0.00 0.00 0.00 0.00 44.72 44.22 1thw s GLY 81 CO 0.54 -0.68 1.19 -1.60 0.00 0.00 0.00 173.10 172.55 1thw s ARG 82 N -4.41 4.50 0.83 2.90 3.52 0.29 -4.84 118.95 121.74 1thw s ARG 82 Ca 0.42 1.85 -0.12 0.00 -0.13 0.00 0.00 55.73 57.75 1thw s ARG 82 Cb -0.10 -3.26 0.09 0.00 -1.56 0.00 0.00 34.95 30.13 1thw s ARG 82 CO 0.38 -0.09 1.15 -2.14 -0.81 0.00 0.00 175.30 173.79 1thw s PRO 83 N -0.10 1.62 0.19 5.12 0.02 -1.26 -1.16 135.00 139.43 1thw s PRO 83 Ca 0.53 1.53 -0.22 0.00 0.02 0.00 0.00 61.00 62.86 1thw s PRO 83 Cb -0.32 -1.80 -0.08 0.00 0.02 0.00 0.00 34.50 32.32 1thw s PRO 83 CO 0.36 -2.18 0.73 -1.25 -0.33 0.00 0.00 177.00 174.33 1thw s PRO 84 N -4.49 4.38 -0.18 5.54 0.04 -1.26 -4.62 135.00 134.41 1thw s PRO 84 Ca 0.68 0.98 -0.06 0.00 0.04 0.00 0.00 61.00 62.64 1thw s PRO 84 Cb -0.23 -3.06 0.09 0.00 0.04 0.00 0.00 34.50 31.34 1thw s PRO 84 CO 0.54 0.48 0.35 0.95 0.04 0.00 0.00 177.00 179.37 1thw s THR 85 N -1.34 -0.56 0.26 1.26 -4.23 -0.71 -3.90 115.64 106.42 1thw s THR 85 Ca 0.39 0.16 -0.30 0.00 -1.18 0.00 0.00 61.69 60.77 1thw s THR 85 Cb -0.19 -0.61 -0.10 0.00 1.34 0.00 0.00 72.50 72.94 1thw s THR 85 CO 0.23 0.05 1.34 -0.89 -0.54 0.00 0.00 174.62 174.81 1thw s THR 86 N 2.53 2.90 -0.11 3.99 2.01 -1.22 -4.36 115.64 121.38 1thw s THR 86 Ca 0.02 0.80 0.03 0.00 0.31 0.00 0.00 61.69 62.85 1thw s THR 86 Cb -0.13 -3.51 -0.00 0.00 0.01 0.00 0.00 72.50 68.87 1thw s THR 86 CO -0.12 0.15 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.99 1thw s LEU 87 N -0.80 2.27 -0.25 4.42 1.43 -0.79 -4.53 118.68 120.42 1thw s LEU 87 Ca 0.54 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 53.02 1thw s LEU 87 Cb -0.39 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1thw s LEU 87 CO 0.45 0.17 0.29 0.00 0.23 0.00 0.00 176.35 177.48 1thw s ALA 88 N 0.31 3.57 0.08 4.21 0.00 -0.43 -0.98 121.76 128.52 1thw s ALA 88 Ca -0.16 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.05 1thw s ALA 88 Cb -0.17 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 1thw s ALA 88 CO 0.08 -0.45 -0.20 -1.21 0.00 0.00 0.00 175.76 173.98 1thw s GLU 89 N 1.60 1.18 -0.01 0.00 2.02 0.79 -1.27 118.70 123.02 1thw s GLU 89 Ca 0.12 -1.06 -0.30 0.00 0.02 0.00 0.00 54.97 53.76 1thw s GLU 89 Cb -0.15 -1.38 0.07 0.00 0.10 0.00 0.00 34.13 32.77 1thw s GLU 89 CO 0.08 0.33 0.67 -0.59 0.02 0.00 0.00 175.26 175.77 1thw s PHE 90 N -1.03 -0.64 -0.08 1.61 -0.71 -0.54 -1.44 117.98 115.15 1thw s PHE 90 Ca 0.06 0.98 0.01 0.00 -1.04 0.00 0.00 56.93 56.94 1thw s PHE 90 Cb -0.09 0.44 0.02 0.00 -1.21 0.00 0.00 43.02 42.17 1thw s PHE 90 CO 0.03 -0.65 -0.08 -1.12 -1.34 0.00 0.00 175.22 172.06 1thw s SER 91 N -1.47 1.77 0.06 1.98 0.01 -0.79 -1.36 113.70 113.90 1thw s SER 91 Ca -0.09 -0.25 0.03 0.00 1.31 0.00 0.00 55.95 56.95 1thw s SER 91 Cb -0.00 -0.73 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 1thw s SER 91 CO 0.06 -0.06 0.04 -0.76 0.41 0.00 0.00 173.24 172.93 1thw s LEU 92 N 1.22 3.67 -1.23 2.44 1.43 0.37 -1.56 118.68 125.02 1thw s LEU 92 Ca -0.05 -0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1thw s LEU 92 Cb -0.14 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 1thw s LEU 92 CO -0.02 0.21 0.82 0.59 0.23 0.00 0.00 176.35 178.17 1thw n ASN 93 N 0.76 -2.44 -4.25 2.29 3.02 -1.06 -3.06 115.26 110.51 1thw n ASN 93 Ca -0.11 -0.77 -0.42 0.00 -0.03 0.00 0.00 54.58 53.26 1thw n ASN 93 Cb 0.52 -4.46 -0.08 0.00 -0.61 0.00 0.00 39.78 35.15 1thw n ASN 93 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1thw s GLN 94 N -5.60 2.64 -1.47 3.52 -1.52 0.89 -4.46 119.66 113.66 1thw s GLN 94 Ca 0.10 -1.67 -0.10 0.00 -1.95 0.00 0.00 55.36 51.73 1thw s GLN 94 Cb -0.02 -3.99 0.06 0.00 -0.22 0.00 0.00 33.01 28.84 1thw s GLN 94 CO 0.78 -1.17 0.93 0.66 -0.25 0.00 0.00 175.29 176.25 1thw n TYR 95 N 5.00 -2.25 -0.04 0.91 4.01 -1.26 -1.65 117.16 121.88 1thw n TYR 95 Ca -0.10 0.90 0.00 0.00 -0.16 0.00 0.00 57.90 58.54 1thw n TYR 95 Cb 0.41 -4.14 0.00 0.00 -0.31 0.00 0.00 39.34 35.30 1thw n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1thw n GLY 96 N -1.69 0.87 3.31 2.72 0.00 -1.26 -5.05 105.19 104.09 1thw n GLY 96 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 1thw n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1thw s LYS 97 N -0.70 1.28 0.05 1.61 3.01 -0.66 -2.17 119.74 122.17 1thw s LYS 97 Ca 0.00 -1.63 0.04 0.00 -1.01 0.00 0.00 55.97 53.38 1thw s LYS 97 Cb 0.00 -0.63 -0.04 0.00 -1.01 0.00 0.00 37.83 36.15 1thw s LYS 97 CO 0.00 -0.05 -0.05 -0.51 0.51 0.00 0.00 175.35 175.25 1thw s ASP 98 N -3.28 4.75 -0.08 2.83 1.11 0.19 -0.07 116.67 122.11 1thw s ASP 98 Ca 0.26 -0.19 0.03 0.00 0.18 0.00 0.00 52.55 52.82 1thw s ASP 98 Cb 0.05 -1.09 0.01 0.00 1.07 0.00 0.00 42.92 42.96 1thw s ASP 98 CO 0.07 0.23 -0.16 -0.31 1.18 0.00 0.00 175.17 176.18 1thw s TYR 99 N -1.15 1.85 0.13 4.23 2.02 -0.60 -1.18 117.35 122.64 1thw s TYR 99 Ca 0.21 -0.75 0.06 0.00 -0.37 0.00 0.00 57.07 56.22 1thw s TYR 99 Cb -0.11 -1.31 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 1thw s TYR 99 CO 0.12 -0.36 -0.15 0.96 -1.57 0.00 0.00 175.55 174.56 1thw s ILE 100 N 0.66 1.40 0.16 2.71 -4.36 -0.24 -1.88 121.20 119.64 1thw s ILE 100 Ca -0.14 -1.73 -0.24 0.00 -0.26 0.00 0.00 60.65 58.27 1thw s ILE 100 Cb -0.16 -1.57 0.06 0.00 1.25 0.00 0.00 42.46 42.04 1thw s ILE 100 CO 0.04 -0.39 0.84 1.51 0.24 0.00 0.00 174.94 177.17 1thw s ASP 101 N -2.46 -0.28 -0.03 4.36 1.47 -0.52 -0.58 116.67 118.63 1thw s ASP 101 Ca 0.10 -0.34 0.06 0.00 1.18 0.00 0.00 52.55 53.55 1thw s ASP 101 Cb -0.05 0.55 -0.02 0.00 -0.34 0.00 0.00 42.92 43.05 1thw s ASP 101 CO 0.03 -0.98 -0.20 -0.63 0.68 0.00 0.00 175.17 174.07 1thw s ILE 102 N -3.49 2.55 -0.02 2.11 1.01 -1.26 -0.15 121.20 121.96 1thw s ILE 102 Ca 0.09 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.83 1thw s ILE 102 Cb -0.02 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 1thw s ILE 102 CO -0.00 0.56 -0.14 -0.55 0.00 0.00 0.00 174.94 174.81 1thw s SER 103 N -0.74 1.66 -0.04 3.58 0.15 -0.15 -1.90 113.70 116.26 1thw s SER 103 Ca 0.11 -0.26 0.15 0.00 0.70 0.00 0.00 55.95 56.65 1thw s SER 103 Cb -0.10 -0.25 0.46 0.00 -1.71 0.00 0.00 66.02 64.41 1thw s SER 103 CO 0.00 0.16 1.38 0.59 1.20 0.00 0.00 173.24 176.57 1thw n ASN 104 N 2.86 3.51 0.24 5.45 5.03 -0.03 -1.88 115.26 130.43 1thw n ASN 104 Ca -0.15 -2.22 0.10 0.00 0.87 0.00 0.00 54.58 53.18 1thw n ASN 104 Cb 0.55 -0.37 0.69 0.00 -1.02 0.00 0.00 39.78 39.63 1thw n ASN 104 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1thw h ILE 105 N 2.66 0.89 -0.37 2.41 2.04 -1.82 -0.38 117.51 122.93 1thw h ILE 105 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 1thw h ILE 105 Cb 0.99 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 1thw h ILE 105 CO 0.07 0.00 0.03 0.29 0.00 0.00 0.00 178.15 178.54 1thw n LYS 106 N -4.40 2.62 0.00 2.37 4.76 -1.26 -4.73 118.16 117.53 1thw n LYS 106 Ca -0.02 -2.99 0.00 0.00 -2.87 0.00 0.00 58.31 52.43 1thw n LYS 106 Cb 0.14 -1.89 0.00 0.00 -1.84 0.00 0.00 35.03 31.44 1thw n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1thw n GLY 107 N -0.70 -1.91 2.94 0.72 0.00 -0.15 -1.74 105.19 104.34 1thw n GLY 107 Ca 0.29 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 1thw n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1thw s PHE 108 N 0.00 -0.10 0.00 1.61 2.19 -0.32 -3.45 117.98 117.92 1thw s PHE 108 Ca 0.00 0.26 0.00 0.00 0.33 0.00 0.00 56.93 57.52 1thw s PHE 108 Cb 0.00 -0.00 0.00 0.00 -1.31 0.00 0.00 43.02 41.71 1thw s PHE 108 CO 0.00 -0.07 0.00 0.27 1.83 0.00 0.00 175.22 177.25 1thw n ASN 109 N 3.28 2.10 -4.08 6.13 2.04 -1.26 -0.90 115.26 122.57 1thw n ASN 109 Ca -0.15 0.00 -0.18 0.00 -0.44 0.00 0.00 54.58 53.81 1thw n ASN 109 Cb 0.58 0.00 -0.13 0.00 -2.53 0.00 0.00 39.78 37.69 1thw n ASN 109 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1thw s VAL 110 N -1.77 0.81 0.62 3.53 1.01 -1.26 -4.77 120.40 118.56 1thw s VAL 110 Ca 0.00 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 1thw s VAL 110 Cb 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1thw s VAL 110 CO 0.00 -0.02 1.12 -2.16 0.00 0.00 0.00 175.10 174.03 1thw s PRO 111 N -0.91 2.99 -0.11 2.72 0.04 -1.26 -4.68 135.00 133.80 1thw s PRO 111 Ca -0.01 1.47 -0.25 0.00 0.04 0.00 0.00 61.00 62.26 1thw s PRO 111 Cb -0.07 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.56 1thw s PRO 111 CO 0.01 -1.11 0.59 1.41 0.04 0.00 0.00 177.00 177.93 1thw s MET 112 N -3.81 0.87 -0.06 4.56 0.00 -0.18 -1.05 119.30 119.62 1thw s MET 112 Ca 0.69 0.39 0.05 0.00 0.00 0.00 0.00 55.69 56.82 1thw s MET 112 Cb -0.22 0.41 -0.01 0.00 0.00 0.00 0.00 34.83 35.01 1thw s MET 112 CO 0.36 -0.22 -0.23 0.34 0.00 0.00 0.00 175.02 175.28 1thw s ASP 113 N -0.68 3.23 -0.28 1.11 -1.08 -0.37 -1.03 116.67 117.57 1thw s ASP 113 Ca -0.08 -0.47 -0.00 0.00 -0.52 0.00 0.00 52.55 51.48 1thw s ASP 113 Cb -0.02 -0.91 0.09 0.00 -1.46 0.00 0.00 42.92 40.61 1thw s ASP 113 CO 0.06 0.25 0.06 0.12 0.52 0.00 0.00 175.17 176.18 1thw s PHE 114 N -0.17 1.88 0.12 -5.34 5.36 0.53 -1.55 117.98 118.81 1thw s PHE 114 Ca -0.03 -1.72 0.06 0.00 -0.96 0.00 0.00 56.93 54.28 1thw s PHE 114 Cb -0.14 -1.70 -0.04 0.00 -0.34 0.00 0.00 43.02 40.81 1thw s PHE 114 CO 0.04 -0.83 -0.15 -1.12 -1.46 0.00 0.00 175.22 171.70 1thw s SER 115 N 1.56 2.01 0.42 6.13 0.01 -0.72 -1.35 113.70 121.77 1thw s SER 115 Ca 0.06 -0.78 -0.22 0.00 1.31 0.00 0.00 55.95 56.32 1thw s SER 115 Cb -0.18 -0.07 -0.11 0.00 0.21 0.00 0.00 66.02 65.88 1thw s SER 115 CO -0.18 -0.12 0.96 -2.16 0.41 0.00 0.00 173.24 172.15 1thw s PRO 116 N -2.52 4.22 0.00 12.44 0.04 -1.26 -0.54 135.00 147.38 1thw s PRO 116 Ca 0.08 1.18 0.14 0.00 0.04 0.00 0.00 61.00 62.43 1thw s PRO 116 Cb -0.06 -2.24 0.28 0.00 0.04 0.00 0.00 34.50 32.52 1thw s PRO 116 CO 0.03 -0.04 1.18 0.25 0.04 0.00 0.00 177.00 178.46 1thw n THR 117 N -0.54 0.64 -4.42 1.26 -2.24 0.28 -4.77 114.28 104.49 1thw n THR 117 Ca 0.07 -0.82 -0.28 0.00 -2.27 0.00 0.00 64.05 60.75 1thw n THR 117 Cb 0.53 0.78 -0.08 0.00 -2.10 0.00 0.00 70.33 69.47 1thw n THR 117 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1thw s THR 118 N -1.06 1.87 0.60 4.28 -4.23 -1.24 -4.93 115.64 110.93 1thw s THR 118 Ca 0.24 -1.85 -0.06 0.00 -1.18 0.00 0.00 61.69 58.84 1thw s THR 118 Cb 0.14 -2.72 0.01 0.00 1.34 0.00 0.00 72.50 71.27 1thw s THR 118 CO 0.19 0.00 0.92 -0.13 -0.54 0.00 0.00 174.62 175.05 1thw s ARG 119 N -3.87 2.84 0.00 3.99 0.52 -1.26 -4.64 118.95 116.54 1thw s ARG 119 Ca 0.30 -0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.48 1thw s ARG 119 Cb 0.05 -2.26 0.00 0.00 0.52 0.00 0.00 34.95 33.26 1thw s ARG 119 CO 0.16 -0.76 0.00 0.41 0.02 0.00 0.00 175.30 175.13 1thw n GLY 120 N -2.62 1.98 3.83 -3.53 0.00 -1.26 -4.74 105.19 98.84 1thw n GLY 120 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 1thw n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1thw s ARG 122 N -2.24 2.42 0.54 0.00 1.70 -1.26 -4.82 118.95 115.28 1thw s ARG 122 Ca 0.17 -1.69 0.08 0.00 -0.47 0.00 0.00 55.73 53.82 1thw s ARG 122 Cb -0.04 -2.25 0.05 0.00 -0.57 0.00 0.00 34.95 32.14 1thw s ARG 122 CO 0.10 -0.26 0.57 0.20 -1.08 0.00 0.00 175.30 174.83 1thw s GLY 123 N -4.12 2.05 0.12 3.88 0.00 -1.26 -4.65 107.32 103.33 1thw s GLY 123 Ca 0.45 -1.73 0.04 0.00 0.00 0.00 0.00 44.72 43.47 1thw s GLY 123 CO 0.26 -1.78 -0.09 -1.34 0.00 0.00 0.00 173.10 170.14 1thw s VAL 124 N -2.67 0.96 0.02 1.40 -7.23 -0.45 -4.98 120.40 107.44 1thw s VAL 124 Ca 0.48 -1.86 -0.18 0.00 -1.81 0.00 0.00 61.98 58.61 1thw s VAL 124 Cb -0.04 -1.61 0.04 0.00 0.56 0.00 0.00 36.38 35.32 1thw s VAL 124 CO 0.30 -0.70 0.41 -0.60 -0.31 0.00 0.00 175.10 174.20 1thw s ARG 125 N -3.38 0.86 -0.31 4.82 3.52 -1.26 -0.34 118.95 122.85 1thw s ARG 125 Ca 0.11 -0.26 -0.02 0.00 -0.13 0.00 0.00 55.73 55.43 1thw s ARG 125 Cb 0.01 0.39 0.12 0.00 -1.56 0.00 0.00 34.95 33.90 1thw s ARG 125 CO -0.01 -0.28 0.16 0.00 -0.81 0.00 0.00 175.30 174.37 1thw n ALA 127 N 4.76 2.37 -1.52 0.00 0.00 -1.26 -1.01 120.51 123.85 1thw n ALA 127 Ca 0.01 -2.41 -0.31 0.00 0.00 0.00 0.00 53.44 50.74 1thw n ALA 127 Cb 0.40 -0.41 0.06 0.00 0.00 0.00 0.00 19.45 19.50 1thw n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1thw s ALA 128 N -2.32 2.56 -1.50 0.00 0.00 -1.26 -4.92 121.76 114.32 1thw s ALA 128 Ca 0.27 0.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.18 1thw s ALA 128 Cb 0.24 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 20.19 1thw s ALA 128 CO 0.01 -1.37 2.39 -3.47 0.00 0.00 0.00 175.76 173.33 1thw n ASP 129 N -3.23 5.01 -0.22 0.00 2.03 -1.26 -4.71 116.55 114.17 1thw n ASP 129 Ca 0.08 -2.78 -0.05 0.00 0.52 0.00 0.00 54.79 52.55 1thw n ASP 129 Cb 0.54 -1.63 0.10 0.00 -0.72 0.00 0.00 41.12 39.41 1thw n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1thw h ILE 130 N 3.77 1.25 -0.74 5.18 2.04 -1.97 -2.25 117.51 124.79 1thw h ILE 130 Ca 0.64 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 1thw h ILE 130 Cb 0.56 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1thw h ILE 130 CO 1.86 0.34 0.26 0.58 0.00 0.00 0.00 178.15 181.19 1thw h VAL 131 N 1.01 1.26 -0.30 1.67 2.07 -1.89 -0.92 116.25 119.13 1thw h VAL 131 Ca 0.22 -0.86 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 1thw h VAL 131 Cb 0.31 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1thw h VAL 131 CO -0.01 0.34 -0.24 1.23 0.02 0.00 0.00 177.57 178.92 1thw h GLY 132 N 1.08 0.64 -1.14 2.17 0.00 -1.85 -2.99 103.07 100.98 1thw h GLY 132 Ca 0.24 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1thw h GLY 132 CO -0.01 0.48 0.00 -1.06 0.00 0.00 0.00 176.54 175.95 1thw n GLN 133 N -4.12 1.94 -1.66 4.80 1.13 -0.88 -4.98 117.38 113.60 1thw n GLN 133 Ca -0.00 -1.39 -0.45 0.00 -1.94 0.00 0.00 57.00 53.21 1thw n GLN 133 Cb 0.41 -1.45 -0.03 0.00 0.11 0.00 0.00 30.24 29.28 1thw n GLN 133 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1thw n PRO 135 N 2.39 2.58 -0.33 0.00 -0.02 -1.26 -4.77 135.00 133.59 1thw n PRO 135 Ca 0.13 0.91 0.16 0.00 -2.02 0.00 0.00 63.50 62.69 1thw n PRO 135 Cb 0.30 -2.65 0.40 0.00 -0.02 0.00 0.00 33.50 31.53 1thw n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1thw h ALA 136 N 3.95 1.88 0.00 3.55 0.00 -1.97 0.20 119.26 126.87 1thw h ALA 136 Ca -0.48 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1thw h ALA 136 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1thw h ALA 136 CO 0.73 -0.25 0.00 1.63 0.00 0.00 0.00 179.25 181.35 1thw n LYS 137 N -4.70 0.20 0.00 0.00 5.02 -1.26 -2.98 118.16 114.43 1thw n LYS 137 Ca 0.23 0.40 0.08 0.00 -2.02 0.00 0.00 58.31 57.00 1thw n LYS 137 Cb 0.67 -1.86 -0.08 0.00 -0.02 0.00 0.00 35.03 33.73 1thw n LYS 137 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1thw n LEU 138 N -2.23 0.89 -4.73 -0.35 4.77 0.65 -4.97 117.00 111.03 1thw n LEU 138 Ca 0.03 -0.53 -0.42 0.00 -0.03 0.00 0.00 56.01 55.06 1thw n LEU 138 Cb 0.25 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1thw n LEU 138 CO 0.21 0.21 1.21 -0.54 -1.33 0.00 0.00 177.39 177.15 1thw s LYS 139 N -2.50 4.22 -0.15 3.23 1.02 -0.90 -0.76 119.74 123.90 1thw s LYS 139 Ca 0.07 2.38 -0.14 0.00 0.02 0.00 0.00 55.97 58.30 1thw s LYS 139 Cb 0.13 -3.13 -0.05 0.00 -0.52 0.00 0.00 37.83 34.26 1thw s LYS 139 CO 0.65 -0.57 0.30 0.00 -0.92 0.00 0.00 175.35 174.81 1thw s ALA 140 N 0.78 3.60 0.15 5.17 0.00 -0.69 -4.86 121.76 125.91 1thw s ALA 140 Ca 0.67 -0.44 -0.18 0.00 0.00 0.00 0.00 51.96 52.01 1thw s ALA 140 Cb -0.44 -2.38 0.05 0.00 0.00 0.00 0.00 23.12 20.35 1thw s ALA 140 CO 0.35 0.12 1.68 -1.35 0.00 0.00 0.00 175.76 176.57 1thw h PRO 141 N 6.53 -0.00 0.00 0.00 0.11 -1.94 -1.20 132.00 135.50 1thw h PRO 141 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1thw h PRO 141 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1thw h PRO 141 CO 0.74 -0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.31 1thw h GLY 142 N -0.00 0.00 0.00 -0.55 0.00 -1.95 -3.47 103.07 97.10 1thw h GLY 142 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1thw h GLY 142 CO -0.34 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.81 1thw n GLY 143 N -1.08 4.02 0.00 4.60 0.00 -0.45 -4.75 105.19 107.53 1thw n GLY 143 Ca -0.02 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1thw n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1thw n GLY 144 N -1.48 0.90 2.97 -0.02 0.00 -1.26 -4.56 105.19 101.74 1thw n GLY 144 Ca 0.00 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.75 1thw n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1thw s ASN 146 N 1.34 5.22 0.53 0.00 0.01 0.06 -1.17 114.94 120.93 1thw s ASN 146 Ca -0.06 1.61 -0.06 0.00 -0.71 0.00 0.00 52.86 53.64 1thw s ASN 146 Cb -0.19 -2.46 -0.02 0.00 0.41 0.00 0.00 41.25 38.98 1thw s ASN 146 CO -0.06 -1.55 0.84 1.51 -1.51 0.00 0.00 177.10 176.34 1thw s ASP 147 N -3.76 6.08 0.44 -1.22 -4.77 -1.26 -4.81 116.67 107.37 1thw s ASP 147 Ca 0.59 0.93 0.19 0.00 -3.30 0.00 0.00 52.55 50.95 1thw s ASP 147 Cb -0.14 -2.13 1.03 0.00 -1.09 0.00 0.00 42.92 40.59 1thw s ASP 147 CO 0.55 -0.74 1.94 0.00 0.70 0.00 0.00 175.17 177.62 1thw h ALA 148 N 0.06 1.38 -0.05 2.11 0.00 -1.93 -2.76 119.26 118.07 1thw h ALA 148 Ca -0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 1thw h ALA 148 Cb 1.22 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1thw h ALA 148 CO 0.61 0.30 -0.01 0.00 0.00 0.00 0.00 179.25 180.15 1thw h THR 150 N -0.26 0.90 0.05 0.00 2.02 -1.86 -0.52 112.91 113.25 1thw h THR 150 Ca 0.01 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1thw h THR 150 Cb 0.40 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1thw h THR 150 CO 0.00 0.13 -0.03 0.58 0.37 0.00 0.00 175.52 176.58 1thw h VAL 151 N 0.72 1.29 0.00 3.16 2.07 -1.43 -3.39 116.25 118.67 1thw h VAL 151 Ca 0.36 -1.38 -0.07 0.00 0.82 0.00 0.00 66.70 66.43 1thw h VAL 151 Cb 0.33 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1thw h VAL 151 CO -0.24 0.33 -1.61 0.49 0.02 0.00 0.00 177.57 176.56 1thw n PHE 152 N -4.83 0.50 -3.70 1.57 3.72 0.11 -5.02 117.46 109.82 1thw n PHE 152 Ca -0.09 0.15 -0.22 0.00 -0.05 0.00 0.00 57.45 57.24 1thw n PHE 152 Cb 0.30 -0.81 0.04 0.00 -0.94 0.00 0.00 39.48 38.07 1thw n PHE 152 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1thw n GLN 153 N -2.56 -5.35 -4.13 -1.08 1.13 -0.21 -4.99 117.38 100.18 1thw n GLN 153 Ca -0.07 0.65 -0.24 0.00 -1.94 0.00 0.00 57.00 55.41 1thw n GLN 153 Cb 0.67 -5.34 -0.05 0.00 0.11 0.00 0.00 30.24 25.63 1thw n GLN 153 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1thw s THR 154 N -3.56 4.28 0.46 5.09 -4.23 -1.26 -5.02 115.64 111.40 1thw s THR 154 Ca 0.13 -1.37 0.11 0.00 -1.18 0.00 0.00 61.69 59.38 1thw s THR 154 Cb -0.06 -3.26 0.27 0.00 1.34 0.00 0.00 72.50 70.78 1thw s THR 154 CO 0.80 -0.26 2.09 0.28 -0.54 0.00 0.00 174.62 176.99 1thw h SER 155 N 1.90 0.27 -0.03 3.99 0.02 -1.96 -1.30 113.55 116.45 1thw h SER 155 Ca -0.48 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 1thw h SER 155 Cb 1.23 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 1thw h SER 155 CO 0.61 0.19 -0.00 -0.08 -1.14 0.00 0.00 176.83 176.41 1thw h GLU 156 N 0.32 0.05 -0.13 3.45 4.57 -1.96 0.31 114.58 121.19 1thw h GLU 156 Ca 0.10 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.12 1thw h GLU 156 Cb -0.00 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1thw h GLU 156 CO -0.02 0.39 -0.53 1.88 -1.18 0.00 0.00 179.01 179.55 1thw h TYR 157 N -0.30 0.46 -0.00 0.92 0.05 -1.88 -3.11 116.97 113.11 1thw h TYR 157 Ca 0.01 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.63 1thw h TYR 157 Cb 0.37 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1thw h TYR 157 CO 0.05 0.82 -0.46 0.00 -1.05 0.00 0.00 178.16 177.52 1thw h THR 160 N -0.37 0.45 -0.01 0.00 1.35 -1.72 -1.51 112.91 111.10 1thw h THR 160 Ca -0.47 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1thw h THR 160 Cb 1.34 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1thw h THR 160 CO 0.54 0.03 -0.33 0.35 -0.25 0.00 0.00 175.52 175.86 1thw n THR 161 N -3.67 0.00 -0.22 6.82 -2.24 -1.26 -4.86 114.28 108.84 1thw n THR 161 Ca -0.03 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1thw n THR 161 Cb 0.12 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1thw n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1thw n GLY 162 N 1.37 0.67 3.00 3.38 0.00 -0.57 -5.03 105.19 108.00 1thw n GLY 162 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1thw n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1thw s LYS 163 N -0.73 1.68 -0.07 1.61 1.02 -1.26 -5.09 119.74 116.91 1thw s LYS 163 Ca 0.00 -0.38 -0.31 0.00 0.02 0.00 0.00 55.97 55.30 1thw s LYS 163 Cb 0.00 -1.48 0.11 0.00 -0.52 0.00 0.00 37.83 35.95 1thw s LYS 163 CO 0.00 -0.05 0.99 0.00 -0.92 0.00 0.00 175.35 175.37 1thw s GLY 165 N -2.34 2.96 0.93 0.00 0.00 -1.26 -4.91 107.32 102.70 1thw s GLY 165 Ca 0.06 -0.58 -0.11 0.00 0.00 0.00 0.00 44.72 44.10 1thw s GLY 165 CO -0.07 -2.16 1.10 2.56 0.00 0.00 0.00 173.10 174.52 1thw s PRO 166 N -3.85 0.94 0.25 2.90 0.04 -1.26 -4.98 135.00 129.04 1thw s PRO 166 Ca 0.09 1.16 0.02 0.00 0.04 0.00 0.00 61.00 62.31 1thw s PRO 166 Cb 0.02 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 1thw s PRO 166 CO 0.05 -2.56 0.16 0.95 0.04 0.00 0.00 177.00 175.64 1thw s THR 167 N -2.73 0.16 0.26 1.26 -4.23 -1.26 -5.00 115.64 104.09 1thw s THR 167 Ca 0.65 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.14 1thw s THR 167 Cb -0.21 -2.52 0.23 0.00 1.34 0.00 0.00 72.50 71.34 1thw s THR 167 CO 0.59 0.00 1.78 -0.08 -0.54 0.00 0.00 174.62 176.36 1thw h GLU 168 N 2.41 0.66 -0.33 3.99 4.57 -1.99 -0.70 114.58 123.19 1thw h GLU 168 Ca -0.34 -0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 57.64 1thw h GLU 168 Cb 1.25 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1thw h GLU 168 CO 0.51 0.43 -0.42 1.88 -1.18 0.00 0.00 179.01 180.24 1thw h TYR 169 N 0.68 1.06 -0.21 0.92 0.05 -2.00 -2.94 116.97 114.52 1thw h TYR 169 Ca 0.44 -0.34 0.02 0.00 0.05 0.00 0.00 58.73 58.90 1thw h TYR 169 Cb 0.55 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 1thw h TYR 169 CO -0.08 1.16 0.06 1.03 -1.05 0.00 0.00 178.16 179.27 1thw h SER 170 N 0.66 0.05 0.39 3.88 0.87 -1.72 -2.82 113.55 114.86 1thw h SER 170 Ca 0.04 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 1thw h SER 170 Cb 1.02 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1thw h SER 170 CO 0.10 0.06 -0.13 0.03 -0.53 0.00 0.00 176.83 176.36 1thw h ARG 171 N 0.15 0.00 0.04 2.24 3.08 -1.09 -1.45 114.38 117.35 1thw h ARG 171 Ca 0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1thw h ARG 171 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1thw h ARG 171 CO -0.11 0.13 -0.02 0.35 -1.07 0.00 0.00 179.97 179.26 1thw h PHE 172 N 0.00 -0.04 -0.69 3.04 3.57 -1.32 0.69 116.94 122.19 1thw h PHE 172 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1thw h PHE 172 Cb 0.36 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1thw h PHE 172 CO 0.00 0.20 0.37 0.74 -2.23 0.00 0.00 178.31 177.39 1thw h PHE 173 N -0.29 0.95 -0.02 0.41 0.04 -1.37 -2.60 116.94 114.07 1thw h PHE 173 Ca -0.00 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.63 1thw h PHE 173 Cb 0.26 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 1thw h PHE 173 CO 0.01 0.68 -0.52 -0.22 -0.60 0.00 0.00 178.31 177.65 1thw h LYS 174 N 0.95 0.05 -0.29 1.51 1.63 -1.24 0.14 116.57 119.32 1thw h LYS 174 Ca 0.24 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.97 1thw h LYS 174 Cb 0.05 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1thw h LYS 174 CO -0.04 0.56 -0.00 -0.09 -3.45 0.00 0.00 179.45 176.43 1thw h ARG 175 N 0.04 0.52 0.04 1.90 2.43 -0.58 -2.31 114.38 116.42 1thw h ARG 175 Ca -0.00 -0.17 -0.22 0.00 -0.81 0.00 0.00 59.98 58.78 1thw h ARG 175 Cb 0.94 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1thw h ARG 175 CO 0.07 0.67 -1.00 -0.07 -1.51 0.00 0.00 179.97 178.13 1thw h LEU 176 N 0.31 0.31 -6.53 3.80 3.38 -1.39 -3.40 115.31 111.80 1thw h LEU 176 Ca 0.08 -0.28 -0.60 0.00 0.09 0.00 0.00 57.88 57.17 1thw h LEU 176 Cb 0.44 -0.10 -0.39 0.00 0.09 0.00 0.00 40.66 40.70 1thw h LEU 176 CO 0.02 1.14 -0.89 0.00 0.09 0.00 0.00 178.44 178.79 1thw h PRO 178 N 5.69 0.00 -0.16 0.00 0.11 -1.63 -2.58 132.00 133.44 1thw h PRO 178 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1thw h PRO 178 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1thw h PRO 178 CO 0.43 0.05 0.00 -0.25 -0.21 0.00 0.00 178.00 178.02 1thw n ASP 179 N -4.02 1.27 -4.60 -2.05 8.00 -1.26 -4.81 116.55 109.08 1thw n ASP 179 Ca -0.03 -1.72 -0.29 0.00 0.71 0.00 0.00 54.79 53.46 1thw n ASP 179 Cb 0.14 -0.10 -0.09 0.00 -0.02 0.00 0.00 41.12 41.04 1thw n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1thw s ALA 180 N -1.80 3.02 0.16 2.24 0.00 -0.97 -4.67 121.76 119.74 1thw s ALA 180 Ca 0.28 -1.26 -0.31 0.00 0.00 0.00 0.00 51.96 50.67 1thw s ALA 180 Cb 0.15 -0.93 -0.09 0.00 0.00 0.00 0.00 23.12 22.25 1thw s ALA 180 CO 0.22 0.62 1.43 -0.06 0.00 0.00 0.00 175.76 177.97 1thw s PHE 181 N -1.32 3.17 -0.22 0.00 0.40 -0.80 -4.82 117.98 114.39 1thw s PHE 181 Ca 0.23 0.91 0.16 0.00 -0.60 0.00 0.00 56.93 57.64 1thw s PHE 181 Cb -0.11 -3.75 -0.24 0.00 0.51 0.00 0.00 43.02 39.43 1thw s PHE 181 CO 0.15 -2.62 0.45 -1.13 0.70 0.00 0.00 175.22 172.77 1thw n SER 182 N 3.55 1.09 -3.63 1.36 3.41 -1.26 -0.85 113.62 117.29 1thw n SER 182 Ca 0.11 -0.24 -0.08 0.00 -0.26 0.00 0.00 58.87 58.40 1thw n SER 182 Cb 0.41 1.55 -0.02 0.00 -0.26 0.00 0.00 64.21 65.90 1thw n SER 182 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1thw s TYR 183 N -2.98 -0.31 0.25 7.33 1.13 -1.26 -4.65 117.35 116.86 1thw s TYR 183 Ca -0.03 0.03 -0.05 0.00 -1.41 0.00 0.00 57.07 55.61 1thw s TYR 183 Cb 0.11 0.61 0.49 0.00 -1.10 0.00 0.00 41.96 42.07 1thw s TYR 183 CO 0.68 -0.88 1.65 0.28 -2.51 0.00 0.00 175.55 174.77 1thw h VAL 184 N 2.00 0.39 -0.82 -3.49 2.07 -1.93 -1.44 116.25 113.04 1thw h VAL 184 Ca -0.25 -0.06 -0.36 0.00 0.82 0.00 0.00 66.70 66.85 1thw h VAL 184 Cb 1.26 0.21 -0.22 0.00 -1.52 0.00 0.00 31.29 31.02 1thw h VAL 184 CO 0.30 0.03 0.42 0.18 0.02 0.00 0.00 177.57 178.52 1thw n LEU 185 N -5.27 6.16 -4.72 2.57 4.32 -1.26 -4.99 117.00 113.81 1thw n LEU 185 Ca 0.15 -3.49 -0.34 0.00 -0.02 0.00 0.00 56.01 52.31 1thw n LEU 185 Cb 0.50 -0.78 0.10 0.00 -1.62 0.00 0.00 43.42 41.62 1thw n LEU 185 CO 0.07 0.98 0.79 -0.62 -1.22 0.00 0.00 177.39 177.40 1thw s ASP 186 N -1.37 4.11 0.10 -1.43 -1.08 -0.54 -4.89 116.67 111.57 1thw s ASP 186 Ca 0.55 2.34 -0.31 0.00 -0.52 0.00 0.00 52.55 54.60 1thw s ASP 186 Cb 0.46 -2.59 -0.09 0.00 -1.46 0.00 0.00 42.92 39.24 1thw s ASP 186 CO 0.10 -2.32 1.57 -0.75 0.52 0.00 0.00 175.17 174.30 1thw s LYS 187 N -3.98 4.22 0.26 4.34 2.20 -1.26 -4.84 119.74 120.69 1thw s LYS 187 Ca 0.74 2.29 -0.30 0.00 -0.36 0.00 0.00 55.97 58.34 1thw s LYS 187 Cb -0.29 -3.39 -0.14 0.00 -1.51 0.00 0.00 37.83 32.50 1thw s LYS 187 CO 0.46 -0.64 1.15 -2.30 -0.36 0.00 0.00 175.35 173.66 1thw n PRO 188 N 4.80 1.53 -0.15 4.03 -0.02 -1.26 -4.92 135.00 139.01 1thw n PRO 188 Ca 0.14 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 62.24 1thw n PRO 188 Cb 0.40 -2.02 0.15 0.00 -0.02 0.00 0.00 33.50 32.01 1thw n PRO 188 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1thw n THR 189 N 0.83 1.79 -2.07 3.45 -2.24 -1.26 -5.03 114.28 109.75 1thw n THR 189 Ca 0.11 -1.93 -0.40 0.00 -2.27 0.00 0.00 64.05 59.56 1thw n THR 189 Cb 0.31 -0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.43 1thw n THR 189 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1thw s THR 190 N -2.48 2.63 -0.15 4.28 2.01 -1.26 -4.83 115.64 115.83 1thw s THR 190 Ca 0.29 0.60 -0.06 0.00 0.31 0.00 0.00 61.69 62.83 1thw s THR 190 Cb 0.24 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1thw s THR 190 CO 0.04 0.12 0.06 -0.69 -0.69 0.00 0.00 174.62 173.47 1thw s VAL 191 N -1.20 4.83 -0.24 3.82 1.01 0.25 -4.96 120.40 123.91 1thw s VAL 191 Ca 0.53 -0.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.39 1thw s VAL 191 Cb -0.39 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1thw s VAL 191 CO 0.51 0.52 0.12 -0.89 0.00 0.00 0.00 175.10 175.36 1thw s THR 192 N -0.15 4.88 0.26 3.92 2.01 -1.26 -1.08 115.64 124.22 1thw s THR 192 Ca 0.07 0.02 0.11 0.00 0.31 0.00 0.00 61.69 62.20 1thw s THR 192 Cb -0.12 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 1thw s THR 192 CO 0.01 0.34 -0.18 0.00 -0.69 0.00 0.00 174.62 174.10 1thw s PRO 194 N -3.55 3.46 0.35 0.00 0.02 -1.26 0.57 135.00 134.58 1thw s PRO 194 Ca 0.28 2.15 -0.28 0.00 0.02 0.00 0.00 61.00 63.17 1thw s PRO 194 Cb -0.04 -2.41 -0.12 0.00 0.02 0.00 0.00 34.50 31.95 1thw s PRO 194 CO 0.13 -0.91 1.35 0.41 -0.33 0.00 0.00 177.00 177.64 1thw n GLY 195 N 0.64 0.75 2.58 0.52 0.00 -0.92 -2.78 105.19 105.98 1thw n GLY 195 Ca 0.08 0.32 -0.14 0.00 0.00 0.00 0.00 46.02 46.28 1thw n GLY 195 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1thw n SER 196 N 0.75 -4.44 -4.54 1.61 7.64 -1.26 -4.94 113.62 108.44 1thw n SER 196 Ca 0.04 -0.21 -0.28 0.00 1.01 0.00 0.00 58.87 59.43 1thw n SER 196 Cb 0.37 -3.25 0.13 0.00 -1.01 0.00 0.00 64.21 60.45 1thw n SER 196 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1thw s SER 197 N -2.91 3.91 0.22 6.43 0.01 -1.12 -4.99 113.70 115.26 1thw s SER 197 Ca 0.23 0.40 0.11 0.00 1.31 0.00 0.00 55.95 57.99 1thw s SER 197 Cb -0.10 -0.70 -0.05 0.00 0.21 0.00 0.00 66.02 65.39 1thw s SER 197 CO 0.28 -2.23 -0.21 0.20 0.41 0.00 0.00 173.24 171.69 1thw s ASN 198 N -4.73 3.26 0.18 2.44 0.01 -1.26 -4.54 114.94 110.30 1thw s ASN 198 Ca 0.68 -0.94 -0.02 0.00 -0.71 0.00 0.00 52.86 51.86 1thw s ASN 198 Cb -0.07 -0.24 -0.04 0.00 0.41 0.00 0.00 41.25 41.31 1thw s ASN 198 CO 0.50 0.03 0.14 -0.31 -1.51 0.00 0.00 177.10 175.95 1thw s TYR 199 N -2.16 0.94 -0.04 2.20 2.02 -0.74 0.10 117.35 119.67 1thw s TYR 199 Ca 0.23 -1.23 0.02 0.00 -0.37 0.00 0.00 57.07 55.71 1thw s TYR 199 Cb -0.06 -0.44 0.01 0.00 -0.40 0.00 0.00 41.96 41.08 1thw s TYR 199 CO 0.11 -0.63 -0.07 0.50 -1.57 0.00 0.00 175.55 173.89 1thw s ARG 200 N -4.10 0.92 -0.17 -0.62 3.52 0.29 -0.70 118.95 118.11 1thw s ARG 200 Ca 0.31 -0.19 -0.02 0.00 -0.13 0.00 0.00 55.73 55.70 1thw s ARG 200 Cb 0.06 -0.88 -0.01 0.00 -1.56 0.00 0.00 34.95 32.57 1thw s ARG 200 CO 0.07 -0.00 -0.09 0.08 -0.81 0.00 0.00 175.30 174.55 1thw s VAL 201 N 0.62 3.23 -0.13 7.11 1.01 0.98 -1.75 120.40 131.47 1thw s VAL 201 Ca -0.09 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1thw s VAL 201 Cb -0.12 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1thw s VAL 201 CO 0.01 0.49 -0.21 -0.89 0.00 0.00 0.00 175.10 174.49 1thw s THR 202 N 0.80 2.18 0.05 3.92 2.01 -0.60 -0.42 115.64 123.58 1thw s THR 202 Ca -0.03 -0.95 -0.18 0.00 0.31 0.00 0.00 61.69 60.84 1thw s THR 202 Cb -0.15 -1.86 -0.06 0.00 0.01 0.00 0.00 72.50 70.43 1thw s THR 202 CO 0.01 0.55 0.51 -0.36 -0.69 0.00 0.00 174.62 174.64 1thw s PHE 203 N 0.65 3.77 -1.16 4.92 0.08 -0.06 -1.23 117.98 124.95 1thw s PHE 203 Ca -0.11 1.17 -0.07 0.00 0.12 0.00 0.00 56.93 58.04 1thw s PHE 203 Cb -0.16 -2.42 -0.03 0.00 -0.57 0.00 0.00 43.02 39.84 1thw s PHE 203 CO 0.02 0.60 0.84 0.00 -0.10 0.00 0.00 175.22 176.58 1thw h PRO 205 N -1.60 0.46 -5.41 0.00 0.13 -1.80 -3.40 132.00 120.39 1thw h PRO 205 Ca -0.62 -0.03 -0.63 0.00 -0.87 0.00 0.00 66.00 63.85 1thw h PRO 205 Cb 1.34 -0.10 -0.13 0.00 0.13 0.00 0.00 31.00 32.23 1thw h PRO 205 CO 0.49 0.30 0.07 0.95 -0.23 0.00 0.00 178.00 179.59 1thw s THR 206 N -5.43 4.96 0.00 1.56 -4.23 -1.26 -5.09 115.64 106.14 1thw s THR 206 Ca -0.08 0.62 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1thw s THR 206 Cb 0.18 -4.00 0.00 0.00 1.34 0.00 0.00 72.50 70.02 1thw s THR 206 CO 0.73 -0.20 0.00 0.00 -0.54 0.00 0.00 174.62 174.61