#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsh n LYS 3 N 0.00 2.86 -3.50 3.23 4.81 -1.26 -4.67 118.16 119.63 1wsh n LYS 3 Ca 0.00 1.05 -0.37 0.00 -0.87 0.00 0.00 58.31 58.12 1wsh n LYS 3 Cb 0.00 -3.00 -0.07 0.00 0.02 0.00 0.00 35.03 31.98 1wsh n LYS 3 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1wsh s GLN 4 N 4.45 4.23 0.05 1.64 -0.44 -1.26 -0.33 119.66 128.00 1wsh s GLN 4 Ca 0.89 0.18 -0.01 0.00 -2.50 0.00 0.00 55.36 53.92 1wsh s GLN 4 Cb -0.44 -3.41 -0.04 0.00 -1.64 0.00 0.00 33.01 27.48 1wsh s GLN 4 CO 0.42 0.26 -0.03 0.08 0.50 0.00 0.00 175.29 176.53 1wsh s VAL 5 N 0.36 0.24 -0.07 1.34 1.01 -0.37 -4.67 120.40 118.25 1wsh s VAL 5 Ca 0.19 -1.62 0.05 0.00 0.00 0.00 0.00 61.98 60.60 1wsh s VAL 5 Cb -0.14 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1wsh s VAL 5 CO 0.06 -0.87 -0.24 -1.61 0.00 0.00 0.00 175.10 172.43 1wsh s GLU 6 N -3.36 2.72 -0.05 2.72 2.02 -0.69 -1.76 118.70 120.30 1wsh s GLU 6 Ca 0.02 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.16 1wsh s GLU 6 Cb 0.04 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 32.05 1wsh s GLU 6 CO -0.08 0.32 -0.15 0.42 0.02 0.00 0.00 175.26 175.80 1wsh s ILE 7 N -0.01 1.29 -0.04 -1.63 1.01 -0.31 -0.98 121.20 120.52 1wsh s ILE 7 Ca -0.08 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.04 1wsh s ILE 7 Cb -0.15 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 1wsh s ILE 7 CO 0.05 0.38 -0.25 -0.36 0.00 0.00 0.00 174.94 174.76 1wsh s PHE 8 N 0.34 2.35 0.05 3.97 0.08 -0.36 0.15 117.98 124.56 1wsh s PHE 8 Ca -0.09 -0.57 -0.03 0.00 0.12 0.00 0.00 56.93 56.36 1wsh s PHE 8 Cb -0.13 -1.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.76 1wsh s PHE 8 CO 0.03 -0.12 0.03 0.95 -0.10 0.00 0.00 175.22 176.01 1wsh s THR 9 N -0.39 0.18 -0.23 0.64 -4.23 -0.54 -0.84 115.64 110.23 1wsh s THR 9 Ca 0.04 -1.46 -0.27 0.00 -1.18 0.00 0.00 61.69 58.82 1wsh s THR 9 Cb -0.12 -1.23 0.11 0.00 1.34 0.00 0.00 72.50 72.60 1wsh s THR 9 CO 0.01 -0.81 0.94 -0.62 -0.54 0.00 0.00 174.62 173.60 1wsh s ASP 10 N -2.59 -0.50 0.17 3.99 3.68 -0.51 -4.42 116.67 116.48 1wsh s ASP 10 Ca 0.02 0.84 0.10 0.00 2.13 0.00 0.00 52.55 55.64 1wsh s ASP 10 Cb 0.04 0.80 -0.04 0.00 -1.45 0.00 0.00 42.92 42.27 1wsh s ASP 10 CO -0.08 -0.26 -0.20 -0.83 0.13 0.00 0.00 175.17 173.93 1wsh s GLY 11 N -0.21 1.70 -0.01 2.66 0.00 -1.26 -0.98 107.32 109.21 1wsh s GLY 11 Ca 0.00 -1.54 -0.08 0.00 0.00 0.00 0.00 44.72 43.10 1wsh s GLY 11 CO -0.01 -1.55 0.17 -0.45 0.00 0.00 0.00 173.10 171.25 1wsh s SER 12 N -2.57 -0.05 -0.20 1.64 0.15 0.07 -4.78 113.70 107.96 1wsh s SER 12 Ca 0.21 -0.06 -0.17 0.00 0.70 0.00 0.00 55.95 56.62 1wsh s SER 12 Cb -0.09 0.26 0.05 0.00 -1.71 0.00 0.00 66.02 64.53 1wsh s SER 12 CO 0.11 -0.33 0.53 0.00 1.20 0.00 0.00 173.24 174.75 1wsh n LEU 14 N 2.99 0.44 0.00 0.00 4.77 0.38 -4.90 117.00 120.68 1wsh n LEU 14 Ca -0.15 0.06 -0.01 0.00 -0.03 0.00 0.00 56.01 55.88 1wsh n LEU 14 Cb 0.56 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1wsh n LEU 14 CO 0.09 0.09 0.04 0.61 -1.33 0.00 0.00 177.39 176.88 1wsh n GLY 15 N 1.35 2.45 2.47 -0.72 0.00 -1.26 -4.90 105.19 104.57 1wsh n GLY 15 Ca 0.12 -1.22 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 1wsh n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wsh n ASN 16 N -1.57 -1.33 -4.93 1.61 5.15 -1.26 -3.76 115.26 109.17 1wsh n ASN 16 Ca -0.00 -2.77 -0.25 0.00 -0.60 0.00 0.00 54.58 50.95 1wsh n ASN 16 Cb 0.07 0.34 0.06 0.00 -0.53 0.00 0.00 39.78 39.72 1wsh n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1wsh s PRO 17 N -0.05 2.39 -0.01 1.20 0.04 -1.26 -5.03 135.00 132.27 1wsh s PRO 17 Ca 0.33 -0.25 -0.23 0.00 0.04 0.00 0.00 61.00 60.89 1wsh s PRO 17 Cb 0.11 -2.22 0.07 0.00 0.04 0.00 0.00 34.50 32.50 1wsh s PRO 17 CO -0.15 -1.07 1.02 0.41 0.04 0.00 0.00 177.00 177.25 1wsh n GLY 18 N -2.79 0.32 3.77 0.56 0.00 -0.54 -4.89 105.19 101.62 1wsh n GLY 18 Ca 0.07 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 1wsh n GLY 18 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1wsh s PRO 19 N -2.01 4.15 0.32 1.61 0.02 -1.17 -1.11 135.00 136.81 1wsh s PRO 19 Ca 0.24 2.51 -0.13 0.00 0.02 0.00 0.00 61.00 63.64 1wsh s PRO 19 Cb -0.01 -2.99 0.02 0.00 0.02 0.00 0.00 34.50 31.54 1wsh s PRO 19 CO -0.00 -0.48 0.63 0.20 -0.33 0.00 0.00 177.00 177.01 1wsh s GLY 20 N -0.13 0.58 0.25 0.52 0.00 -0.58 -0.47 107.32 107.49 1wsh s GLY 20 Ca 0.53 -0.88 -0.22 0.00 0.00 0.00 0.00 44.72 44.16 1wsh s GLY 20 CO 0.60 -0.51 0.71 -0.32 0.00 0.00 0.00 173.10 173.58 1wsh s GLY 21 N -3.07 -0.19 0.25 0.20 0.00 0.21 -0.13 107.32 104.59 1wsh s GLY 21 Ca 0.20 -0.14 0.10 0.00 0.00 0.00 0.00 44.72 44.87 1wsh s GLY 21 CO 0.12 -0.04 -0.16 -2.52 0.00 0.00 0.00 173.10 170.50 1wsh s TYR 22 N -3.86 2.03 -0.04 1.90 -0.85 -1.02 -0.75 117.35 114.75 1wsh s TYR 22 Ca 0.09 -0.47 -0.05 0.00 -0.52 0.00 0.00 57.07 56.12 1wsh s TYR 22 Cb -0.05 -0.93 0.01 0.00 0.38 0.00 0.00 41.96 41.37 1wsh s TYR 22 CO 0.03 0.53 0.13 0.20 -1.52 0.00 0.00 175.55 174.92 1wsh s GLY 23 N -3.43 -0.05 -0.14 5.49 0.00 -0.15 -3.25 107.32 105.80 1wsh s GLY 23 Ca 0.27 0.21 -0.21 0.00 0.00 0.00 0.00 44.72 44.99 1wsh s GLY 23 CO 0.11 0.14 0.54 0.00 0.00 0.00 0.00 173.10 173.89 1wsh s ALA 24 N -0.38 -1.35 -0.09 3.20 0.00 0.04 -1.43 121.76 121.75 1wsh s ALA 24 Ca -0.05 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.23 1wsh s ALA 24 Cb -0.03 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.57 1wsh s ALA 24 CO 0.00 -0.28 -0.17 0.42 0.00 0.00 0.00 175.76 175.73 1wsh s ILE 25 N -0.32 1.54 -0.19 0.00 1.01 -0.02 -0.50 121.20 122.71 1wsh s ILE 25 Ca -0.05 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 1wsh s ILE 25 Cb -0.03 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 41.07 1wsh s ILE 25 CO 0.03 0.45 -0.14 -0.22 0.00 0.00 0.00 174.94 175.06 1wsh s LEU 26 N 0.65 2.41 -0.03 2.97 2.96 0.74 -1.22 118.68 127.16 1wsh s LEU 26 Ca -0.14 -0.55 0.04 0.00 -0.22 0.00 0.00 54.13 53.26 1wsh s LEU 26 Cb -0.16 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 1wsh s LEU 26 CO 0.04 -0.00 -0.14 0.00 -1.32 0.00 0.00 176.35 174.92 1wsh s ARG 27 N 1.34 1.34 -0.21 1.98 1.70 -0.15 -0.20 118.95 124.73 1wsh s ARG 27 Ca 0.05 -0.50 0.00 0.00 -0.47 0.00 0.00 55.73 54.81 1wsh s ARG 27 Cb -0.14 -1.23 0.05 0.00 -0.57 0.00 0.00 34.95 33.07 1wsh s ARG 27 CO -0.09 0.25 -0.06 -0.47 -1.08 0.00 0.00 175.30 173.84 1wsh s TYR 28 N -0.09 2.26 -0.08 5.89 6.04 -0.74 -1.70 117.35 128.93 1wsh s TYR 28 Ca 0.00 -1.59 -0.04 0.00 0.04 0.00 0.00 57.07 55.49 1wsh s TYR 28 Cb -0.08 -1.54 0.01 0.00 -1.04 0.00 0.00 41.96 39.30 1wsh s TYR 28 CO 0.01 -0.74 0.09 2.89 -1.54 0.00 0.00 175.55 176.26 1wsh n ARG 29 N 4.72 -0.26 0.00 4.97 1.85 -1.26 -2.36 116.66 124.32 1wsh n ARG 29 Ca -0.13 0.17 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 1wsh n ARG 29 Cb 0.45 -0.30 0.00 0.00 -1.05 0.00 0.00 32.46 31.56 1wsh n ARG 29 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wsh n GLY 30 N -0.24 1.96 3.77 2.89 0.00 -1.26 -5.04 105.19 107.27 1wsh n GLY 30 Ca -0.02 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 1wsh n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wsh s ARG 31 N 0.00 3.85 0.13 1.61 3.00 -0.99 -5.03 118.95 121.52 1wsh s ARG 31 Ca 0.00 2.50 0.11 0.00 0.00 0.00 0.00 55.73 58.34 1wsh s ARG 31 Cb 0.00 -2.78 -0.04 0.00 0.00 0.00 0.00 34.95 32.13 1wsh s ARG 31 CO 0.00 -0.72 -0.26 -1.21 0.00 0.00 0.00 175.30 173.11 1wsh s GLU 32 N -2.32 1.37 -0.06 3.54 2.02 -1.26 -1.79 118.70 120.20 1wsh s GLU 32 Ca 0.58 -1.34 0.01 0.00 0.02 0.00 0.00 54.97 54.24 1wsh s GLU 32 Cb -0.45 -1.83 0.02 0.00 0.10 0.00 0.00 34.13 31.97 1wsh s GLU 32 CO 0.60 0.43 -0.08 0.15 0.02 0.00 0.00 175.26 176.38 1wsh s LYS 33 N -2.09 1.22 0.04 1.61 1.02 0.72 -4.98 119.74 117.27 1wsh s LYS 33 Ca 0.14 -0.23 0.04 0.00 0.02 0.00 0.00 55.97 55.93 1wsh s LYS 33 Cb -0.10 -1.11 -0.04 0.00 -0.52 0.00 0.00 37.83 36.06 1wsh s LYS 33 CO 0.06 -0.05 -0.04 0.99 -0.92 0.00 0.00 175.35 175.39 1wsh s THR 34 N 0.88 3.80 -0.01 2.17 2.01 -1.26 -0.18 115.64 123.05 1wsh s THR 34 Ca -0.11 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.03 1wsh s THR 34 Cb -0.15 -2.72 0.01 0.00 0.01 0.00 0.00 72.50 69.64 1wsh s THR 34 CO 0.01 0.28 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.81 1wsh s PHE 35 N -1.13 0.47 -0.15 4.92 0.08 0.34 -5.00 117.98 117.52 1wsh s PHE 35 Ca 0.20 -0.09 -0.30 0.00 0.12 0.00 0.00 56.93 56.86 1wsh s PHE 35 Cb -0.11 -0.37 0.12 0.00 -0.57 0.00 0.00 43.02 42.09 1wsh s PHE 35 CO 0.12 -0.05 0.97 -1.54 -0.10 0.00 0.00 175.22 174.62 1wsh s SER 36 N 0.22 -0.39 -0.15 1.36 1.04 -1.26 -0.78 113.70 113.73 1wsh s SER 36 Ca -0.02 0.43 -0.29 0.00 0.48 0.00 0.00 55.95 56.55 1wsh s SER 36 Cb -0.06 0.32 0.09 0.00 0.10 0.00 0.00 66.02 66.47 1wsh s SER 36 CO -0.00 -0.36 0.78 0.00 0.98 0.00 0.00 173.24 174.64 1wsh s ALA 37 N -1.12 -1.82 -0.00 5.32 0.00 -1.20 -5.00 121.76 117.94 1wsh s ALA 37 Ca -0.02 1.61 0.04 0.00 0.00 0.00 0.00 51.96 53.59 1wsh s ALA 37 Cb -0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1wsh s ALA 37 CO 0.02 -0.34 -0.11 0.20 0.00 0.00 0.00 175.76 175.53 1wsh s GLY 38 N -0.60 1.66 0.03 0.00 0.00 -1.26 -2.45 107.32 104.70 1wsh s GLY 38 Ca -0.05 -1.05 0.08 0.00 0.00 0.00 0.00 44.72 43.71 1wsh s GLY 38 CO 0.04 -0.89 -0.25 -0.19 0.00 0.00 0.00 173.10 171.81 1wsh s TYR 39 N -0.91 2.17 0.29 1.90 1.51 0.82 -1.13 117.35 121.99 1wsh s TYR 39 Ca 0.15 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 55.88 1wsh s TYR 39 Cb -0.11 -1.31 0.43 0.00 -0.11 0.00 0.00 41.96 40.85 1wsh s TYR 39 CO 0.05 0.09 1.67 1.79 -1.11 0.00 0.00 175.55 178.04 1wsh h THR 40 N 4.31 1.34 -2.17 -0.71 1.35 -1.48 -1.54 112.91 114.00 1wsh h THR 40 Ca -0.45 -1.66 -0.25 0.00 -0.55 0.00 0.00 66.41 63.50 1wsh h THR 40 Cb 1.14 1.80 -0.33 0.00 -1.73 0.00 0.00 68.15 69.04 1wsh h THR 40 CO 0.44 0.49 -0.57 -0.60 -0.25 0.00 0.00 175.52 175.03 1wsh s ARG 41 N -4.01 0.29 0.00 4.72 3.52 -1.26 -3.06 118.95 119.15 1wsh s ARG 41 Ca -0.04 0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 1wsh s ARG 41 Cb 0.13 -0.79 0.00 0.00 -1.56 0.00 0.00 34.95 32.73 1wsh s ARG 41 CO 0.77 -0.75 0.00 -2.37 -0.81 0.00 0.00 175.30 172.15 1wsh n THR 42 N 5.34 0.00 -4.23 4.11 5.66 -0.26 -4.35 114.28 120.54 1wsh n THR 42 Ca -0.04 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.83 1wsh n THR 42 Cb 0.49 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 1wsh n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wsh s THR 43 N -2.59 0.94 0.20 1.09 -4.23 -1.26 -1.47 115.64 108.32 1wsh s THR 43 Ca 0.00 -2.01 -0.10 0.00 -1.18 0.00 0.00 61.69 58.40 1wsh s THR 43 Cb 0.00 -1.87 0.14 0.00 1.34 0.00 0.00 72.50 72.11 1wsh s THR 43 CO 0.00 -0.72 1.84 -1.13 -0.54 0.00 0.00 174.62 174.06 1wsh h ASN 44 N 2.81 0.89 -0.47 3.99 -1.24 -1.85 -1.98 115.58 117.71 1wsh h ASN 44 Ca -0.36 -0.07 0.03 0.00 0.71 0.00 0.00 56.30 56.61 1wsh h ASN 44 Cb 1.19 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 39.98 1wsh h ASN 44 CO 0.64 0.70 0.26 0.78 -1.29 0.00 0.00 177.43 178.51 1wsh h ASN 45 N 1.00 0.39 -0.55 1.15 -0.26 -1.96 -0.68 115.58 114.66 1wsh h ASN 45 Ca 0.26 0.02 -0.11 0.00 -0.56 0.00 0.00 56.30 55.91 1wsh h ASN 45 Cb -0.01 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.17 1wsh h ASN 45 CO -0.05 0.28 -0.08 0.03 -1.06 0.00 0.00 177.43 176.55 1wsh h ARG 46 N 0.51 1.04 -0.41 0.81 3.08 -1.91 -2.63 114.38 114.86 1wsh h ARG 46 Ca 0.20 -0.37 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 1wsh h ARG 46 Cb 0.07 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1wsh h ARG 46 CO -0.12 1.06 -0.04 0.52 -1.07 0.00 0.00 179.97 180.33 1wsh h MET 47 N 0.93 0.69 -0.78 0.04 2.86 -1.05 0.31 114.93 117.94 1wsh h MET 47 Ca 0.15 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1wsh h MET 47 Cb 0.65 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 1wsh h MET 47 CO 0.04 0.73 0.35 0.00 1.06 0.00 0.00 176.91 179.10 1wsh h ALA 48 N 1.31 1.01 -0.23 6.32 0.00 -0.94 -1.33 119.26 125.40 1wsh h ALA 48 Ca 0.12 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1wsh h ALA 48 Cb 0.46 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1wsh h ALA 48 CO 0.02 0.59 -0.25 -0.07 0.00 0.00 0.00 179.25 179.55 1wsh h LEU 49 N 1.11 0.62 -0.89 0.00 3.38 -1.10 -3.21 115.31 115.22 1wsh h LEU 49 Ca 0.26 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.80 1wsh h LEU 49 Cb 0.16 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1wsh h LEU 49 CO -0.03 0.97 0.57 -0.03 0.09 0.00 0.00 178.44 180.01 1wsh h MET 50 N 0.27 1.04 -0.63 1.13 4.05 -0.65 -0.87 114.93 119.27 1wsh h MET 50 Ca 0.04 -0.06 0.06 0.00 -0.28 0.00 0.00 59.70 59.45 1wsh h MET 50 Cb 0.80 -0.24 -0.05 0.00 -0.80 0.00 0.00 31.60 31.32 1wsh h MET 50 CO 0.06 0.69 0.34 0.00 0.23 0.00 0.00 176.91 178.23 1wsh h ALA 51 N 1.39 0.84 -0.16 0.39 0.00 -1.25 -0.15 119.26 120.32 1wsh h ALA 51 Ca 0.37 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.21 1wsh h ALA 51 Cb 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1wsh h ALA 51 CO -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 179.25 178.85 1wsh h ALA 52 N 1.34 0.24 -0.09 0.00 0.00 -1.46 -2.95 119.26 116.34 1wsh h ALA 52 Ca 0.29 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1wsh h ALA 52 Cb 0.19 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1wsh h ALA 52 CO -0.19 0.23 -0.13 0.82 0.00 0.00 0.00 179.25 179.98 1wsh h ILE 53 N 0.07 0.65 -0.49 0.00 2.04 -0.81 -1.07 117.51 117.90 1wsh h ILE 53 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 1wsh h ILE 53 Cb 0.84 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1wsh h ILE 53 CO 0.06 0.00 0.30 0.58 0.00 0.00 0.00 178.15 179.09 1wsh h VAL 54 N -0.18 1.15 -0.11 1.67 2.07 -1.10 -0.40 116.25 119.34 1wsh h VAL 54 Ca 0.08 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1wsh h VAL 54 Cb 0.29 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1wsh h VAL 54 CO -0.19 0.15 0.05 0.00 0.02 0.00 0.00 177.57 177.60 1wsh h ALA 55 N 1.14 0.15 -0.71 1.67 0.00 -1.34 -2.61 119.26 117.56 1wsh h ALA 55 Ca 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1wsh h ALA 55 Cb -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1wsh h ALA 55 CO -0.03 -0.28 0.35 -0.07 0.00 0.00 0.00 179.25 179.22 1wsh h LEU 56 N 0.04 0.92 -0.63 0.00 3.38 -1.05 -2.28 115.31 115.69 1wsh h LEU 56 Ca 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1wsh h LEU 56 Cb 0.14 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1wsh h LEU 56 CO -0.00 0.78 0.00 -0.62 0.09 0.00 0.00 178.44 178.69 1wsh n GLU 57 N -4.44 0.14 0.20 1.13 1.02 -0.17 -2.20 120.64 116.32 1wsh n GLU 57 Ca 0.06 0.42 0.13 0.00 -0.02 0.00 0.00 57.16 57.75 1wsh n GLU 57 Cb 0.12 -1.80 0.35 0.00 -0.02 0.00 0.00 31.44 30.09 1wsh n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wsh h ALA 58 N 2.27 1.00 -2.65 0.62 0.00 -1.02 -3.45 119.26 116.03 1wsh h ALA 58 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1wsh h ALA 58 Cb 0.28 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.09 1wsh h ALA 58 CO 0.00 0.00 0.58 -0.51 0.00 0.00 0.00 179.25 179.32 1wsh s LEU 59 N -5.66 4.43 -0.05 0.00 1.43 -0.93 -4.94 118.68 112.96 1wsh s LEU 59 Ca 0.07 2.26 0.18 0.00 -1.03 0.00 0.00 54.13 55.60 1wsh s LEU 59 Cb 0.08 -3.61 0.57 0.00 0.03 0.00 0.00 46.19 43.26 1wsh s LEU 59 CO 0.61 -0.42 1.48 0.29 0.23 0.00 0.00 176.35 178.54 1wsh n LYS 60 N 2.64 3.11 -3.50 1.70 5.02 -1.26 -4.97 118.16 120.90 1wsh n LYS 60 Ca 0.05 -2.59 -0.11 0.00 -2.02 0.00 0.00 58.31 53.64 1wsh n LYS 60 Cb 0.44 -1.61 -0.02 0.00 -0.02 0.00 0.00 35.03 33.82 1wsh n LYS 60 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1wsh s GLU 61 N -1.41 1.37 0.13 1.97 -1.05 -1.26 -5.13 118.70 113.32 1wsh s GLU 61 Ca 0.42 -0.57 -0.31 0.00 -0.15 0.00 0.00 54.97 54.36 1wsh s GLU 61 Cb 0.25 0.59 -0.09 0.00 -0.44 0.00 0.00 34.13 34.44 1wsh s GLU 61 CO 0.24 -0.60 1.57 -1.01 0.95 0.00 0.00 175.26 176.41 1wsh s HIS 62 N -3.78 2.92 0.22 4.83 3.76 -1.26 -4.99 115.29 116.97 1wsh s HIS 62 Ca 0.03 0.58 0.04 0.00 -0.15 0.00 0.00 55.06 55.56 1wsh s HIS 62 Cb -0.02 -3.91 -0.05 0.00 1.11 0.00 0.00 32.58 29.71 1wsh s HIS 62 CO -0.09 -3.43 -0.03 0.00 -0.85 0.00 0.00 174.74 170.33 1wsh s GLU 64 N -3.82 3.66 -0.12 0.00 2.12 0.56 -0.90 118.70 120.20 1wsh s GLU 64 Ca 0.26 -0.50 0.01 0.00 0.36 0.00 0.00 54.97 55.10 1wsh s GLU 64 Cb 0.05 -3.76 -0.01 0.00 0.26 0.00 0.00 34.13 30.67 1wsh s GLU 64 CO 0.07 -0.36 -0.16 0.08 -0.54 0.00 0.00 175.26 174.34 1wsh s VAL 65 N 1.77 2.75 -0.50 3.70 1.01 0.74 -1.23 120.40 128.65 1wsh s VAL 65 Ca 0.07 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 1wsh s VAL 65 Cb -0.17 -2.13 0.09 0.00 0.00 0.00 0.00 36.38 34.18 1wsh s VAL 65 CO 0.11 0.54 0.43 -0.63 0.00 0.00 0.00 175.10 175.55 1wsh s ILE 66 N 0.31 5.22 -0.39 2.22 -1.09 -0.72 0.07 121.20 126.83 1wsh s ILE 66 Ca -0.13 -1.20 -0.16 0.00 -2.23 0.00 0.00 60.65 56.94 1wsh s ILE 66 Cb -0.16 -4.20 0.01 0.00 -1.58 0.00 0.00 42.46 36.52 1wsh s ILE 66 CO 0.07 -0.68 0.36 -0.22 -1.23 0.00 0.00 174.94 173.24 1wsh s LEU 67 N 1.65 4.76 -0.21 2.97 0.20 -0.13 -1.17 118.68 126.75 1wsh s LEU 67 Ca 0.04 -0.57 -0.08 0.00 0.69 0.00 0.00 54.13 54.20 1wsh s LEU 67 Cb -0.26 -2.29 -0.04 0.00 -0.43 0.00 0.00 46.19 43.16 1wsh s LEU 67 CO 0.06 -0.44 0.09 -0.55 -0.29 0.00 0.00 176.35 175.22 1wsh s SER 68 N 1.75 5.77 -0.07 3.68 0.15 0.12 -0.47 113.70 124.63 1wsh s SER 68 Ca 0.10 0.08 -0.21 0.00 0.70 0.00 0.00 55.95 56.61 1wsh s SER 68 Cb -0.17 -2.01 0.05 0.00 -1.71 0.00 0.00 66.02 62.17 1wsh s SER 68 CO 0.12 0.13 0.49 0.28 1.20 0.00 0.00 173.24 175.46 1wsh s THR 69 N 0.66 0.02 -1.21 6.45 -1.32 -0.93 -1.46 115.64 117.85 1wsh s THR 69 Ca 0.05 -0.20 0.13 0.00 -1.21 0.00 0.00 61.69 60.47 1wsh s THR 69 Cb -0.13 -0.78 0.34 0.00 -1.51 0.00 0.00 72.50 70.42 1wsh s THR 69 CO 0.01 -0.11 1.26 -0.90 -2.21 0.00 0.00 174.62 172.68 1wsh n ASP 70 N 1.47 3.01 -4.66 8.08 5.75 -1.26 -0.77 116.55 128.17 1wsh n ASP 70 Ca -0.19 -1.94 -0.42 0.00 -0.01 0.00 0.00 54.79 52.22 1wsh n ASP 70 Cb 0.56 -0.25 -0.03 0.00 -1.03 0.00 0.00 41.12 40.38 1wsh n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1wsh s SER 71 N -1.02 6.77 0.24 -1.12 0.15 -1.26 -4.86 113.70 112.59 1wsh s SER 71 Ca 0.27 2.03 0.00 0.00 0.70 0.00 0.00 55.95 58.95 1wsh s SER 71 Cb 0.14 -2.53 0.26 0.00 -1.71 0.00 0.00 66.02 62.18 1wsh s SER 71 CO 0.19 -0.87 1.61 -0.61 1.20 0.00 0.00 173.24 174.76 1wsh h GLN 72 N 9.06 0.50 -0.24 5.44 4.15 -1.94 -2.27 115.11 129.81 1wsh h GLN 72 Ca -0.35 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 58.81 1wsh h GLN 72 Cb 1.15 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 1wsh h GLN 72 CO 0.96 0.82 0.11 -0.92 -1.93 0.00 0.00 178.83 177.87 1wsh h TYR 73 N 0.41 0.35 -0.37 3.99 3.20 -1.98 -0.06 116.97 122.51 1wsh h TYR 73 Ca 0.04 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 1wsh h TYR 73 Cb 0.89 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 1wsh h TYR 73 CO 0.03 0.35 -0.11 0.28 -1.64 0.00 0.00 178.16 177.07 1wsh h VAL 74 N 0.25 1.28 -0.10 1.81 2.07 -1.92 -1.24 116.25 118.41 1wsh h VAL 74 Ca 0.08 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.41 1wsh h VAL 74 Cb 0.13 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1wsh h VAL 74 CO -0.01 0.40 0.01 -0.09 0.02 0.00 0.00 177.57 177.90 1wsh h ARG 75 N 0.53 0.05 -0.61 1.57 2.43 -1.28 0.68 114.38 117.74 1wsh h ARG 75 Ca 0.09 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1wsh h ARG 75 Cb 0.64 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 1wsh h ARG 75 CO 0.04 0.03 0.25 1.96 -1.51 0.00 0.00 179.97 180.75 1wsh h GLN 76 N 0.05 0.91 -0.40 0.20 4.20 -0.97 0.15 115.11 119.26 1wsh h GLN 76 Ca 0.04 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1wsh h GLN 76 Cb 0.04 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1wsh h GLN 76 CO -0.06 0.76 0.22 0.78 -0.67 0.00 0.00 178.83 179.86 1wsh h GLY 77 N 0.85 0.59 0.55 3.46 0.00 -0.93 0.85 103.07 108.44 1wsh h GLY 77 Ca 0.21 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1wsh h GLY 77 CO -0.02 0.26 -0.01 -2.22 0.00 0.00 0.00 176.54 174.55 1wsh h ILE 78 N 0.51 1.30 0.00 2.60 1.08 -0.67 0.14 117.51 122.47 1wsh h ILE 78 Ca 0.14 -1.03 0.00 0.00 -0.39 0.00 0.00 64.86 63.58 1wsh h ILE 78 Cb 0.06 1.99 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 1wsh h ILE 78 CO -0.02 0.26 0.00 0.35 -0.69 0.00 0.00 178.15 178.05 1wsh n THR 79 N -4.89 0.16 -0.00 -0.27 -2.24 0.50 -4.22 114.28 103.31 1wsh n THR 79 Ca -0.08 0.04 -0.01 0.00 -2.27 0.00 0.00 64.05 61.73 1wsh n THR 79 Cb 0.24 -0.59 -0.00 0.00 -2.10 0.00 0.00 70.33 67.88 1wsh n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wsh n GLN 80 N -1.42 0.01 0.00 -0.78 6.02 0.29 -5.01 117.38 116.50 1wsh n GLN 80 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1wsh n GLN 80 Cb 0.27 -0.66 0.00 0.00 1.02 0.00 0.00 30.24 30.87 1wsh n GLN 80 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1wsh n TRP 81 N -2.88 0.00 -0.31 1.08 8.01 -0.64 -4.81 117.44 117.89 1wsh n TRP 81 Ca -0.01 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.28 1wsh n TRP 81 Cb 0.51 0.00 0.27 0.00 -2.01 0.00 0.00 31.31 30.07 1wsh n TRP 81 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 1wsh h ILE 82 N 0.00 0.68 -0.24 -0.99 6.09 -0.94 0.48 117.51 122.59 1wsh h ILE 82 Ca 0.00 -0.22 -0.01 0.00 -1.37 0.00 0.00 64.86 63.26 1wsh h ILE 82 Cb 0.00 -0.00 -0.01 0.00 0.47 0.00 0.00 36.82 37.28 1wsh h ILE 82 CO 0.00 0.12 0.11 -0.74 -3.07 0.00 0.00 178.15 174.56 1wsh h HIS 83 N 0.63 0.36 -0.46 2.19 2.76 -1.86 -2.45 115.15 116.34 1wsh h HIS 83 Ca 0.51 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.63 1wsh h HIS 83 Cb 0.79 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.62 1wsh h HIS 83 CO -0.07 0.37 0.15 -0.91 -1.30 0.00 0.00 177.93 176.17 1wsh h ASN 84 N 0.25 0.65 0.04 3.26 2.35 -1.61 -2.17 115.58 118.35 1wsh h ASN 84 Ca 0.08 -0.19 0.03 0.00 -0.55 0.00 0.00 56.30 55.66 1wsh h ASN 84 Cb 0.15 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 1wsh h ASN 84 CO -0.01 0.67 -0.25 -0.50 -1.65 0.00 0.00 177.43 175.70 1wsh h TRP 85 N 0.60 -0.67 -0.48 1.19 6.55 -0.84 -0.69 115.95 121.60 1wsh h TRP 85 Ca 0.15 0.02 0.08 0.00 0.95 0.00 0.00 58.89 60.09 1wsh h TRP 85 Cb 0.24 0.29 -0.07 0.00 -0.86 0.00 0.00 29.16 28.77 1wsh h TRP 85 CO 0.01 -0.34 0.09 -0.22 -1.05 0.00 0.00 178.44 176.93 1wsh h LYS 86 N -0.41 0.22 0.00 0.49 3.64 -1.36 0.28 116.57 119.43 1wsh h LYS 86 Ca 0.05 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1wsh h LYS 86 Cb 0.47 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1wsh h LYS 86 CO -0.19 0.15 -0.09 0.00 -2.27 0.00 0.00 179.45 177.04 1wsh h ALA 87 N 1.37 1.52 -0.59 5.00 0.00 -0.87 -2.35 119.26 123.35 1wsh h ALA 87 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1wsh h ALA 87 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1wsh h ALA 87 CO -0.31 0.12 0.00 0.54 0.00 0.00 0.00 179.25 179.59 1wsh n ARG 88 N -3.96 4.43 -2.54 0.00 1.74 -0.31 -4.92 116.66 111.10 1wsh n ARG 88 Ca -0.02 -2.98 -0.16 0.00 -0.77 0.00 0.00 57.85 53.92 1wsh n ARG 88 Cb 0.18 -2.13 0.01 0.00 -1.02 0.00 0.00 32.46 29.50 1wsh n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wsh n GLY 89 N 0.79 -0.23 3.73 -0.13 0.00 -0.88 -3.01 105.19 105.46 1wsh n GLY 89 Ca 0.26 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1wsh n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wsh n TRP 90 N -4.09 -2.43 -4.40 1.61 7.02 0.85 -5.00 117.44 110.99 1wsh n TRP 90 Ca -0.13 0.94 -0.21 0.00 -1.02 0.00 0.00 57.50 57.07 1wsh n TRP 90 Cb 0.61 -4.50 -0.10 0.00 -2.42 0.00 0.00 31.31 24.90 1wsh n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1wsh s LYS 91 N -6.31 1.48 0.69 -0.99 3.01 -1.16 -2.72 119.74 113.73 1wsh s LYS 91 Ca 0.48 -1.66 -0.07 0.00 -1.01 0.00 0.00 55.97 53.71 1wsh s LYS 91 Cb -0.23 -1.41 0.15 0.00 -1.01 0.00 0.00 37.83 35.33 1wsh s LYS 91 CO 0.79 0.25 0.94 0.25 0.51 0.00 0.00 175.35 178.08 1wsh n THR 92 N -0.45 0.00 -0.10 2.17 -2.24 0.23 -4.78 114.28 109.12 1wsh n THR 92 Ca -0.07 -1.03 -0.06 0.00 -2.27 0.00 0.00 64.05 60.62 1wsh n THR 92 Cb 0.60 -1.29 0.01 0.00 -2.10 0.00 0.00 70.33 67.55 1wsh n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wsh h ALA 93 N -1.20 0.31 -0.43 6.98 0.00 -2.00 -1.94 119.26 120.99 1wsh h ALA 93 Ca -0.31 0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.43 1wsh h ALA 93 Cb 0.97 0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.78 1wsh h ALA 93 CO 0.27 -0.39 0.34 -0.40 0.00 0.00 0.00 179.25 179.07 1wsh n ASP 94 N -5.16 5.34 -3.80 0.00 3.85 -1.26 -4.87 116.55 110.65 1wsh n ASP 94 Ca 0.01 -2.89 -0.24 0.00 -0.71 0.00 0.00 54.79 50.96 1wsh n ASP 94 Cb 0.17 -0.92 0.02 0.00 -1.35 0.00 0.00 41.12 39.03 1wsh n ASP 94 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1wsh n LYS 95 N 0.24 -4.56 -4.76 0.11 4.76 -0.73 -5.02 118.16 108.21 1wsh n LYS 95 Ca 0.26 0.56 -0.30 0.00 -2.87 0.00 0.00 58.31 55.97 1wsh n LYS 95 Cb 0.71 -5.06 -0.14 0.00 -1.84 0.00 0.00 35.03 28.71 1wsh n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1wsh s LYS 96 N -6.22 1.67 0.25 1.97 1.02 -1.26 -4.81 119.74 112.37 1wsh s LYS 96 Ca 0.10 -1.17 -0.31 0.00 0.02 0.00 0.00 55.97 54.61 1wsh s LYS 96 Cb -0.05 -1.94 -0.13 0.00 -0.52 0.00 0.00 37.83 35.20 1wsh s LYS 96 CO 0.84 0.49 1.50 -2.30 -0.92 0.00 0.00 175.35 174.96 1wsh n PRO 97 N 1.54 2.32 -1.55 -1.68 -0.02 -1.26 0.77 135.00 135.12 1wsh n PRO 97 Ca -0.17 0.83 -0.33 0.00 -2.02 0.00 0.00 63.50 61.80 1wsh n PRO 97 Cb 0.52 -2.55 0.07 0.00 -0.02 0.00 0.00 33.50 31.53 1wsh n PRO 97 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1wsh s VAL 98 N 0.10 2.87 0.42 -1.45 -7.23 -1.10 -4.76 120.40 109.25 1wsh s VAL 98 Ca 0.68 0.39 -0.26 0.00 -1.81 0.00 0.00 61.98 60.98 1wsh s VAL 98 Cb -0.59 -2.90 -0.09 0.00 0.56 0.00 0.00 36.38 33.37 1wsh s VAL 98 CO 0.47 -0.26 1.37 -0.75 -0.31 0.00 0.00 175.10 175.63 1wsh s LYS 99 N -4.13 3.89 -1.43 4.82 2.20 -1.26 -2.39 119.74 121.44 1wsh s LYS 99 Ca 0.69 2.31 -0.04 0.00 -0.36 0.00 0.00 55.97 58.57 1wsh s LYS 99 Cb -0.23 -2.75 0.02 0.00 -1.51 0.00 0.00 37.83 33.35 1wsh s LYS 99 CO 0.45 -0.62 0.32 0.09 -0.36 0.00 0.00 175.35 175.24 1wsh n ASN 100 N 0.07 -5.03 -0.30 1.43 3.02 -1.26 -4.87 115.26 108.31 1wsh n ASN 100 Ca 0.04 -0.15 0.08 0.00 -0.03 0.00 0.00 54.58 54.52 1wsh n ASN 100 Cb 0.42 -4.15 0.29 0.00 -0.61 0.00 0.00 39.78 35.74 1wsh n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1wsh h VAL 101 N -0.71 0.94 -0.55 2.41 3.04 -1.84 -1.21 116.25 118.33 1wsh h VAL 101 Ca -0.45 -0.30 0.06 0.00 -1.01 0.00 0.00 66.70 65.00 1wsh h VAL 101 Cb 1.31 -0.03 -0.06 0.00 -2.01 0.00 0.00 31.29 30.51 1wsh h VAL 101 CO 0.51 0.16 0.24 -2.24 -1.01 0.00 0.00 177.57 175.24 1wsh h ASP 102 N 0.89 0.31 0.06 3.17 2.03 -1.89 -0.43 116.42 120.56 1wsh h ASP 102 Ca 0.44 0.05 -0.24 0.00 -0.73 0.00 0.00 57.03 56.55 1wsh h ASP 102 Cb 0.47 -0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.00 1wsh h ASP 102 CO -0.20 0.21 -0.98 -0.07 -1.03 0.00 0.00 179.24 177.17 1wsh h LEU 103 N 0.46 0.75 -1.04 0.15 3.38 -1.77 -2.77 115.31 114.48 1wsh h LEU 103 Ca 0.26 -0.80 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1wsh h LEU 103 Cb 0.23 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1wsh h LEU 103 CO -0.22 1.47 0.49 -0.50 0.09 0.00 0.00 178.44 179.77 1wsh h TRP 104 N 0.13 1.13 -0.62 1.13 4.06 -1.10 0.19 115.95 120.86 1wsh h TRP 104 Ca -0.14 -0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.72 1wsh h TRP 104 Cb 1.67 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 29.44 1wsh h TRP 104 CO 0.13 0.76 0.08 1.96 -3.56 0.00 0.00 178.44 177.82 1wsh h GLN 105 N 1.17 1.04 -0.36 0.49 4.20 -1.14 0.13 115.11 120.64 1wsh h GLN 105 Ca 0.30 -0.29 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 1wsh h GLN 105 Cb -0.02 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1wsh h GLN 105 CO -0.05 0.98 -0.20 0.00 -0.67 0.00 0.00 178.83 178.88 1wsh h ARG 106 N 0.94 0.68 -0.23 1.46 3.08 -1.10 -1.76 114.38 117.45 1wsh h ARG 106 Ca 0.19 -0.26 -0.16 0.00 0.07 0.00 0.00 59.98 59.82 1wsh h ARG 106 Cb 0.45 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1wsh h ARG 106 CO 0.02 0.83 -0.52 1.25 -1.07 0.00 0.00 179.97 180.48 1wsh h LEU 107 N 0.60 0.74 -0.88 3.04 5.85 -0.33 -1.99 115.31 122.35 1wsh h LEU 107 Ca 0.09 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.36 1wsh h LEU 107 Cb 0.68 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1wsh h LEU 107 CO 0.05 1.12 0.11 -0.78 -0.34 0.00 0.00 178.44 178.60 1wsh h ASP 108 N 0.52 0.89 -0.13 1.25 1.82 -0.55 -0.11 116.42 120.12 1wsh h ASP 108 Ca 0.02 -0.19 -0.03 0.00 -0.39 0.00 0.00 57.03 56.44 1wsh h ASP 108 Cb 1.08 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.85 1wsh h ASP 108 CO 0.11 0.89 -0.06 0.00 -1.61 0.00 0.00 179.24 178.56 1wsh h ALA 109 N 1.22 0.18 -0.70 -0.78 0.00 -1.22 -1.80 119.26 116.16 1wsh h ALA 109 Ca 0.19 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wsh h ALA 109 Cb 0.37 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1wsh h ALA 109 CO 0.01 -0.04 0.42 0.00 0.00 0.00 0.00 179.25 179.63 1wsh h ALA 110 N 0.66 1.42 -0.37 0.00 0.00 -1.21 -2.42 119.26 117.34 1wsh h ALA 110 Ca 0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1wsh h ALA 110 Cb 0.52 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wsh h ALA 110 CO 0.02 0.50 0.01 -0.07 0.00 0.00 0.00 179.25 179.71 1wsh h LEU 111 N 0.97 0.63 0.00 0.00 3.38 -0.90 -2.71 115.31 116.68 1wsh h LEU 111 Ca 0.25 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1wsh h LEU 111 Cb -0.03 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1wsh h LEU 111 CO -0.05 0.78 0.00 0.61 0.09 0.00 0.00 178.44 179.87 1wsh n GLY 112 N -0.37 -0.53 0.15 0.83 0.00 -0.69 -1.20 105.19 103.37 1wsh n GLY 112 Ca -0.01 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1wsh n GLY 112 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wsh h GLN 113 N 0.00 0.00 -5.05 1.61 1.08 -1.38 -3.48 115.11 107.89 1wsh h GLN 113 Ca 0.00 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.75 1wsh h GLN 113 Cb 0.02 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.32 1wsh h GLN 113 CO 0.00 0.04 -0.59 -1.01 -0.95 0.00 0.00 178.83 176.33 1wsh s HIS 114 N -3.27 1.76 -0.58 2.96 3.76 -0.34 -4.35 115.29 115.22 1wsh s HIS 114 Ca 0.02 -1.13 -0.17 0.00 -0.15 0.00 0.00 55.06 53.63 1wsh s HIS 114 Cb 0.08 -1.10 0.12 0.00 1.11 0.00 0.00 32.58 32.79 1wsh s HIS 114 CO 0.75 -0.21 0.61 -0.65 -0.85 0.00 0.00 174.74 174.40 1wsh s GLN 115 N -3.89 3.05 -0.09 1.40 -1.52 -0.07 -4.95 119.66 113.59 1wsh s GLN 115 Ca 0.34 -1.58 -0.15 0.00 -1.95 0.00 0.00 55.36 52.03 1wsh s GLN 115 Cb 0.07 -4.30 -0.05 0.00 -0.22 0.00 0.00 33.01 28.51 1wsh s GLN 115 CO 0.15 -1.43 0.37 0.42 -0.25 0.00 0.00 175.29 174.55 1wsh s ILE 116 N 2.03 5.19 -0.24 1.08 -1.09 -1.26 -0.19 121.20 126.72 1wsh s ILE 116 Ca 0.08 0.73 0.02 0.00 -2.23 0.00 0.00 60.65 59.25 1wsh s ILE 116 Cb -0.26 -3.69 0.06 0.00 -1.58 0.00 0.00 42.46 36.98 1wsh s ILE 116 CO 0.04 0.46 -0.09 -0.54 -1.23 0.00 0.00 174.94 173.58 1wsh s LYS 117 N -0.14 1.97 0.11 2.79 3.01 0.11 -4.95 119.74 122.64 1wsh s LYS 117 Ca 0.21 -1.13 -0.28 0.00 -1.01 0.00 0.00 55.97 53.76 1wsh s LYS 117 Cb -0.15 -2.71 -0.06 0.00 -1.01 0.00 0.00 37.83 33.91 1wsh s LYS 117 CO 0.09 -0.56 0.89 -1.58 0.51 0.00 0.00 175.35 174.70 1wsh s TRP 118 N 1.26 3.82 -0.32 3.18 0.52 -1.26 -0.96 118.94 125.17 1wsh s TRP 118 Ca -0.07 1.71 0.03 0.00 0.02 0.00 0.00 56.10 57.80 1wsh s TRP 118 Cb -0.19 -2.96 0.09 0.00 -1.15 0.00 0.00 33.47 29.26 1wsh s TRP 118 CO -0.06 0.27 0.03 -1.21 0.02 0.00 0.00 176.95 176.00 1wsh s GLU 119 N -0.22 1.53 -0.29 4.98 0.41 0.38 -4.92 118.70 120.57 1wsh s GLU 119 Ca 0.43 -1.71 -0.29 0.00 -0.41 0.00 0.00 54.97 52.99 1wsh s GLU 119 Cb -0.23 -3.04 0.01 0.00 -1.78 0.00 0.00 34.13 29.09 1wsh s GLU 119 CO 0.28 -0.88 1.06 -1.58 -0.49 0.00 0.00 175.26 173.65 1wsh s TRP 120 N 1.00 3.21 0.41 1.61 0.52 -1.26 -2.19 118.94 122.24 1wsh s TRP 120 Ca 0.08 1.28 -0.04 0.00 0.02 0.00 0.00 56.10 57.43 1wsh s TRP 120 Cb -0.19 -3.56 0.09 0.00 -1.15 0.00 0.00 33.47 28.66 1wsh s TRP 120 CO -0.09 -0.68 0.56 0.28 0.02 0.00 0.00 176.95 177.04 1wsh n VAL 121 N 5.70 0.00 0.00 4.03 0.31 0.05 -4.96 118.33 123.46 1wsh n VAL 121 Ca 0.12 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1wsh n VAL 121 Cb 0.47 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 1wsh n VAL 121 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1wsh n HIS 127 N -2.51 0.00 -0.21 3.52 -0.00 -1.26 -4.36 115.22 110.40 1wsh n HIS 127 Ca 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.77 1wsh n HIS 127 Cb 0.28 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.34 1wsh n HIS 127 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1wsh h PRO 128 N 0.00 0.67 -0.69 -0.41 0.11 -2.06 -2.06 132.00 127.56 1wsh h PRO 128 Ca 0.00 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.99 1wsh h PRO 128 Cb 0.00 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 30.93 1wsh h PRO 128 CO 0.00 0.44 0.14 0.93 -0.21 0.00 0.00 178.00 179.30 1wsh h GLU 129 N 0.69 1.12 -0.36 1.05 3.07 -2.03 -1.32 114.58 116.81 1wsh h GLU 129 Ca 0.26 -0.29 -0.07 0.00 -0.50 0.00 0.00 59.36 58.76 1wsh h GLU 129 Cb 0.10 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 1wsh h GLU 129 CO -0.14 1.01 -0.07 -0.91 -1.40 0.00 0.00 179.01 177.50 1wsh h ASN 130 N 1.05 0.58 -0.38 1.42 4.21 -1.88 -1.12 115.58 119.46 1wsh h ASN 130 Ca 0.21 -0.14 -0.13 0.00 1.21 0.00 0.00 56.30 57.45 1wsh h ASN 130 Cb 0.41 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 1wsh h ASN 130 CO 0.01 0.70 -0.26 -0.33 -1.29 0.00 0.00 177.43 176.25 1wsh h GLU 131 N 0.56 0.90 -0.48 0.81 5.08 -1.03 -1.85 114.58 118.57 1wsh h GLU 131 Ca 0.11 -0.40 -0.05 0.00 -1.00 0.00 0.00 59.36 58.02 1wsh h GLU 131 Cb 0.46 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1wsh h GLU 131 CO 0.02 1.05 0.11 0.00 -1.00 0.00 0.00 179.01 179.20 1wsh h ARG 132 N 0.77 0.73 -0.40 2.33 3.08 -0.75 -1.91 114.38 118.23 1wsh h ARG 132 Ca 0.09 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 1wsh h ARG 132 Cb 0.82 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1wsh h ARG 132 CO 0.07 0.67 -0.23 0.00 -1.07 0.00 0.00 179.97 179.41 1wsh h ASP 134 N 0.69 0.68 -0.36 0.00 3.58 -0.89 0.56 116.42 120.68 1wsh h ASP 134 Ca 0.09 -0.13 -0.16 0.00 0.42 0.00 0.00 57.03 57.25 1wsh h ASP 134 Cb 0.76 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 1wsh h ASP 134 CO 0.06 0.71 -0.40 -0.33 -2.88 0.00 0.00 179.24 176.40 1wsh h GLU 135 N 0.70 0.91 -0.63 0.28 4.39 -0.96 0.45 114.58 119.72 1wsh h GLU 135 Ca 0.15 -0.50 -0.03 0.00 0.34 0.00 0.00 59.36 59.32 1wsh h GLU 135 Cb 0.33 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1wsh h GLU 135 CO 0.00 1.15 0.28 -0.07 -1.16 0.00 0.00 179.01 179.21 1wsh h LEU 136 N 0.72 0.85 -0.31 1.33 3.38 -0.76 0.76 115.31 121.28 1wsh h LEU 136 Ca 0.05 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1wsh h LEU 136 Cb 1.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1wsh h LEU 136 CO 0.10 0.77 -0.03 0.00 0.09 0.00 0.00 178.44 179.37 1wsh h ALA 137 N 1.12 0.42 -0.80 1.53 0.00 -0.76 -1.45 119.26 119.32 1wsh h ALA 137 Ca 0.21 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1wsh h ALA 137 Cb 0.17 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1wsh h ALA 137 CO -0.02 0.20 0.33 0.00 0.00 0.00 0.00 179.25 179.76 1wsh h ARG 138 N 0.35 1.18 -0.50 0.00 3.08 -0.75 -0.90 114.38 116.84 1wsh h ARG 138 Ca 0.08 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 1wsh h ARG 138 Cb 0.49 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1wsh h ARG 138 CO 0.02 0.95 0.03 0.00 -1.07 0.00 0.00 179.97 179.90 1wsh h ALA 139 N 1.17 1.11 -0.30 0.04 0.00 -0.70 -2.47 119.26 118.11 1wsh h ALA 139 Ca 0.27 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1wsh h ALA 139 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1wsh h ALA 139 CO -0.02 0.57 -0.07 0.00 0.00 0.00 0.00 179.25 179.73 1wsh h ALA 140 N 1.26 0.41 -0.21 0.00 0.00 -0.85 -2.63 119.26 117.24 1wsh h ALA 140 Ca 0.15 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1wsh h ALA 140 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wsh h ALA 140 CO 0.02 0.23 0.18 0.00 0.00 0.00 0.00 179.25 179.68 1wsh h ALA 141 N 0.79 2.00 -0.01 0.00 0.00 -0.90 0.14 119.26 121.28 1wsh h ALA 141 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wsh h ALA 141 Cb 0.55 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1wsh h ALA 141 CO 0.03 -0.29 -0.05 -1.33 0.00 0.00 0.00 179.25 177.61 1wsh n MET 142 N -4.12 1.30 -3.04 0.00 2.81 -0.96 -4.15 117.12 108.97 1wsh n MET 142 Ca 0.02 -0.63 -0.15 0.00 -1.81 0.00 0.00 57.70 55.13 1wsh n MET 142 Cb 0.32 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.35 1wsh n MET 142 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1wsh n ASN 143 N -0.30 -0.24 -4.73 7.83 4.05 0.46 -5.09 115.26 117.23 1wsh n ASN 143 Ca 0.18 -3.23 -0.42 0.00 0.45 0.00 0.00 54.58 51.57 1wsh n ASN 143 Cb 0.30 0.23 -0.03 0.00 1.23 0.00 0.00 39.78 41.51 1wsh n ASN 143 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1wsh s PRO 144 N -1.51 4.33 0.00 1.20 0.04 -1.01 -4.44 135.00 133.61 1wsh s PRO 144 Ca 0.34 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1wsh s PRO 144 Cb 0.33 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1wsh s PRO 144 CO -0.07 -0.36 0.13 0.25 0.04 0.00 0.00 177.00 176.99 1wsh n THR 145 N 2.84 0.00 -4.39 1.26 -2.24 -0.29 -4.83 114.28 106.62 1wsh n THR 145 Ca 0.08 -0.30 -0.20 0.00 -2.27 0.00 0.00 64.05 61.36 1wsh n THR 145 Cb 0.42 1.18 -0.10 0.00 -2.10 0.00 0.00 70.33 69.72 1wsh n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wsh s LEU 146 N -0.67 2.47 -0.11 3.22 1.43 -0.70 -5.02 118.68 119.31 1wsh s LEU 146 Ca 0.00 -1.15 -0.03 0.00 -1.03 0.00 0.00 54.13 51.92 1wsh s LEU 146 Cb 0.00 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.58 1wsh s LEU 146 CO 0.00 -0.32 0.03 -0.70 0.23 0.00 0.00 176.35 175.59 1wsh s GLU 147 N -3.72 3.21 -1.06 1.70 2.12 -1.26 -1.28 118.70 118.41 1wsh s GLU 147 Ca 0.27 -0.36 -0.18 0.00 0.36 0.00 0.00 54.97 55.06 1wsh s GLU 147 Cb 0.03 -2.91 0.13 0.00 0.26 0.00 0.00 34.13 31.63 1wsh s GLU 147 CO 0.10 0.64 1.32 0.34 -0.54 0.00 0.00 175.26 177.12 1wsh s ASP 148 N -0.68 6.76 0.59 -1.70 3.68 -1.26 -4.82 116.67 119.25 1wsh s ASP 148 Ca 0.11 -2.29 0.40 0.00 2.13 0.00 0.00 52.55 52.90 1wsh s ASP 148 Cb -0.12 -2.44 2.07 0.00 -1.45 0.00 0.00 42.92 40.99 1wsh s ASP 148 CO 0.02 -1.04 2.21 0.71 0.13 0.00 0.00 175.17 177.20 1wsh h THR 149 N 5.59 0.00 0.00 1.71 1.35 -1.95 -2.17 112.91 117.44 1wsh h THR 149 Ca 0.24 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 1wsh h THR 149 Cb 0.96 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1wsh h THR 149 CO 1.22 0.00 -0.47 1.23 -0.25 0.00 0.00 175.52 177.26 1wsh h GLY 150 N 0.39 0.00 -5.82 5.82 0.00 -1.98 -3.45 103.07 98.03 1wsh h GLY 150 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1wsh h GLY 150 CO 0.00 0.00 1.03 -0.47 0.00 0.00 0.00 176.54 177.10 1wsh s TYR 151 N -3.19 2.44 -0.53 5.60 6.04 -0.82 -4.96 117.35 121.94 1wsh s TYR 151 Ca 0.06 0.72 -0.26 0.00 0.04 0.00 0.00 57.07 57.63 1wsh s TYR 151 Cb 0.12 -3.87 0.03 0.00 -1.04 0.00 0.00 41.96 37.20 1wsh s TYR 151 CO 0.70 -2.33 1.04 -0.65 -1.54 0.00 0.00 175.55 172.77 1wsh s GLN 152 N 4.25 3.48 -0.03 4.97 -0.21 -1.26 -4.96 119.66 125.89 1wsh s GLN 152 Ca 0.63 0.09 -0.37 0.00 0.02 0.00 0.00 55.36 55.73 1wsh s GLN 152 Cb -0.22 -4.00 -0.15 0.00 1.00 0.00 0.00 33.01 29.65 1wsh s GLN 152 CO 0.24 -1.48 1.59 0.28 -2.12 0.00 0.00 175.29 173.80 1wsh n VAL 153 N 6.48 0.18 0.53 1.09 0.31 -1.26 -4.86 118.33 120.80 1wsh n VAL 153 Ca 0.06 -0.03 0.11 0.00 -0.01 0.00 0.00 64.34 64.47 1wsh n VAL 153 Cb 0.48 -1.24 -0.05 0.00 -0.91 0.00 0.00 33.84 32.12 1wsh n VAL 153 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wsh n GLU 154 N 4.16 0.31 -0.53 5.55 1.02 -1.26 -5.22 120.64 124.67 1wsh n GLU 154 Ca 0.21 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1wsh n GLU 154 Cb 0.21 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1wsh n GLU 154 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59