#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi s ARG 4 N 0.00 0.08 -0.28 -0.72 3.52 -1.26 -3.07 118.95 117.23 2wdi s ARG 4 Ca 0.00 -0.01 -0.26 0.00 -0.13 0.00 0.00 55.73 55.33 2wdi s ARG 4 Cb 0.00 0.04 0.15 0.00 -1.56 0.00 0.00 34.95 33.58 2wdi s ARG 4 CO 0.00 -0.03 1.21 -1.17 -0.81 0.00 0.00 175.30 174.50 2wdi s LEU 5 N -1.60 -0.26 -0.14 -0.88 2.96 -1.11 -4.92 118.68 112.74 2wdi s LEU 5 Ca 0.10 0.46 -0.39 0.00 -0.22 0.00 0.00 54.13 54.08 2wdi s LEU 5 Cb -0.01 1.52 -0.16 0.00 0.50 0.00 0.00 46.19 48.04 2wdi s LEU 5 CO -0.05 -0.11 1.58 0.29 -1.32 0.00 0.00 176.35 176.74 2wdi n LYS 6 N 1.68 1.10 -4.19 1.98 5.02 -1.26 -3.60 118.16 118.89 2wdi n LYS 6 Ca -0.10 0.40 -0.23 0.00 -2.02 0.00 0.00 58.31 56.36 2wdi n LYS 6 Cb 0.57 -2.06 -0.07 0.00 -0.02 0.00 0.00 35.03 33.45 2wdi n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wdi s ALA 7 N 2.31 3.35 0.01 7.82 0.00 -1.18 -4.67 121.76 129.41 2wdi s ALA 7 Ca 0.93 -1.70 0.01 0.00 0.00 0.00 0.00 51.96 51.20 2wdi s ALA 7 Cb -1.04 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.26 2wdi s ALA 7 CO 0.59 0.16 -0.05 0.71 0.00 0.00 0.00 175.76 177.18 2wdi s TYR 8 N -2.35 0.41 0.10 0.00 1.51 -0.25 -3.93 117.35 112.85 2wdi s TYR 8 Ca 0.34 -0.27 -0.31 0.00 -1.01 0.00 0.00 57.07 55.82 2wdi s TYR 8 Cb -0.05 -0.26 -0.08 0.00 -0.11 0.00 0.00 41.96 41.46 2wdi s TYR 8 CO 0.22 -0.06 1.39 0.71 -1.11 0.00 0.00 175.55 176.69 2wdi s TYR 9 N -0.71 3.20 -0.25 2.71 4.12 -1.26 -2.67 117.35 122.50 2wdi s TYR 9 Ca -0.05 0.94 -0.05 0.00 0.02 0.00 0.00 57.07 57.93 2wdi s TYR 9 Cb -0.05 -3.67 -0.00 0.00 -1.52 0.00 0.00 41.96 36.71 2wdi s TYR 9 CO -0.00 -2.37 0.01 0.50 0.02 0.00 0.00 175.55 173.72 2wdi s ARG 10 N 1.24 3.29 0.04 -0.62 3.52 -0.97 -4.95 118.95 120.52 2wdi s ARG 10 Ca 0.64 -0.70 -0.21 0.00 -0.13 0.00 0.00 55.73 55.34 2wdi s ARG 10 Cb -0.36 -3.17 -0.14 0.00 -1.56 0.00 0.00 34.95 29.72 2wdi s ARG 10 CO 0.30 -0.29 1.38 0.93 -0.81 0.00 0.00 175.30 176.81 2wdi h GLU 11 N 8.16 0.33 0.00 5.12 3.07 -1.94 -3.39 114.58 125.93 2wdi h GLU 11 Ca -0.37 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.33 2wdi h GLU 11 Cb 1.15 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 2wdi h GLU 11 CO 0.60 0.67 0.00 0.41 -1.40 0.00 0.00 179.01 179.29 2wdi n GLY 12 N 0.06 0.15 3.35 -3.84 0.00 -1.26 -4.99 105.19 98.67 2wdi n GLY 12 Ca -0.06 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 2wdi n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdi s GLU 13 N 0.00 0.71 -1.10 1.61 8.01 -1.26 -4.96 118.70 121.71 2wdi s GLU 13 Ca 0.00 0.21 -0.04 0.00 0.01 0.00 0.00 54.97 55.15 2wdi s GLU 13 Cb 0.00 0.33 0.00 0.00 -4.31 0.00 0.00 34.13 30.16 2wdi s GLU 13 CO 0.00 -0.17 0.95 1.63 0.01 0.00 0.00 175.26 177.67 2wdi n LYS 14 N 1.76 -6.34 0.17 1.61 5.02 -1.26 -4.77 118.16 114.36 2wdi n LYS 14 Ca -0.18 0.71 0.17 0.00 -2.02 0.00 0.00 58.31 57.00 2wdi n LYS 14 Cb 0.56 -5.38 0.67 0.00 -0.02 0.00 0.00 35.03 30.86 2wdi n LYS 14 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2wdi h PRO 15 N -2.03 0.00 0.00 1.97 0.11 -1.99 0.46 132.00 130.52 2wdi h PRO 15 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2wdi h PRO 15 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2wdi h PRO 15 CO 0.46 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.70 2wdi n SER 16 N -3.24 0.00 -0.11 -2.05 2.88 -1.26 -3.43 113.62 106.40 2wdi n SER 16 Ca 0.05 0.46 0.19 0.00 -1.33 0.00 0.00 58.87 58.24 2wdi n SER 16 Cb 0.66 -0.42 0.60 0.00 -0.75 0.00 0.00 64.21 64.30 2wdi n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wdi h ALA 17 N -2.00 2.36 -0.01 -1.46 0.00 -1.78 0.41 119.26 116.77 2wdi h ALA 17 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2wdi h ALA 17 Cb 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2wdi h ALA 17 CO 0.00 -0.55 -0.18 1.25 0.00 0.00 0.00 179.25 179.77 2wdi h LEU 18 N 0.21 -0.53 -1.49 0.00 5.85 -0.26 0.75 115.31 119.83 2wdi h LEU 18 Ca 0.34 0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.24 2wdi h LEU 18 Cb 1.04 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.25 2wdi h LEU 18 CO -0.07 -0.24 0.46 0.03 -0.34 0.00 0.00 178.44 178.28 2wdi h ARG 19 N -0.29 0.56 0.71 1.25 3.08 -0.31 -1.36 114.38 118.02 2wdi h ARG 19 Ca 0.06 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 2wdi h ARG 19 Cb 0.37 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2wdi h ARG 19 CO -0.18 0.37 -0.37 0.00 -1.07 0.00 0.00 179.97 178.72 2wdi h ARG 20 N 0.57 -0.96 0.00 0.04 3.08 0.15 -2.52 114.38 114.74 2wdi h ARG 20 Ca 0.32 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.44 2wdi h ARG 20 Cb 0.49 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2wdi h ARG 20 CO -0.11 -0.64 0.07 0.00 -1.07 0.00 0.00 179.97 178.23 2wdi n ALA 21 N -2.56 0.90 -0.31 0.04 0.00 0.22 -4.70 120.51 114.11 2wdi n ALA 21 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2wdi n ALA 21 Cb 0.41 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.08 2wdi n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdi n GLY 22 N -1.23 0.83 3.92 0.00 0.00 -0.95 -5.07 105.19 102.69 2wdi n GLY 22 Ca 0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 2wdi n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdi s LYS 23 N -0.65 3.54 -0.24 1.61 3.01 -0.63 -2.32 119.74 124.06 2wdi s LYS 23 Ca 0.00 -0.27 -0.00 0.00 -1.01 0.00 0.00 55.97 54.69 2wdi s LYS 23 Cb 0.00 -2.79 0.03 0.00 -1.01 0.00 0.00 37.83 34.07 2wdi s LYS 23 CO 0.00 0.34 -0.09 -1.17 0.51 0.00 0.00 175.35 174.94 2wdi s LEU 24 N -3.45 3.13 0.69 3.17 2.96 -0.94 -3.68 118.68 120.56 2wdi s LEU 24 Ca 0.40 -0.99 -0.13 0.00 -0.22 0.00 0.00 54.13 53.18 2wdi s LEU 24 Cb -0.11 -1.61 0.02 0.00 0.50 0.00 0.00 46.19 44.99 2wdi s LEU 24 CO 0.30 -0.13 1.09 -2.84 -1.32 0.00 0.00 176.35 173.44 2wdi s PRO 25 N 1.26 2.70 0.12 0.98 0.02 -1.26 -2.13 135.00 136.68 2wdi s PRO 25 Ca -0.02 1.23 -0.24 0.00 0.02 0.00 0.00 61.00 61.99 2wdi s PRO 25 Cb -0.17 -1.95 0.08 0.00 0.02 0.00 0.00 34.50 32.48 2wdi s PRO 25 CO -0.06 -1.30 1.13 0.20 -0.33 0.00 0.00 177.00 176.64 2wdi s GLY 26 N -3.06 0.06 -0.03 0.52 0.00 -1.21 -2.72 107.32 100.89 2wdi s GLY 26 Ca 0.63 -0.26 -0.11 0.00 0.00 0.00 0.00 44.72 44.99 2wdi s GLY 26 CO 0.48 3.91 0.24 0.54 0.00 0.00 0.00 173.10 178.27 2wdi s VAL 27 N -2.04 0.05 -0.17 1.40 0.11 -0.58 -1.68 120.40 117.49 2wdi s VAL 27 Ca 0.26 -0.45 0.01 0.00 -2.93 0.00 0.00 61.98 58.86 2wdi s VAL 27 Cb -0.02 -0.50 0.02 0.00 -1.53 0.00 0.00 36.38 34.35 2wdi s VAL 27 CO 0.03 -0.25 -0.20 0.00 -3.33 0.00 0.00 175.10 171.36 2wdi s MET 28 N -1.04 2.91 0.13 1.54 0.23 -0.86 0.45 119.30 122.67 2wdi s MET 28 Ca -0.11 -0.80 -0.01 0.00 -1.03 0.00 0.00 55.69 53.74 2wdi s MET 28 Cb -0.05 -2.49 -0.04 0.00 -1.53 0.00 0.00 34.83 30.71 2wdi s MET 28 CO 0.02 -0.18 0.04 1.52 -2.03 0.00 0.00 175.02 174.39 2wdi s TYR 29 N 1.24 0.89 0.00 3.16 -0.85 -0.07 -3.34 117.35 118.38 2wdi s TYR 29 Ca 0.03 -1.20 0.00 0.00 -0.52 0.00 0.00 57.07 55.39 2wdi s TYR 29 Cb -0.13 -0.51 0.00 0.00 0.38 0.00 0.00 41.96 41.70 2wdi s TYR 29 CO -0.11 -0.47 0.03 0.27 -1.52 0.00 0.00 175.55 173.75 2wdi n ASN 30 N -0.10 0.00 0.00 -0.18 6.94 -1.19 -2.22 115.26 118.50 2wdi n ASN 30 Ca -0.06 -0.26 0.00 0.00 -0.02 0.00 0.00 54.58 54.24 2wdi n ASN 30 Cb 0.63 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.05 2wdi n ASN 30 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 2wdi n ARG 31 N 0.00 0.00 0.12 -3.83 0.63 -1.26 -4.68 116.66 107.64 2wdi n ARG 31 Ca 0.00 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.70 2wdi n ARG 31 Cb 0.13 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 32.89 2wdi n ARG 31 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2wdi h HIS 32 N 0.00 0.88 -2.22 -0.14 3.86 -1.96 -3.46 115.15 112.11 2wdi h HIS 32 Ca 0.00 -0.63 -0.47 0.00 -1.16 0.00 0.00 60.37 58.11 2wdi h HIS 32 Cb 0.00 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 2wdi h HIS 32 CO 0.00 1.49 -0.44 -1.17 0.86 0.00 0.00 177.93 178.67 2wdi s LEU 33 N -7.70 4.29 0.00 2.43 2.96 -1.26 -5.00 118.68 114.40 2wdi s LEU 33 Ca -0.10 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 2wdi s LEU 33 Cb 0.03 -2.83 0.00 0.00 0.50 0.00 0.00 46.19 43.89 2wdi s LEU 33 CO 0.92 -0.06 0.00 -3.20 -1.32 0.00 0.00 176.35 172.69 2wdi n ASN 34 N -1.34 0.00 -4.26 3.68 2.85 -1.21 -3.18 115.26 111.80 2wdi n ASN 34 Ca -0.09 0.00 -0.44 0.00 -0.11 0.00 0.00 54.58 53.94 2wdi n ASN 34 Cb 0.57 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.57 2wdi n ASN 34 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2wdi n ARG 35 N 0.00 0.00 -3.39 1.20 5.12 -1.21 -4.62 116.66 113.75 2wdi n ARG 35 Ca 0.00 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.54 2wdi n ARG 35 Cb 0.00 -0.98 -0.06 0.00 -1.16 0.00 0.00 32.46 30.26 2wdi n ARG 35 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2wdi s LYS 36 N -0.98 4.11 0.00 5.56 1.02 -1.26 -2.02 119.74 126.17 2wdi s LYS 36 Ca 0.60 0.50 0.00 0.00 0.02 0.00 0.00 55.97 57.10 2wdi s LYS 36 Cb -0.76 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.27 2wdi s LYS 36 CO 0.59 0.53 0.00 1.33 -0.92 0.00 0.00 175.35 176.88 2wdi n VAL 37 N 2.31 0.00 0.00 3.17 0.24 -0.68 -2.29 118.33 121.08 2wdi n VAL 37 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2wdi n VAL 37 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 2wdi n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wdi n TYR 38 N 0.00 0.00 -2.54 6.34 0.18 -1.09 -3.32 117.16 116.73 2wdi n TYR 38 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2wdi n TYR 38 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 2wdi n TYR 38 CO 0.00 0.00 0.00 1.33 -2.08 0.00 0.00 176.86 176.11 2wdi n VAL 39 N -1.11 0.00 -4.46 -3.48 0.24 -0.91 -1.10 118.33 107.52 2wdi n VAL 39 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.96 2wdi n VAL 39 Cb 0.00 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.26 2wdi n VAL 39 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wdi s ASP 40 N 1.00 4.96 0.04 -1.34 -1.08 -1.26 -2.22 116.67 116.77 2wdi s ASP 40 Ca 0.00 0.04 -0.20 0.00 -0.52 0.00 0.00 52.55 51.87 2wdi s ASP 40 Cb 0.00 -1.43 -0.10 0.00 -1.46 0.00 0.00 42.92 39.93 2wdi s ASP 40 CO 0.00 0.33 1.31 -0.07 0.52 0.00 0.00 175.17 177.26 2wdi h LEU 41 N 5.49 -0.70 -0.66 -1.34 3.38 -1.74 -1.35 115.31 118.39 2wdi h LEU 41 Ca -0.46 0.04 0.14 0.00 0.09 0.00 0.00 57.88 57.69 2wdi h LEU 41 Cb 1.18 0.21 -0.11 0.00 0.09 0.00 0.00 40.66 42.03 2wdi h LEU 41 CO 0.55 -0.41 -0.02 1.62 0.09 0.00 0.00 178.44 180.28 2wdi h VAL 42 N -0.64 0.44 0.38 1.22 3.04 -1.97 -1.34 116.25 117.37 2wdi h VAL 42 Ca -0.05 -0.03 -0.02 0.00 -1.01 0.00 0.00 66.70 65.58 2wdi h VAL 42 Cb 0.52 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.13 2wdi h VAL 42 CO 0.04 0.02 -0.18 -0.33 -1.01 0.00 0.00 177.57 176.10 2wdi h GLU 43 N 0.10 -0.49 -0.86 4.17 5.08 -1.95 -2.70 114.58 117.93 2wdi h GLU 43 Ca 0.34 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.96 2wdi h GLU 43 Cb 0.57 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 29.79 2wdi h GLU 43 CO -0.58 -0.33 0.23 0.35 -1.00 0.00 0.00 179.01 177.69 2wdi h PHE 44 N -0.51 0.36 0.00 4.33 3.04 -0.33 -2.94 116.94 120.88 2wdi h PHE 44 Ca -0.05 0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2wdi h PHE 44 Cb 0.39 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.88 2wdi h PHE 44 CO -0.05 -0.18 0.00 -3.47 -2.02 0.00 0.00 178.31 172.59 2wdi n ASP 45 N -5.20 0.00 -0.10 0.41 4.64 -0.59 -0.38 116.55 115.33 2wdi n ASP 45 Ca 0.20 0.05 0.01 0.00 -1.38 0.00 0.00 54.79 53.66 2wdi n ASP 45 Cb 0.64 0.00 0.03 0.00 -1.04 0.00 0.00 41.12 40.74 2wdi n ASP 45 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 2wdi n LYS 46 N -0.08 -0.05 0.44 -0.67 5.02 -1.15 0.27 118.16 121.95 2wdi n LYS 46 Ca 0.00 0.44 -0.17 0.00 -2.02 0.00 0.00 58.31 56.55 2wdi n LYS 46 Cb 0.00 -0.65 -0.08 0.00 -0.02 0.00 0.00 35.03 34.28 2wdi n LYS 46 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2wdi h VAL 47 N 0.00 0.00 -0.46 -0.18 2.07 -1.34 -3.08 116.25 113.27 2wdi h VAL 47 Ca 0.12 -0.02 -0.13 0.00 0.82 0.00 0.00 66.70 67.49 2wdi h VAL 47 Cb 0.19 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 2wdi h VAL 47 CO -0.28 0.00 -0.22 0.15 0.02 0.00 0.00 177.57 177.24 2wdi h PHE 48 N -1.15 1.07 -1.11 1.57 3.04 0.27 0.13 116.94 120.77 2wdi h PHE 48 Ca -0.12 -0.26 0.43 0.00 3.98 0.00 0.00 57.97 62.01 2wdi h PHE 48 Cb 0.86 -0.25 -0.17 0.00 2.56 0.00 0.00 35.95 38.96 2wdi h PHE 48 CO 0.04 1.06 0.64 0.54 -2.02 0.00 0.00 178.31 178.56 2wdi n ARG 49 N -4.11 -0.05 -0.10 1.11 5.12 0.76 0.12 116.66 119.50 2wdi n ARG 49 Ca 0.00 1.33 -0.15 0.00 -1.93 0.00 0.00 57.85 57.10 2wdi n ARG 49 Cb 0.45 -2.45 -0.05 0.00 -1.16 0.00 0.00 32.46 29.25 2wdi n ARG 49 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2wdi n GLN 50 N -5.07 0.53 0.19 5.56 6.02 -1.11 -4.68 117.38 118.81 2wdi n GLN 50 Ca 0.38 0.22 -0.15 0.00 -0.01 0.00 0.00 57.00 57.44 2wdi n GLN 50 Cb 1.36 -1.41 -0.07 0.00 1.02 0.00 0.00 30.24 31.14 2wdi n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wdi h ALA 51 N -0.96 -0.71 -0.70 -1.58 0.00 -0.32 -3.46 119.26 111.53 2wdi h ALA 51 Ca -0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2wdi h ALA 51 Cb 1.16 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2wdi h ALA 51 CO -0.13 -0.94 0.00 0.45 0.00 0.00 0.00 179.25 178.62 2wdi n SER 52 N -5.45 0.00 -2.82 0.00 2.88 0.33 -3.30 113.62 105.26 2wdi n SER 52 Ca -0.09 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.36 2wdi n SER 52 Cb 0.36 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.84 2wdi n SER 52 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2wdi n ILE 53 N 0.00 -0.12 -0.40 2.46 -6.64 -1.26 -4.68 119.36 108.72 2wdi n ILE 53 Ca 0.00 -1.65 0.00 0.00 -1.77 0.00 0.00 62.75 59.33 2wdi n ILE 53 Cb 0.00 0.90 0.00 0.00 -1.44 0.00 0.00 39.64 39.10 2wdi n ILE 53 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 2wdi n HIS 54 N 2.08 0.00 -3.61 4.28 8.25 -1.21 -4.80 115.22 120.21 2wdi n HIS 54 Ca 0.14 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.39 2wdi n HIS 54 Cb 0.59 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.54 2wdi n HIS 54 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2wdi s HIS 55 N 0.00 -0.03 1.01 4.41 3.76 -1.26 -4.87 115.29 118.31 2wdi s HIS 55 Ca 0.00 0.13 -0.21 0.00 -0.15 0.00 0.00 55.06 54.83 2wdi s HIS 55 Cb 0.00 -0.48 -0.11 0.00 1.11 0.00 0.00 32.58 33.10 2wdi s HIS 55 CO 0.00 -0.42 -0.86 0.28 -0.85 0.00 0.00 174.74 172.89 2wdi n VAL 56 N 5.30 0.00 -4.40 -0.90 0.31 -1.26 -4.57 118.33 112.81 2wdi n VAL 56 Ca -0.05 -0.24 -0.20 0.00 -0.01 0.00 0.00 64.34 63.83 2wdi n VAL 56 Cb 0.49 -0.15 -0.10 0.00 -0.91 0.00 0.00 33.84 33.17 2wdi n VAL 56 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2wdi s ILE 57 N -2.08 0.71 -0.10 2.52 -1.09 0.20 -2.43 121.20 118.93 2wdi s ILE 57 Ca 0.43 -2.00 -0.02 0.00 -2.23 0.00 0.00 60.65 56.82 2wdi s ILE 57 Cb -0.06 -2.61 0.04 0.00 -1.58 0.00 0.00 42.46 38.25 2wdi s ILE 57 CO 0.72 0.00 0.04 -0.69 -1.23 0.00 0.00 174.94 173.78 2wdi s VAL 58 N -3.49 0.22 -0.15 2.92 1.01 -1.17 0.96 120.40 120.69 2wdi s VAL 58 Ca 0.35 0.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.07 2wdi s VAL 58 Cb 0.07 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 2wdi s VAL 58 CO 0.15 0.06 0.89 -0.76 0.00 0.00 0.00 175.10 175.44 2wdi s LEU 59 N 2.02 4.20 -1.21 3.92 1.43 -0.73 -2.73 118.68 125.59 2wdi s LEU 59 Ca 0.03 1.30 -0.10 0.00 -1.03 0.00 0.00 54.13 54.33 2wdi s LEU 59 Cb -0.14 -3.35 0.21 0.00 0.03 0.00 0.00 46.19 42.94 2wdi s LEU 59 CO -0.06 -0.42 1.59 -0.62 0.23 0.00 0.00 176.35 177.08 2wdi n GLU 60 N 5.16 3.70 -1.11 1.70 1.02 -1.24 -3.41 120.64 126.46 2wdi n GLU 60 Ca 0.06 -3.91 -0.35 0.00 -0.02 0.00 0.00 57.16 52.94 2wdi n GLU 60 Cb 0.49 -2.84 0.09 0.00 -0.02 0.00 0.00 31.44 29.16 2wdi n GLU 60 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2wdi n LEU 61 N 3.78 0.80 0.09 -4.62 7.99 -1.20 -3.10 117.00 120.74 2wdi n LEU 61 Ca 0.35 0.51 0.03 0.00 -0.01 0.00 0.00 56.01 56.88 2wdi n LEU 61 Cb 0.38 -1.24 0.41 0.00 -0.11 0.00 0.00 43.42 42.86 2wdi n LEU 61 CO 0.71 -3.16 0.98 -0.65 -1.51 0.00 0.00 177.39 173.75 2wdi h PRO 62 N -0.78 0.32 -2.28 3.23 0.11 -1.91 -3.19 132.00 127.50 2wdi h PRO 62 Ca -0.45 -0.05 -0.48 0.00 0.11 0.00 0.00 66.00 65.13 2wdi h PRO 62 Cb 1.32 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.28 2wdi h PRO 62 CO 0.40 0.36 1.11 -0.25 -0.21 0.00 0.00 178.00 179.41 2wdi n ASP 63 N -4.35 6.77 0.00 -2.05 8.00 -1.26 -4.83 116.55 118.84 2wdi n ASP 63 Ca 0.00 -2.86 0.00 0.00 0.71 0.00 0.00 54.79 52.64 2wdi n ASP 63 Cb 0.20 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 39.93 2wdi n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wdi n GLY 64 N 1.99 0.00 3.08 0.44 0.00 -1.21 -4.89 105.19 104.60 2wdi n GLY 64 Ca 0.55 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.20 2wdi n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wdi n GLN 65 N 0.00 -0.00 -3.15 1.61 1.13 -1.26 -4.81 117.38 110.90 2wdi n GLN 65 Ca 0.00 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.10 2wdi n GLN 65 Cb 0.00 -1.01 -0.00 0.00 0.11 0.00 0.00 30.24 29.33 2wdi n GLN 65 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2wdi s SER 66 N -1.01 -1.40 0.08 1.08 0.15 -1.25 -3.27 113.70 108.08 2wdi s SER 66 Ca 0.45 0.28 0.09 0.00 0.70 0.00 0.00 55.95 57.48 2wdi s SER 66 Cb -0.27 1.93 -0.03 0.00 -1.71 0.00 0.00 66.02 65.94 2wdi s SER 66 CO 0.78 -0.26 -0.25 -0.76 1.20 0.00 0.00 173.24 173.96 2wdi s LEU 67 N 2.86 2.24 -0.76 3.45 1.02 -1.22 -4.94 118.68 121.33 2wdi s LEU 67 Ca 0.14 -0.65 -0.26 0.00 0.02 0.00 0.00 54.13 53.38 2wdi s LEU 67 Cb -0.10 -1.13 0.02 0.00 0.02 0.00 0.00 46.19 45.00 2wdi s LEU 67 CO -0.24 0.18 1.45 -2.16 0.02 0.00 0.00 176.35 175.60 2wdi s PRO 68 N -1.61 3.10 0.18 1.29 0.04 -1.26 -1.77 135.00 134.98 2wdi s PRO 68 Ca 0.11 -0.20 0.05 0.00 0.04 0.00 0.00 61.00 61.00 2wdi s PRO 68 Cb -0.10 -4.43 -0.04 0.00 0.04 0.00 0.00 34.50 29.98 2wdi s PRO 68 CO 0.04 -2.33 0.17 0.95 0.04 0.00 0.00 177.00 175.86 2wdi s THR 69 N 6.50 4.58 0.17 1.26 -4.23 0.27 -0.18 115.64 124.01 2wdi s THR 69 Ca 0.45 -1.09 0.06 0.00 -1.18 0.00 0.00 61.69 59.92 2wdi s THR 69 Cb -0.08 -3.37 -0.05 0.00 1.34 0.00 0.00 72.50 70.35 2wdi s THR 69 CO 0.12 -0.15 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.17 2wdi s LEU 70 N -3.26 2.54 -0.35 4.79 1.43 -0.08 0.60 118.68 124.35 2wdi s LEU 70 Ca 0.32 -1.01 -0.16 0.00 -1.03 0.00 0.00 54.13 52.25 2wdi s LEU 70 Cb -0.10 -0.50 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 2wdi s LEU 70 CO 0.24 -0.25 0.41 -0.69 0.23 0.00 0.00 176.35 176.29 2wdi s VAL 71 N -3.13 5.12 -0.21 -1.59 1.01 -1.26 0.13 120.40 120.47 2wdi s VAL 71 Ca 0.19 0.10 0.19 0.00 0.00 0.00 0.00 61.98 62.46 2wdi s VAL 71 Cb 0.01 -3.88 0.04 0.00 0.00 0.00 0.00 36.38 32.55 2wdi s VAL 71 CO 0.03 -0.15 1.20 0.03 0.00 0.00 0.00 175.10 176.21 2wdi h ARG 72 N 8.48 0.00 0.00 2.72 2.47 -1.92 -3.47 114.38 122.66 2wdi h ARG 72 Ca -0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 2wdi h ARG 72 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 2wdi h ARG 72 CO 0.72 0.24 0.00 0.00 0.56 0.00 0.00 179.97 181.49 2wdi n GLN 73 N -2.98 0.00 -3.59 0.04 10.64 -1.26 -5.02 117.38 115.20 2wdi n GLN 73 Ca -0.02 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.78 2wdi n GLN 73 Cb 0.69 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.97 2wdi n GLN 73 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2wdi s VAL 74 N 0.00 5.31 -0.46 -0.39 1.01 -1.26 -2.37 120.40 122.23 2wdi s VAL 74 Ca 0.00 0.22 -0.20 0.00 0.00 0.00 0.00 61.98 62.00 2wdi s VAL 74 Cb 0.00 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.88 2wdi s VAL 74 CO 0.00 0.28 0.63 0.20 0.00 0.00 0.00 175.10 176.21 2wdi s ASN 75 N 1.49 6.28 0.57 3.32 -0.87 -0.41 -5.00 114.94 120.32 2wdi s ASN 75 Ca 0.08 -0.56 -0.11 0.00 -1.57 0.00 0.00 52.86 50.71 2wdi s ASN 75 Cb -0.15 -2.31 -0.05 0.00 -0.02 0.00 0.00 41.25 38.73 2wdi s ASN 75 CO 0.09 -0.82 0.97 -0.76 -2.57 0.00 0.00 177.10 174.00 2wdi s LEU 76 N 2.76 3.38 -0.30 0.60 2.01 -1.26 0.50 118.68 126.38 2wdi s LEU 76 Ca 0.20 1.34 -0.12 0.00 0.01 0.00 0.00 54.13 55.56 2wdi s LEU 76 Cb -0.16 -4.35 -0.04 0.00 0.01 0.00 0.00 46.19 41.65 2wdi s LEU 76 CO 0.16 -0.76 0.20 -0.62 1.01 0.00 0.00 176.35 176.35 2wdi s ASP 77 N -3.97 6.03 0.00 2.29 2.15 -0.14 -4.62 116.67 118.41 2wdi s ASP 77 Ca 0.54 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.39 2wdi s ASP 77 Cb -0.11 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 2wdi s ASP 77 CO 0.48 -0.10 0.12 0.29 -0.17 0.00 0.00 175.17 175.79 2wdi n LYS 78 N 5.07 0.00 -3.94 4.34 4.76 -1.26 -3.35 118.16 123.79 2wdi n LYS 78 Ca -0.14 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.10 2wdi n LYS 78 Cb 0.51 -1.19 -0.17 0.00 -1.84 0.00 0.00 35.03 32.35 2wdi n LYS 78 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2wdi s ARG 79 N -1.39 0.60 -1.30 1.97 1.81 -1.26 -4.77 118.95 114.62 2wdi s ARG 79 Ca 0.00 0.03 0.00 0.00 -1.72 0.00 0.00 55.73 54.04 2wdi s ARG 79 Cb 0.00 -0.81 0.00 0.00 -0.45 0.00 0.00 34.95 33.69 2wdi s ARG 79 CO 0.00 -0.19 0.00 0.54 -0.68 0.00 0.00 175.30 174.97 2wdi n ARG 80 N 4.55 -1.58 -0.63 3.54 5.12 -1.26 -3.72 116.66 122.68 2wdi n ARG 80 Ca -0.17 0.85 -0.02 0.00 -1.93 0.00 0.00 57.85 56.58 2wdi n ARG 80 Cb 0.50 -5.14 -0.01 0.00 -1.16 0.00 0.00 32.46 26.65 2wdi n ARG 80 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2wdi n ARG 81 N -1.24 -1.72 -1.58 5.56 1.85 -1.21 -4.96 116.66 113.36 2wdi n ARG 81 Ca -0.12 0.26 -0.37 0.00 -1.00 0.00 0.00 57.85 56.62 2wdi n ARG 81 Cb 0.53 -3.76 0.07 0.00 -1.05 0.00 0.00 32.46 28.25 2wdi n ARG 81 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2wdi n ARG 82 N -0.26 0.85 -3.00 2.89 0.63 -1.24 -4.54 116.66 111.98 2wdi n ARG 82 Ca -0.02 0.34 -0.40 0.00 -0.92 0.00 0.00 57.85 56.85 2wdi n ARG 82 Cb 0.19 -2.32 -0.05 0.00 0.45 0.00 0.00 32.46 30.74 2wdi n ARG 82 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2wdi s PRO 83 N -3.16 4.46 -0.06 -0.14 0.04 -1.26 -0.97 135.00 133.92 2wdi s PRO 83 Ca 0.78 0.99 -0.24 0.00 0.04 0.00 0.00 61.00 62.57 2wdi s PRO 83 Cb -0.38 -3.41 -0.26 0.00 0.04 0.00 0.00 34.50 30.49 2wdi s PRO 83 CO 0.45 0.16 0.97 0.93 0.04 0.00 0.00 177.00 179.55 2wdi h GLU 84 N 6.27 0.20 -1.47 4.56 4.39 -0.20 -3.46 114.58 124.86 2wdi h GLU 84 Ca -0.42 -0.26 0.09 0.00 0.34 0.00 0.00 59.36 59.11 2wdi h GLU 84 Cb 1.20 0.08 -0.27 0.00 -0.10 0.00 0.00 28.75 29.66 2wdi h GLU 84 CO 0.73 1.03 0.56 -1.58 -1.16 0.00 0.00 179.01 178.59 2wdi s HIS 85 N -2.84 -0.37 0.12 4.33 5.04 -1.12 -4.43 115.29 116.01 2wdi s HIS 85 Ca -0.16 0.87 0.11 0.00 -1.54 0.00 0.00 55.06 54.34 2wdi s HIS 85 Cb 0.01 0.40 -0.04 0.00 0.04 0.00 0.00 32.58 32.99 2wdi s HIS 85 CO 0.76 -0.19 -0.27 0.14 -2.34 0.00 0.00 174.74 172.84 2wdi s VAL 86 N 0.02 2.27 -0.03 0.89 -7.23 -1.10 -1.28 120.40 113.93 2wdi s VAL 86 Ca 0.04 -1.71 -0.06 0.00 -1.81 0.00 0.00 61.98 58.43 2wdi s VAL 86 Cb -0.04 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 2wdi s VAL 86 CO -0.07 0.12 0.22 -1.81 -0.31 0.00 0.00 175.10 173.24 2wdi s ASP 87 N -1.98 6.45 -0.28 4.85 1.11 -1.00 -1.53 116.67 124.30 2wdi s ASP 87 Ca 0.14 0.50 0.01 0.00 0.18 0.00 0.00 52.55 53.39 2wdi s ASP 87 Cb -0.10 -2.07 0.08 0.00 1.07 0.00 0.00 42.92 41.90 2wdi s ASP 87 CO 0.06 0.30 0.01 -0.36 1.18 0.00 0.00 175.17 176.36 2wdi s PHE 88 N -1.22 2.61 -0.70 4.23 2.99 0.17 -3.13 117.98 122.94 2wdi s PHE 88 Ca 0.24 -2.10 -0.22 0.00 0.00 0.00 0.00 56.93 54.85 2wdi s PHE 88 Cb -0.13 -1.98 0.08 0.00 0.00 0.00 0.00 43.02 40.99 2wdi s PHE 88 CO 0.13 -0.85 1.01 0.12 -0.00 0.00 0.00 175.22 175.63 2wdi s PHE 89 N 1.31 2.70 -0.17 0.36 5.99 0.35 -0.89 117.98 127.64 2wdi s PHE 89 Ca 0.02 -0.64 -0.29 0.00 0.00 0.00 0.00 56.93 56.03 2wdi s PHE 89 Cb -0.19 -4.32 -0.03 0.00 0.00 0.00 0.00 43.02 38.48 2wdi s PHE 89 CO -0.11 -1.66 1.62 0.08 -0.00 0.00 0.00 175.22 175.15 2wdi s VAL 90 N 3.99 3.68 0.42 3.12 1.01 -0.94 -0.90 120.40 130.78 2wdi s VAL 90 Ca 0.24 0.79 -0.24 0.00 0.00 0.00 0.00 61.98 62.77 2wdi s VAL 90 Cb -0.15 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.51 2wdi s VAL 90 CO 0.08 -0.21 1.15 -0.76 0.00 0.00 0.00 175.10 175.36 2wdi s LEU 91 N 4.82 4.13 0.00 3.92 1.02 0.75 -4.67 118.68 128.65 2wdi s LEU 91 Ca 0.72 2.28 0.00 0.00 0.02 0.00 0.00 54.13 57.15 2wdi s LEU 91 Cb -0.27 -4.12 0.00 0.00 0.02 0.00 0.00 46.19 41.82 2wdi s LEU 91 CO 0.28 -0.72 0.00 -0.24 0.02 0.00 0.00 176.35 175.69 2wdi n SER 92 N -0.12 0.00 0.00 2.29 2.88 -1.26 -4.73 113.62 112.67 2wdi n SER 92 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2wdi n SER 92 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2wdi n SER 92 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2wdi n ASP 93 N -1.05 0.00 -4.34 -3.46 5.68 -1.26 -4.87 116.55 107.25 2wdi n ASP 93 Ca 0.00 0.00 -0.45 0.00 -0.50 0.00 0.00 54.79 53.84 2wdi n ASP 93 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 2wdi n ASP 93 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2wdi n GLU 94 N -0.05 0.00 -0.42 0.11 -0.58 -1.26 -4.07 120.64 114.37 2wdi n GLU 94 Ca 0.00 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.56 2wdi n GLU 94 Cb 0.00 -1.00 -0.03 0.00 -0.57 0.00 0.00 31.44 29.85 2wdi n GLU 94 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2wdi n PRO 95 N 1.13 0.80 -1.46 3.49 -0.02 -1.26 -4.37 135.00 133.32 2wdi n PRO 95 Ca 0.15 -1.01 -0.35 0.00 -2.02 0.00 0.00 63.50 60.27 2wdi n PRO 95 Cb 0.31 -2.31 0.09 0.00 -0.02 0.00 0.00 33.50 31.58 2wdi n PRO 95 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wdi s VAL 96 N 4.79 2.16 0.25 -1.45 1.01 0.76 -4.24 120.40 123.68 2wdi s VAL 96 Ca 0.28 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 2wdi s VAL 96 Cb 0.07 -2.74 -0.08 0.00 0.00 0.00 0.00 36.38 33.62 2wdi s VAL 96 CO 0.05 -0.04 0.73 -1.61 0.00 0.00 0.00 175.10 174.24 2wdi s GLU 97 N -3.79 4.18 -0.29 2.72 2.02 -1.26 -1.28 118.70 121.00 2wdi s GLU 97 Ca 0.77 0.81 -0.28 0.00 0.02 0.00 0.00 54.97 56.29 2wdi s GLU 97 Cb -0.32 -2.75 0.20 0.00 0.10 0.00 0.00 34.13 31.36 2wdi s GLU 97 CO 0.45 0.32 1.40 0.00 0.02 0.00 0.00 175.26 177.45 2wdi s MET 98 N -2.27 0.03 0.26 1.61 0.23 -0.98 -4.94 119.30 113.24 2wdi s MET 98 Ca 0.46 0.01 -0.10 0.00 -1.03 0.00 0.00 55.69 55.03 2wdi s MET 98 Cb -0.15 0.01 -0.07 0.00 -1.53 0.00 0.00 34.83 33.09 2wdi s MET 98 CO 0.20 -0.01 0.59 0.71 -2.03 0.00 0.00 175.02 174.48 2wdi s TYR 99 N -0.74 3.42 0.03 3.16 4.12 -1.25 0.08 117.35 126.17 2wdi s TYR 99 Ca 0.09 0.93 0.06 0.00 0.02 0.00 0.00 57.07 58.16 2wdi s TYR 99 Cb -0.02 -2.31 -0.02 0.00 -1.52 0.00 0.00 41.96 38.09 2wdi s TYR 99 CO -0.11 0.22 -0.17 0.08 0.02 0.00 0.00 175.55 175.59 2wdi s VAL 100 N -1.89 1.35 0.76 0.71 1.01 0.12 -4.68 120.40 117.79 2wdi s VAL 100 Ca 0.48 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 2wdi s VAL 100 Cb -0.11 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 2wdi s VAL 100 CO 0.21 0.13 0.61 -2.65 0.00 0.00 0.00 175.10 173.41 2wdi n PRO 101 N 1.99 0.23 -4.96 2.72 -0.02 -1.26 -1.68 135.00 132.03 2wdi n PRO 101 Ca -0.17 0.12 -0.27 0.00 -2.02 0.00 0.00 63.50 61.16 2wdi n PRO 101 Cb 0.54 -1.92 -0.16 0.00 -0.02 0.00 0.00 33.50 31.94 2wdi n PRO 101 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wdi s LEU 102 N -1.05 1.98 -0.09 2.45 1.02 -0.29 -3.19 118.68 119.50 2wdi s LEU 102 Ca 0.66 -0.39 0.00 0.00 0.02 0.00 0.00 54.13 54.42 2wdi s LEU 102 Cb -0.32 -1.07 0.02 0.00 0.02 0.00 0.00 46.19 44.84 2wdi s LEU 102 CO 0.58 0.20 -0.07 -0.13 0.02 0.00 0.00 176.35 176.95 2wdi s ARG 103 N -0.13 1.36 -0.64 1.70 0.52 -1.25 -4.93 118.95 115.58 2wdi s ARG 103 Ca -0.01 -0.22 0.05 0.00 -0.52 0.00 0.00 55.73 55.03 2wdi s ARG 103 Cb -0.11 -1.40 0.15 0.00 0.52 0.00 0.00 34.95 34.11 2wdi s ARG 103 CO 0.02 -0.20 0.41 -0.06 0.02 0.00 0.00 175.30 175.48 2wdi s PHE 104 N 1.49 3.43 -1.06 -0.53 0.08 -1.26 0.20 117.98 120.32 2wdi s PHE 104 Ca 0.00 -3.28 -0.25 0.00 0.12 0.00 0.00 56.93 53.52 2wdi s PHE 104 Cb -0.13 -2.75 -0.15 0.00 -0.57 0.00 0.00 43.02 39.42 2wdi s PHE 104 CO -0.05 -0.62 2.07 0.54 -0.10 0.00 0.00 175.22 177.06 2wdi s VAL 105 N -1.02 3.26 0.00 -0.44 0.11 -1.26 -4.74 120.40 116.30 2wdi s VAL 105 Ca 0.22 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 2wdi s VAL 105 Cb -0.13 -4.07 0.00 0.00 -1.53 0.00 0.00 36.38 30.65 2wdi s VAL 105 CO -0.10 -0.49 0.00 0.61 -3.33 0.00 0.00 175.10 171.79 2wdi n GLY 106 N 6.20 2.68 3.16 6.54 0.00 -1.26 -5.02 105.19 117.49 2wdi n GLY 106 Ca 0.43 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 2wdi n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wdi s THR 107 N -1.84 2.00 0.74 2.61 -4.23 -1.26 -4.96 115.64 108.70 2wdi s THR 107 Ca 0.00 -0.94 -0.11 0.00 -1.18 0.00 0.00 61.69 59.45 2wdi s THR 107 Cb 0.00 -1.78 0.18 0.00 1.34 0.00 0.00 72.50 72.24 2wdi s THR 107 CO 0.00 0.54 0.40 -0.81 -0.54 0.00 0.00 174.62 174.20 2wdi n PRO 108 N 4.10 -2.39 -0.37 3.99 -0.04 -1.24 -4.78 135.00 134.26 2wdi n PRO 108 Ca -0.20 -0.66 0.29 0.00 -0.04 0.00 0.00 63.50 62.89 2wdi n PRO 108 Cb 0.51 -1.01 0.56 0.00 -0.04 0.00 0.00 33.50 33.52 2wdi n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wdi h ALA 109 N -2.66 2.29 -0.72 0.55 0.00 -1.79 -3.30 119.26 113.62 2wdi h ALA 109 Ca -0.18 0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2wdi h ALA 109 Cb 0.61 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2wdi h ALA 109 CO 0.11 -0.91 0.62 0.41 0.00 0.00 0.00 179.25 179.48 2wdi n GLY 110 N -1.39 -0.06 0.00 0.00 0.00 -1.26 -4.44 105.19 98.04 2wdi n GLY 110 Ca 0.34 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.78 2wdi n GLY 110 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2wdi n VAL 111 N 8.43 0.00 0.00 1.61 3.14 -1.12 -3.94 118.33 126.44 2wdi n VAL 111 Ca 0.45 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.83 2wdi n VAL 111 Cb 0.45 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.23 2wdi n VAL 111 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2wdi n ARG 112 N 0.00 0.00 -0.00 1.45 0.63 -1.26 -4.99 116.66 112.48 2wdi n ARG 112 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 2wdi n ARG 112 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 2wdi n ARG 112 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdi n ALA 113 N -1.64 2.27 0.00 5.13 0.00 -1.26 -4.98 120.51 120.03 2wdi n ALA 113 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2wdi n ALA 113 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.28 2wdi n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdi n GLY 114 N 1.99 -1.68 0.00 0.00 0.00 -1.26 -4.49 105.19 99.76 2wdi n GLY 114 Ca -0.01 1.00 0.00 0.00 0.00 0.00 0.00 46.02 47.02 2wdi n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdi n GLY 115 N 0.00 0.18 3.11 -0.02 0.00 -1.23 -4.55 105.19 102.68 2wdi n GLY 115 Ca 0.00 0.71 0.02 0.00 0.00 0.00 0.00 46.02 46.75 2wdi n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdi s VAL 116 N 0.00 -0.94 0.85 1.61 1.01 -1.23 -2.81 120.40 118.90 2wdi s VAL 116 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 2wdi s VAL 116 Cb 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 36.38 35.29 2wdi s VAL 116 CO 0.00 -0.03 -0.38 -0.11 0.00 0.00 0.00 175.10 174.58 2wdi n LEU 117 N 5.42 -4.17 -4.40 3.92 0.00 -1.26 -3.20 117.00 113.30 2wdi n LEU 117 Ca -0.00 0.35 -0.26 0.00 0.00 0.00 0.00 56.01 56.09 2wdi n LEU 117 Cb 0.51 -0.88 -0.12 0.00 0.00 0.00 0.00 43.42 42.94 2wdi n LEU 117 CO 0.01 -5.21 -0.53 -1.58 0.00 0.00 0.00 177.39 170.09 2wdi s GLN 118 N -2.03 1.46 -1.11 1.96 0.74 0.52 -4.84 119.66 116.36 2wdi s GLN 118 Ca 0.48 -1.49 -0.21 0.00 0.05 0.00 0.00 55.36 54.19 2wdi s GLN 118 Cb -0.27 -1.76 0.05 0.00 1.10 0.00 0.00 33.01 32.13 2wdi s GLN 118 CO 0.75 0.38 1.55 -1.83 -0.55 0.00 0.00 175.29 175.59 2wdi s GLU 119 N -2.63 3.70 -0.68 1.67 1.03 -1.26 -3.52 118.70 117.01 2wdi s GLU 119 Ca 0.19 -1.39 -0.08 0.00 0.03 0.00 0.00 54.97 53.73 2wdi s GLU 119 Cb -0.08 -5.41 0.18 0.00 -0.80 0.00 0.00 34.13 28.02 2wdi s GLU 119 CO 0.09 -2.25 0.54 0.42 -1.33 0.00 0.00 175.26 172.73 2wdi s ILE 120 N 4.84 4.45 -0.39 1.83 1.01 -1.25 -4.62 121.20 127.07 2wdi s ILE 120 Ca 0.49 -2.63 -0.01 0.00 0.00 0.00 0.00 60.65 58.49 2wdi s ILE 120 Cb 0.01 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 2wdi s ILE 120 CO -0.04 -0.92 0.35 1.41 0.00 0.00 0.00 174.94 175.74 2wdi n HIS 121 N 3.84 -1.26 0.21 3.97 8.25 -1.26 -3.30 115.22 125.67 2wdi n HIS 121 Ca 0.08 0.47 0.16 0.00 -0.26 0.00 0.00 57.72 58.17 2wdi n HIS 121 Cb 0.41 -2.89 0.68 0.00 1.12 0.00 0.00 29.99 29.32 2wdi n HIS 121 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wdi h ARG 122 N -0.05 0.00 -4.29 -0.41 3.08 -1.85 -3.41 114.38 107.46 2wdi h ARG 122 Ca -0.10 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.78 2wdi h ARG 122 Cb 1.05 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.93 2wdi h ARG 122 CO 0.16 0.00 -0.69 0.16 -1.07 0.00 0.00 179.97 178.52 2wdi s ASP 123 N -4.50 0.59 -0.01 7.04 1.47 -1.26 -1.14 116.67 118.86 2wdi s ASP 123 Ca -0.03 -0.82 0.03 0.00 1.18 0.00 0.00 52.55 52.91 2wdi s ASP 123 Cb 0.10 0.14 -0.01 0.00 -0.34 0.00 0.00 42.92 42.81 2wdi s ASP 123 CO 0.35 -0.45 -0.11 -0.51 0.68 0.00 0.00 175.17 175.13 2wdi s ILE 124 N -2.96 0.87 0.55 2.11 2.07 -0.67 -4.83 121.20 118.34 2wdi s ILE 124 Ca 0.00 -0.47 -0.20 0.00 -1.41 0.00 0.00 60.65 58.57 2wdi s ILE 124 Cb 0.01 -0.73 -0.05 0.00 0.13 0.00 0.00 42.46 41.82 2wdi s ILE 124 CO -0.06 0.25 1.19 -0.22 -1.91 0.00 0.00 174.94 174.19 2wdi s LEU 125 N -0.26 3.76 0.00 8.50 2.96 -1.26 0.11 118.68 132.48 2wdi s LEU 125 Ca 0.04 2.34 -0.04 0.00 -0.22 0.00 0.00 54.13 56.25 2wdi s LEU 125 Cb -0.04 -4.52 0.02 0.00 0.50 0.00 0.00 46.19 42.15 2wdi s LEU 125 CO -0.00 -1.37 0.49 1.33 -1.32 0.00 0.00 176.35 175.47 2wdi n VAL 126 N -1.29 0.00 -3.93 1.68 0.24 0.11 -4.12 118.33 111.02 2wdi n VAL 126 Ca 0.12 -1.44 -0.30 0.00 -2.04 0.00 0.00 64.34 60.67 2wdi n VAL 126 Cb 0.49 0.96 -0.14 0.00 -1.47 0.00 0.00 33.84 33.68 2wdi n VAL 126 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2wdi s LYS 127 N -2.58 1.63 0.25 7.34 2.20 -1.12 -2.32 119.74 125.14 2wdi s LYS 127 Ca 0.23 -2.19 0.01 0.00 -0.36 0.00 0.00 55.97 53.67 2wdi s LYS 127 Cb -0.02 -3.07 -0.05 0.00 -1.51 0.00 0.00 37.83 33.19 2wdi s LYS 127 CO 0.17 -1.05 0.11 0.54 -0.36 0.00 0.00 175.35 174.76 2wdi s VAL 128 N 0.32 0.44 0.18 4.02 0.11 -0.41 -3.73 120.40 121.34 2wdi s VAL 128 Ca 0.15 -2.00 0.05 0.00 -2.93 0.00 0.00 61.98 57.24 2wdi s VAL 128 Cb -0.23 -2.61 -0.04 0.00 -1.53 0.00 0.00 36.38 31.98 2wdi s VAL 128 CO -0.04 0.00 0.20 -0.55 -3.33 0.00 0.00 175.10 171.37 2wdi s SER 129 N -3.29 5.77 0.00 3.54 0.15 -1.26 -0.17 113.70 118.44 2wdi s SER 129 Ca 0.38 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.96 2wdi s SER 129 Cb 0.08 -1.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 2wdi s SER 129 CO 0.14 0.03 0.00 -2.65 1.20 0.00 0.00 173.24 171.96 2wdi n PRO 130 N -0.63 0.00 0.00 5.44 -0.02 -1.26 -1.26 135.00 137.27 2wdi n PRO 130 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2wdi n PRO 130 Cb 0.55 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 2wdi n PRO 130 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wdi n ARG 131 N 0.27 0.00 -1.99 -0.52 1.74 -1.26 -4.85 116.66 110.05 2wdi n ARG 131 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 2wdi n ARG 131 Cb 0.00 -0.65 -0.00 0.00 -1.02 0.00 0.00 32.46 30.79 2wdi n ARG 131 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wdi n ASN 132 N -2.38 6.97 -4.16 0.55 3.02 -0.39 -4.90 115.26 113.98 2wdi n ASN 132 Ca 0.00 -3.04 -0.39 0.00 -0.03 0.00 0.00 54.58 51.12 2wdi n ASN 132 Cb 0.32 -1.44 -0.08 0.00 -0.61 0.00 0.00 39.78 37.97 2wdi n ASN 132 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wdi s ILE 133 N 0.04 4.19 1.30 2.41 1.01 -1.26 -4.54 121.20 124.35 2wdi s ILE 133 Ca 0.51 -2.70 -0.22 0.00 0.00 0.00 0.00 60.65 58.25 2wdi s ILE 133 Cb 0.15 -3.70 0.34 0.00 0.01 0.00 0.00 42.46 39.26 2wdi s ILE 133 CO -0.06 -0.90 0.76 -0.81 0.00 0.00 0.00 174.94 173.93 2wdi n PRO 134 N 3.78 -4.48 -0.01 2.79 -0.04 -1.26 -4.99 135.00 130.79 2wdi n PRO 134 Ca 0.07 -1.27 0.07 0.00 -0.04 0.00 0.00 63.50 62.32 2wdi n PRO 134 Cb 0.40 -1.68 -0.11 0.00 -0.04 0.00 0.00 33.50 32.07 2wdi n PRO 134 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wdi n GLU 135 N -5.26 0.49 -3.89 0.54 2.13 -1.26 -4.93 120.64 108.46 2wdi n GLU 135 Ca 0.12 -0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2wdi n GLU 135 Cb 0.53 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 30.90 2wdi n GLU 135 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 2wdi n PHE 136 N -2.02 0.00 -3.15 4.31 1.16 -1.26 -4.15 117.46 112.36 2wdi n PHE 136 Ca -0.03 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.59 2wdi n PHE 136 Cb 0.40 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.26 2wdi n PHE 136 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2wdi s ILE 137 N -3.02 -0.89 1.15 1.97 1.01 -1.19 -4.95 121.20 115.28 2wdi s ILE 137 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.48 2wdi s ILE 137 Cb 0.00 -0.91 0.20 0.00 0.01 0.00 0.00 42.46 41.76 2wdi s ILE 137 CO 0.00 0.00 0.38 -1.84 0.00 0.00 0.00 174.94 173.48 2wdi n GLU 138 N 5.39 -2.61 -3.71 2.79 0.28 -1.26 -3.89 120.64 117.64 2wdi n GLU 138 Ca 0.04 -0.76 -0.11 0.00 -0.16 0.00 0.00 57.16 56.16 2wdi n GLU 138 Cb 0.54 -1.69 -0.11 0.00 1.43 0.00 0.00 31.44 31.61 2wdi n GLU 138 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2wdi s VAL 139 N -2.16 -0.02 -0.57 3.84 1.01 0.13 -4.80 120.40 117.84 2wdi s VAL 139 Ca 0.51 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.52 2wdi s VAL 139 Cb -0.11 -0.60 0.08 0.00 0.00 0.00 0.00 36.38 35.76 2wdi s VAL 139 CO 0.51 0.03 2.69 -0.90 0.00 0.00 0.00 175.10 177.42 2wdi n ASP 140 N 3.79 6.70 -2.60 3.32 3.85 -1.26 -4.18 116.55 126.17 2wdi n ASP 140 Ca -0.20 -3.24 -0.11 0.00 -0.71 0.00 0.00 54.79 50.54 2wdi n ASP 140 Cb 0.56 -1.24 -0.06 0.00 -1.35 0.00 0.00 41.12 39.04 2wdi n ASP 140 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 2wdi n VAL 141 N 0.88 1.67 1.16 2.12 3.14 -1.26 -4.18 118.33 121.86 2wdi n VAL 141 Ca 0.51 -0.91 0.13 0.00 -2.96 0.00 0.00 64.34 61.10 2wdi n VAL 141 Cb 0.50 -1.85 0.26 0.00 -1.06 0.00 0.00 33.84 31.69 2wdi n VAL 141 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2wdi n SER 142 N 3.36 2.47 -2.61 6.55 3.41 -1.26 -3.71 113.62 121.83 2wdi n SER 142 Ca 0.27 -1.82 -0.13 0.00 -0.26 0.00 0.00 58.87 56.94 2wdi n SER 142 Cb 0.31 -0.01 0.03 0.00 -0.26 0.00 0.00 64.21 64.28 2wdi n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdi n GLY 143 N 1.29 2.81 2.70 5.00 0.00 -1.26 -3.94 105.19 111.79 2wdi n GLY 143 Ca 0.16 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 2wdi n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdi s LEU 144 N -3.34 2.61 0.00 0.99 2.01 -1.26 -4.95 118.68 114.74 2wdi s LEU 144 Ca 0.33 -2.57 0.00 0.00 0.01 0.00 0.00 54.13 51.90 2wdi s LEU 144 Cb 0.42 -1.01 0.00 0.00 0.01 0.00 0.00 46.19 45.62 2wdi s LEU 144 CO -0.02 -0.27 0.00 1.21 1.01 0.00 0.00 176.35 178.27 2wdi n GLU 145 N 3.61 1.21 -0.51 1.70 0.00 -1.26 -4.42 120.64 120.97 2wdi n GLU 145 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.15 2wdi n GLU 145 Cb 0.35 0.00 0.06 0.00 0.00 0.00 0.00 31.44 31.85 2wdi n GLU 145 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 2wdi n ILE 146 N -0.64 1.93 -1.59 6.31 -5.35 -1.26 -3.43 119.36 115.34 2wdi n ILE 146 Ca 0.00 -0.81 0.00 0.00 -0.27 0.00 0.00 62.75 61.67 2wdi n ILE 146 Cb 0.00 -0.89 0.00 0.00 -1.74 0.00 0.00 39.64 37.01 2wdi n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wdi n GLY 147 N -0.01 -0.23 3.15 3.28 0.00 -1.26 -4.94 105.19 105.17 2wdi n GLY 147 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 2wdi n GLY 147 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wdi s ASP 148 N 0.00 2.29 0.37 1.61 -1.08 -1.22 -5.15 116.67 113.49 2wdi s ASP 148 Ca 0.00 -0.38 0.05 0.00 -0.52 0.00 0.00 52.55 51.70 2wdi s ASP 148 Cb 0.00 -0.71 -0.07 0.00 -1.46 0.00 0.00 42.92 40.69 2wdi s ASP 148 CO 0.00 0.15 0.04 -0.94 0.52 0.00 0.00 175.17 174.95 2wdi s SER 149 N 0.09 2.99 -0.37 -0.34 1.04 -1.26 -4.48 113.70 111.38 2wdi s SER 149 Ca -0.06 -1.40 0.13 0.00 0.48 0.00 0.00 55.95 55.10 2wdi s SER 149 Cb -0.13 -0.15 0.36 0.00 0.10 0.00 0.00 66.02 66.21 2wdi s SER 149 CO 0.03 -0.57 0.76 0.00 0.98 0.00 0.00 173.24 174.44 2wdi n LEU 150 N -0.82 1.00 0.11 2.42 -0.00 -1.26 -4.97 117.00 113.48 2wdi n LEU 150 Ca -0.04 -4.85 -0.24 0.00 -0.00 0.00 0.00 56.01 50.88 2wdi n LEU 150 Cb 0.67 0.65 -0.15 0.00 -0.00 0.00 0.00 43.42 44.58 2wdi n LEU 150 CO 0.44 2.20 -0.28 1.12 -0.00 0.00 0.00 177.39 180.86 2wdi h HIS 151 N 3.00 0.85 -2.17 1.47 2.07 -1.84 -3.35 115.15 115.17 2wdi h HIS 151 Ca 0.07 -0.62 -0.38 0.00 -2.85 0.00 0.00 60.37 56.59 2wdi h HIS 151 Cb 0.99 -0.03 0.20 0.00 2.57 0.00 0.00 27.41 31.14 2wdi h HIS 151 CO 0.47 1.56 -0.88 0.00 -3.07 0.00 0.00 177.93 176.02 2wdi n ALA 152 N -2.76 -3.30 -1.46 6.11 0.00 -1.26 -4.09 120.51 113.76 2wdi n ALA 152 Ca -0.19 -1.27 -0.37 0.00 0.00 0.00 0.00 53.44 51.62 2wdi n ALA 152 Cb 1.05 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 2wdi n ALA 152 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdi n SER 153 N -1.58 8.26 -1.92 0.00 2.88 -1.26 -4.71 113.62 115.30 2wdi n SER 153 Ca 0.03 -2.72 -0.06 0.00 -1.33 0.00 0.00 58.87 54.78 2wdi n SER 153 Cb 0.55 -1.49 -0.09 0.00 -0.75 0.00 0.00 64.21 62.43 2wdi n SER 153 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2wdi n ASP 154 N 2.96 4.27 -4.59 -3.46 8.00 -1.26 -4.84 116.55 117.64 2wdi n ASP 154 Ca 0.71 -2.24 -0.33 0.00 0.71 0.00 0.00 54.79 53.64 2wdi n ASP 154 Cb 0.30 -1.07 -0.11 0.00 -0.02 0.00 0.00 41.12 40.22 2wdi n ASP 154 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wdi s LEU 155 N 0.00 3.19 -0.28 0.64 1.43 -1.26 -5.04 118.68 117.37 2wdi s LEU 155 Ca 0.35 -0.06 -0.24 0.00 -1.03 0.00 0.00 54.13 53.14 2wdi s LEU 155 Cb 0.17 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.63 2wdi s LEU 155 CO 0.00 0.33 0.84 -0.75 0.23 0.00 0.00 176.35 177.00 2wdi s LYS 156 N -1.07 4.08 -0.38 1.70 2.20 -1.26 -5.03 119.74 119.98 2wdi s LYS 156 Ca 0.14 0.81 -0.09 0.00 -0.36 0.00 0.00 55.97 56.47 2wdi s LYS 156 Cb -0.11 -3.69 0.05 0.00 -1.51 0.00 0.00 37.83 32.57 2wdi s LYS 156 CO 0.04 -0.62 0.19 -0.51 -0.36 0.00 0.00 175.35 174.09 2wdi s LEU 157 N 2.97 4.74 0.00 5.43 1.02 -1.26 -4.96 118.68 126.62 2wdi s LEU 157 Ca 0.35 -1.23 0.00 0.00 0.02 0.00 0.00 54.13 53.27 2wdi s LEU 157 Cb -0.14 -1.96 0.00 0.00 0.02 0.00 0.00 46.19 44.11 2wdi s LEU 157 CO 0.10 -0.42 0.00 -0.81 0.02 0.00 0.00 176.35 175.24 2wdi n PRO 158 N 4.90 1.78 -1.85 1.29 -0.04 -1.26 -4.87 135.00 134.95 2wdi n PRO 158 Ca -0.11 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.93 2wdi n PRO 158 Cb 0.44 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.87 2wdi n PRO 158 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2wdi s PRO 159 N 0.00 4.18 0.00 0.54 0.02 -1.26 -3.23 135.00 135.25 2wdi s PRO 159 Ca 0.00 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.46 2wdi s PRO 159 Cb 0.00 -3.37 0.00 0.00 0.02 0.00 0.00 34.50 31.15 2wdi s PRO 159 CO 0.00 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 2wdi n GLY 160 N 3.97 1.42 3.53 0.52 0.00 -1.26 -4.78 105.19 108.59 2wdi n GLY 160 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2wdi n GLY 160 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdi n VAL 161 N 0.00 -0.00 -4.97 1.61 0.31 -1.20 -4.36 118.33 109.71 2wdi n VAL 161 Ca 0.00 -0.57 -0.28 0.00 -0.01 0.00 0.00 64.34 63.48 2wdi n VAL 161 Cb 0.00 -2.24 -0.17 0.00 -0.91 0.00 0.00 33.84 30.53 2wdi n VAL 161 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2wdi s GLU 162 N 8.02 2.28 0.77 5.55 2.12 -1.24 -4.50 118.70 131.70 2wdi s GLU 162 Ca 1.07 -0.70 -0.17 0.00 0.36 0.00 0.00 54.97 55.53 2wdi s GLU 162 Cb -0.46 -1.85 -0.15 0.00 0.26 0.00 0.00 34.13 31.93 2wdi s GLU 162 CO 0.34 0.20 -0.52 1.28 -0.54 0.00 0.00 175.26 176.02 2wdi n LEU 163 N 3.37 -4.93 -2.79 2.70 4.32 -1.26 -2.79 117.00 115.62 2wdi n LEU 163 Ca -0.19 0.36 -0.10 0.00 -0.02 0.00 0.00 56.01 56.06 2wdi n LEU 163 Cb 0.53 -0.77 0.06 0.00 -1.62 0.00 0.00 43.42 41.61 2wdi n LEU 163 CO 0.26 -5.38 0.21 0.00 -1.22 0.00 0.00 177.39 171.26 2wdi n ALA 164 N -2.03 -0.75 -2.00 -1.18 0.00 -1.26 -4.53 120.51 108.75 2wdi n ALA 164 Ca 0.02 -1.65 0.00 0.00 0.00 0.00 0.00 53.44 51.81 2wdi n ALA 164 Cb 0.51 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2wdi n ALA 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdi n VAL 165 N 1.03 0.00 0.03 0.00 0.31 -1.26 -4.71 118.33 113.73 2wdi n VAL 165 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2wdi n VAL 165 Cb 0.65 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 2wdi n VAL 165 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2wdi n SER 166 N 0.00 0.34 -4.71 4.52 7.64 -1.26 -4.86 113.62 115.30 2wdi n SER 166 Ca 0.00 0.09 -0.42 0.00 1.01 0.00 0.00 58.87 59.55 2wdi n SER 166 Cb 0.00 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.10 2wdi n SER 166 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2wdi s PRO 167 N -2.00 4.47 0.00 1.43 0.02 -1.26 -5.11 135.00 132.55 2wdi s PRO 167 Ca 0.00 1.59 0.00 0.00 0.02 0.00 0.00 61.00 62.61 2wdi s PRO 167 Cb 0.00 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 31.08 2wdi s PRO 167 CO 0.00 -0.21 0.00 -1.91 -0.33 0.00 0.00 177.00 174.55 2wdi n GLU 168 N 4.20 0.00 -1.58 5.54 0.00 -1.26 -4.56 120.64 122.98 2wdi n GLU 168 Ca 0.08 0.00 -0.49 0.00 0.00 0.00 0.00 57.16 56.75 2wdi n GLU 168 Cb 0.48 -0.02 -0.04 0.00 0.00 0.00 0.00 31.44 31.86 2wdi n GLU 168 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2wdi n GLU 169 N -1.95 1.21 -0.91 5.31 4.07 -1.26 -3.99 120.64 123.12 2wdi n GLU 169 Ca 0.00 0.43 -0.29 0.00 -0.06 0.00 0.00 57.16 57.25 2wdi n GLU 169 Cb 0.00 -1.96 0.22 0.00 -0.06 0.00 0.00 31.44 29.64 2wdi n GLU 169 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2wdi s THR 170 N -0.09 1.93 0.00 6.31 -4.23 -1.26 -4.41 115.64 113.89 2wdi s THR 170 Ca 0.74 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.25 2wdi s THR 170 Cb -0.85 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 70.66 2wdi s THR 170 CO 0.51 0.00 0.00 2.30 -0.54 0.00 0.00 174.62 176.89 2wdi n ILE 171 N -4.58 0.00 0.00 2.99 -5.35 -1.25 -4.77 119.36 106.40 2wdi n ILE 171 Ca 0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 2wdi n ILE 171 Cb 0.57 1.79 0.00 0.00 -1.74 0.00 0.00 39.64 40.26 2wdi n ILE 171 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wdi n ALA 172 N 0.00 0.00 -2.63 -1.28 0.00 -1.21 -3.85 120.51 111.54 2wdi n ALA 172 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2wdi n ALA 172 Cb 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.53 2wdi n ALA 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdi s ALA 173 N -0.14 1.40 -0.34 0.00 0.00 -1.23 -4.51 121.76 116.94 2wdi s ALA 173 Ca 0.00 -1.10 -0.17 0.00 0.00 0.00 0.00 51.96 50.69 2wdi s ALA 173 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 2wdi s ALA 173 CO 0.00 0.22 0.44 0.08 0.00 0.00 0.00 175.76 176.50 2wdi s VAL 174 N -1.33 5.09 0.20 0.00 1.01 -1.26 0.19 120.40 124.31 2wdi s VAL 174 Ca 0.02 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.24 2wdi s VAL 174 Cb -0.09 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 2wdi s VAL 174 CO 0.03 -0.12 0.40 0.68 0.00 0.00 0.00 175.10 176.09 2wdi s VAL 175 N 2.21 5.18 1.00 2.92 -7.23 -1.19 -4.54 120.40 118.75 2wdi s VAL 175 Ca 0.16 -0.24 -0.12 0.00 -1.81 0.00 0.00 61.98 59.96 2wdi s VAL 175 Cb -0.16 -3.71 0.19 0.00 0.56 0.00 0.00 36.38 33.26 2wdi s VAL 175 CO 0.12 -0.15 1.10 -2.16 -0.31 0.00 0.00 175.10 173.70 2wdi s PRO 176 N -3.22 0.40 0.00 4.82 0.04 -1.26 -3.55 135.00 132.23 2wdi s PRO 176 Ca 0.39 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.89 2wdi s PRO 176 Cb -0.11 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2wdi s PRO 176 CO 0.28 -2.74 0.00 -0.35 0.04 0.00 0.00 177.00 174.24 2wdi n PRO 177 N -4.17 2.48 -0.88 0.56 -0.04 -1.26 -4.81 135.00 126.88 2wdi n PRO 177 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2wdi n PRO 177 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 2wdi n PRO 177 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wdi n GLU 178 N 0.00 0.00 0.00 0.54 -0.58 -1.26 -5.09 120.64 114.25 2wdi n GLU 178 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wdi n GLU 178 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2wdi n GLU 178 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25