#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi s LEU 6 N 0.00 3.43 -0.14 -2.67 2.34 -1.26 -5.06 118.68 115.31 2wdi s LEU 6 Ca 0.00 -0.47 -0.11 0.00 0.06 0.00 0.00 54.13 53.61 2wdi s LEU 6 Cb 0.00 -2.40 -0.08 0.00 -0.56 0.00 0.00 46.19 43.15 2wdi s LEU 6 CO 0.00 -1.02 0.06 -0.09 -1.06 0.00 0.00 176.35 174.23 2wdi h ARG 7 N 0.38 0.00 -5.21 1.48 9.65 -2.09 -3.40 114.38 115.19 2wdi h ARG 7 Ca -0.38 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.15 2wdi h ARG 7 Cb 1.28 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.86 2wdi h ARG 7 CO 0.45 0.31 1.14 -0.35 2.80 0.00 0.00 179.97 184.32 2wdi n PRO 8 N -4.62 1.27 0.00 0.20 -0.04 -1.26 -3.36 135.00 127.19 2wdi n PRO 8 Ca -0.11 -2.16 0.00 0.00 -0.04 0.00 0.00 63.50 61.19 2wdi n PRO 8 Cb 0.30 -3.56 0.00 0.00 -0.04 0.00 0.00 33.50 30.21 2wdi n PRO 8 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2wdi n ASN 9 N 13.77 0.00 0.08 3.54 0.23 -1.26 -4.96 115.26 126.66 2wdi n ASN 9 Ca 0.45 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.64 2wdi n ASN 9 Cb 0.45 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.42 2wdi n ASN 9 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 2wdi h PRO 10 N 0.00 0.00 0.00 -0.53 0.11 -1.77 -3.44 132.00 126.37 2wdi h PRO 10 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wdi h PRO 10 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2wdi h PRO 10 CO 0.00 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.20 2wdi n GLY 11 N -1.59 0.00 3.63 -0.55 0.00 -1.26 -4.65 105.19 100.78 2wdi n GLY 11 Ca 0.11 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.62 2wdi n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdi n ALA 12 N 0.00 -0.14 -0.77 4.61 0.00 -1.26 -4.93 120.51 118.02 2wdi n ALA 12 Ca 0.00 0.46 -0.29 0.00 0.00 0.00 0.00 53.44 53.62 2wdi n ALA 12 Cb 0.00 -2.20 0.24 0.00 0.00 0.00 0.00 19.45 17.49 2wdi n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdi s ASN 13 N 1.31 1.11 0.00 0.00 6.03 -1.26 -4.72 114.94 117.41 2wdi s ASN 13 Ca 0.86 1.20 0.00 0.00 -1.03 0.00 0.00 52.86 53.89 2wdi s ASN 13 Cb -0.88 -1.85 0.00 0.00 -3.03 0.00 0.00 41.25 35.49 2wdi s ASN 13 CO 0.48 -4.08 0.00 0.29 -2.03 0.00 0.00 177.10 171.76 2wdi n LYS 14 N -4.80 0.00 -3.87 3.55 5.02 -1.26 -4.08 118.16 112.72 2wdi n LYS 14 Ca 0.06 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.05 2wdi n LYS 14 Cb 0.57 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.42 2wdi n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wdi s ARG 15 N 0.00 1.22 -0.04 1.97 0.52 -1.26 -4.86 118.95 116.50 2wdi s ARG 15 Ca 0.00 -1.17 -0.00 0.00 -0.52 0.00 0.00 55.73 54.04 2wdi s ARG 15 Cb 0.00 -2.49 -0.02 0.00 0.52 0.00 0.00 34.95 32.96 2wdi s ARG 15 CO 0.00 -0.80 -0.04 2.89 0.02 0.00 0.00 175.30 177.37 2wdi n ARG 16 N 4.67 0.09 0.00 3.54 -4.01 -1.26 -5.02 116.66 114.67 2wdi n ARG 16 Ca -0.05 0.03 0.00 0.00 -1.04 0.00 0.00 57.85 56.79 2wdi n ARG 16 Cb 0.43 -0.95 0.00 0.00 -3.04 0.00 0.00 32.46 28.90 2wdi n ARG 16 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 2wdi n LYS 17 N -2.77 0.00 0.00 2.89 4.81 -1.26 -4.85 118.16 116.98 2wdi n LYS 17 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 2wdi n LYS 17 Cb 0.57 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.49 2wdi n LYS 17 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2wdi n ARG 18 N -1.03 0.00 -1.40 1.64 5.12 -1.26 -4.45 116.66 115.28 2wdi n ARG 18 Ca 0.00 0.00 -0.49 0.00 -1.93 0.00 0.00 57.85 55.43 2wdi n ARG 18 Cb 0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.18 2wdi n ARG 18 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2wdi n VAL 19 N -0.60 0.02 -0.10 1.55 0.24 -1.26 -4.91 118.33 113.27 2wdi n VAL 19 Ca 0.00 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2wdi n VAL 19 Cb 0.00 -0.79 0.00 0.00 -1.47 0.00 0.00 33.84 31.58 2wdi n VAL 19 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdi n GLY 20 N 6.86 -1.81 3.25 7.63 0.00 -1.26 -5.01 105.19 114.85 2wdi n GLY 20 Ca 0.57 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 2wdi n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdi s ARG 21 N -0.49 2.60 -0.35 1.61 3.52 -1.26 -5.08 118.95 119.50 2wdi s ARG 21 Ca 0.00 -1.18 -0.12 0.00 -0.13 0.00 0.00 55.73 54.30 2wdi s ARG 21 Cb 0.00 -3.39 -0.00 0.00 -1.56 0.00 0.00 34.95 30.00 2wdi s ARG 21 CO 0.00 -0.64 0.22 0.20 -0.81 0.00 0.00 175.30 174.27 2wdi s GLY 22 N 1.37 1.94 -1.27 8.12 0.00 -1.26 -5.04 107.32 111.18 2wdi s GLY 22 Ca -0.02 -1.50 -0.09 0.00 0.00 0.00 0.00 44.72 43.11 2wdi s GLY 22 CO 0.02 0.79 1.89 -1.05 0.00 0.00 0.00 173.10 174.75 2wdi n PRO 23 N 5.06 3.73 -3.29 2.90 -0.02 -1.26 -4.82 135.00 137.29 2wdi n PRO 23 Ca -0.13 -3.57 -0.21 0.00 -2.02 0.00 0.00 63.50 57.58 2wdi n PRO 23 Cb 0.48 -2.88 -0.08 0.00 -0.02 0.00 0.00 33.50 31.00 2wdi n PRO 23 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2wdi s GLY 24 N 0.68 0.40 0.00 -1.23 0.00 -1.26 -4.67 107.32 101.25 2wdi s GLY 24 Ca 0.40 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.49 2wdi s GLY 24 CO 0.00 2.55 0.00 -1.14 0.00 0.00 0.00 173.10 174.51 2wdi n SER 25 N 3.41 0.00 -0.35 1.64 3.41 -1.26 -5.03 113.62 115.44 2wdi n SER 25 Ca 0.20 0.00 0.28 0.00 -0.26 0.00 0.00 58.87 59.09 2wdi n SER 25 Cb 0.47 0.00 0.57 0.00 -0.26 0.00 0.00 64.21 64.99 2wdi n SER 25 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2wdi h GLY 26 N 0.00 1.08 -7.34 5.00 0.00 -1.98 -3.07 103.07 96.77 2wdi h GLY 26 Ca 0.00 -0.16 -0.67 0.00 0.00 0.00 0.00 47.33 46.50 2wdi h GLY 26 CO 0.00 -0.18 -0.79 -1.58 0.00 0.00 0.00 176.54 173.98 2wdi s HIS 27 N -5.37 3.13 0.00 5.60 5.65 -1.26 -4.69 115.29 118.34 2wdi s HIS 27 Ca -0.08 -2.00 0.00 0.00 0.25 0.00 0.00 55.06 53.23 2wdi s HIS 27 Cb 0.26 -1.97 0.00 0.00 -1.18 0.00 0.00 32.58 29.69 2wdi s HIS 27 CO 0.80 -0.83 0.00 0.41 -0.65 0.00 0.00 174.74 174.47 2wdi n GLY 28 N 4.53 1.07 2.46 1.59 0.00 -1.26 -4.93 105.19 108.65 2wdi n GLY 28 Ca -0.16 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 2wdi n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdi n LYS 29 N 0.00 0.50 0.00 1.61 4.01 -1.26 -5.00 118.16 118.02 2wdi n LYS 29 Ca 0.00 -2.74 0.00 0.00 -0.51 0.00 0.00 58.31 55.06 2wdi n LYS 29 Cb 0.00 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.05 2wdi n LYS 29 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2wdi n THR 30 N 2.26 0.00 0.00 -0.18 -1.04 -1.16 -3.95 114.28 110.21 2wdi n THR 30 Ca 0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 2wdi n THR 30 Cb 0.53 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 2wdi n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wdi n ALA 31 N -3.00 0.00 0.27 2.41 0.00 -1.26 0.12 120.51 119.05 2wdi n ALA 31 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2wdi n ALA 31 Cb 0.00 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.11 2wdi n ALA 31 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2wdi h THR 32 N 0.00 0.00 -1.84 0.00 1.35 -1.88 -3.47 112.91 107.06 2wdi h THR 32 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2wdi h THR 32 Cb 0.00 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 66.96 2wdi h THR 32 CO 0.00 0.00 -0.43 -1.14 -0.25 0.00 0.00 175.52 173.70 2wdi n ARG 33 N -2.58 -2.33 0.00 4.72 3.00 0.33 -4.47 116.66 115.33 2wdi n ARG 33 Ca -0.02 1.68 0.00 0.00 -0.00 0.00 0.00 57.85 59.52 2wdi n ARG 33 Cb 0.34 -1.85 0.00 0.00 0.00 0.00 0.00 32.46 30.95 2wdi n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wdi n GLY 34 N -0.03 0.00 0.90 5.14 0.00 -1.25 -4.14 105.19 105.82 2wdi n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdi n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wdi n HIS 35 N 0.00 -0.94 -3.13 1.61 8.25 -1.26 -5.08 115.22 114.67 2wdi n HIS 35 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wdi n HIS 35 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wdi n HIS 35 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2wdi n LYS 36 N -0.40 0.00 -1.31 -0.41 5.02 -1.26 -4.79 118.16 115.02 2wdi n LYS 36 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 2wdi n LYS 36 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wdi n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdi n GLY 37 N 0.00 0.42 0.00 0.72 0.00 -1.26 -4.95 105.19 100.11 2wdi n GLY 37 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2wdi n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdi n GLN 38 N -2.44 0.00 -3.64 1.61 10.64 -1.26 -5.12 117.38 117.17 2wdi n GLN 38 Ca -0.01 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 55.13 2wdi n GLN 38 Cb 0.16 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.49 2wdi n GLN 38 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2wdi s LYS 39 N 1.18 0.10 -0.37 2.61 -0.14 -1.26 -5.00 119.74 116.87 2wdi s LYS 39 Ca 0.00 0.05 -0.02 0.00 -1.36 0.00 0.00 55.97 54.65 2wdi s LYS 39 Cb 0.00 0.05 0.00 0.00 -1.68 0.00 0.00 37.83 36.20 2wdi s LYS 39 CO 0.00 -0.02 0.32 0.45 -0.76 0.00 0.00 175.35 175.33 2wdi n SER 40 N 0.95 -2.75 -2.75 2.83 2.88 -1.26 -4.96 113.62 108.56 2wdi n SER 40 Ca -0.05 -0.16 -0.05 0.00 -1.33 0.00 0.00 58.87 57.28 2wdi n SER 40 Cb 0.58 -1.80 0.03 0.00 -0.75 0.00 0.00 64.21 62.27 2wdi n SER 40 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2wdi n ARG 41 N -1.83 0.58 0.00 -1.46 5.12 -1.26 -4.84 116.66 112.97 2wdi n ARG 41 Ca -0.03 -1.81 0.00 0.00 -1.93 0.00 0.00 57.85 54.07 2wdi n ARG 41 Cb 0.53 -1.33 0.00 0.00 -1.16 0.00 0.00 32.46 30.50 2wdi n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2wdi n SER 42 N 2.43 0.00 0.00 0.55 3.41 -1.26 -4.89 113.62 113.86 2wdi n SER 42 Ca 0.14 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2wdi n SER 42 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2wdi n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdi n GLY 43 N 0.00 -0.23 0.00 5.00 0.00 -1.26 -5.14 105.19 103.55 2wdi n GLY 43 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2wdi n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdi n GLY 44 N 0.00 1.03 3.29 -0.02 0.00 -1.26 -5.12 105.19 103.11 2wdi n GLY 44 Ca 0.00 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 2wdi n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdi s LEU 45 N -0.64 0.83 0.14 0.99 0.20 -1.26 -4.61 118.68 114.34 2wdi s LEU 45 Ca 0.00 -0.52 -0.18 0.00 0.69 0.00 0.00 54.13 54.11 2wdi s LEU 45 Cb 0.00 1.48 0.03 0.00 -0.43 0.00 0.00 46.19 47.27 2wdi s LEU 45 CO 0.00 -0.83 1.72 0.50 -0.29 0.00 0.00 176.35 177.45 2wdi h LYS 46 N 2.52 0.10 0.00 1.98 1.63 -1.99 -3.47 116.57 117.34 2wdi h LYS 46 Ca -0.33 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 2wdi h LYS 46 Cb 1.23 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2wdi h LYS 46 CO 0.50 0.06 0.00 -3.47 -3.45 0.00 0.00 179.45 173.09 2wdi n ASP 47 N -5.15 0.00 -0.06 4.20 -0.08 -1.26 -4.91 116.55 109.29 2wdi n ASP 47 Ca -0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.26 2wdi n ASP 47 Cb 0.14 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.60 2wdi n ASP 47 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2wdi h PRO 48 N 0.00 0.00 0.00 -0.67 0.13 -1.91 -3.50 132.00 126.04 2wdi h PRO 48 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2wdi h PRO 48 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2wdi h PRO 48 CO 0.00 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.31 2wdi n ARG 49 N -4.73 0.00 0.07 0.86 1.74 -1.26 0.29 116.66 113.64 2wdi n ARG 49 Ca -0.02 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.85 2wdi n ARG 49 Cb 0.07 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.39 2wdi n ARG 49 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 2wdi h ARG 50 N 0.00 0.59 -7.38 5.56 0.11 -1.97 -3.48 114.38 107.81 2wdi h ARG 50 Ca 0.00 -0.76 -0.50 0.00 0.10 0.00 0.00 59.98 58.83 2wdi h ARG 50 Cb 0.00 0.25 0.11 0.00 1.11 0.00 0.00 29.97 31.44 2wdi h ARG 50 CO 0.00 1.33 0.33 -0.06 0.10 0.00 0.00 179.97 181.68 2wdi s PHE 51 N -3.00 2.81 0.00 4.08 0.08 0.15 -4.73 117.98 117.38 2wdi s PHE 51 Ca -0.10 1.26 0.00 0.00 0.12 0.00 0.00 56.93 58.21 2wdi s PHE 51 Cb 0.05 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.44 2wdi s PHE 51 CO 0.91 -1.72 0.00 0.39 -0.10 0.00 0.00 175.22 174.70 2wdi n GLU 52 N -3.42 0.00 0.00 0.44 -0.58 -1.26 -4.77 120.64 111.04 2wdi n GLU 52 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2wdi n GLU 52 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.42 2wdi n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdi n GLY 53 N -1.44 3.52 0.00 0.62 0.00 -1.26 -4.43 105.19 102.20 2wdi n GLY 53 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2wdi n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdi n GLY 54 N 0.00 1.45 0.00 -0.02 0.00 -1.26 -5.04 105.19 100.32 2wdi n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdi n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdi n ARG 55 N -1.40 0.00 -0.92 1.61 1.74 -1.26 -4.99 116.66 111.44 2wdi n ARG 55 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 2wdi n ARG 55 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 2wdi n ARG 55 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2wdi n SER 56 N 0.00 -0.48 0.00 0.55 7.64 -1.26 -5.06 113.62 115.01 2wdi n SER 56 Ca 0.00 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 58.12 2wdi n SER 56 Cb 0.00 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2wdi n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2wdi n THR 57 N 0.06 0.00 0.00 0.44 -2.24 -1.26 -1.98 114.28 109.30 2wdi n THR 57 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2wdi n THR 57 Cb 0.71 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 2wdi n THR 57 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2wdi n THR 58 N 0.00 0.00 -0.48 4.28 -1.04 -1.26 -4.97 114.28 110.81 2wdi n THR 58 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 2wdi n THR 58 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 2wdi n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2wdi n LEU 59 N 0.00 1.59 0.10 -4.42 7.94 -0.84 -4.64 117.00 116.74 2wdi n LEU 59 Ca 0.00 -1.77 -0.04 0.00 -1.11 0.00 0.00 56.01 53.09 2wdi n LEU 59 Cb 0.00 -0.07 0.03 0.00 0.53 0.00 0.00 43.42 43.91 2wdi n LEU 59 CO 0.00 0.43 0.33 0.24 -1.11 0.00 0.00 177.39 177.28 2wdi h MET 60 N 0.00 0.00 -6.24 1.96 2.86 -1.94 -3.44 114.93 108.12 2wdi h MET 60 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 2wdi h MET 60 Cb 0.73 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.40 2wdi h MET 60 CO 0.00 0.79 1.27 2.89 1.06 0.00 0.00 176.91 182.92 2wdi n ARG 61 N -3.58 2.45 -1.46 1.72 -4.01 -1.26 -4.96 116.66 105.55 2wdi n ARG 61 Ca -0.01 0.85 -0.32 0.00 -1.04 0.00 0.00 57.85 57.34 2wdi n ARG 61 Cb 0.77 -2.95 0.07 0.00 -3.04 0.00 0.00 32.46 27.30 2wdi n ARG 61 CO 0.00 0.00 0.00 -0.48 -3.04 0.00 0.00 177.63 174.11 2wdi s LEU 62 N 5.32 3.15 -1.01 2.89 2.34 -1.26 -4.98 118.68 125.13 2wdi s LEU 62 Ca 0.93 1.83 -0.02 0.00 0.06 0.00 0.00 54.13 56.93 2wdi s LEU 62 Cb -0.49 -4.52 0.28 0.00 -0.56 0.00 0.00 46.19 40.89 2wdi s LEU 62 CO 0.43 -1.80 2.02 -0.81 -1.06 0.00 0.00 176.35 175.13 2wdi n PRO 63 N -3.13 4.57 0.00 1.48 -0.04 -1.26 -4.78 135.00 131.84 2wdi n PRO 63 Ca 0.09 -4.09 0.00 0.00 -0.04 0.00 0.00 63.50 59.46 2wdi n PRO 63 Cb 0.53 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 2wdi n PRO 63 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2wdi n LYS 64 N 0.20 0.00 -0.02 0.54 0.00 -1.26 -1.45 118.16 116.17 2wdi n LYS 64 Ca 0.51 0.28 0.00 0.00 0.00 0.00 0.00 58.31 59.10 2wdi n LYS 64 Cb 0.27 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 33.61 2wdi n LYS 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2wdi n ARG 65 N -1.26 0.21 -1.15 1.64 0.63 -1.26 -4.80 116.66 110.66 2wdi n ARG 65 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 2wdi n ARG 65 Cb 0.19 -1.39 0.06 0.00 0.45 0.00 0.00 32.46 31.77 2wdi n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wdi n GLY 66 N 1.10 -2.37 1.08 5.14 0.00 -0.53 -4.60 105.19 105.01 2wdi n GLY 66 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2wdi n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2wdi n MET 67 N 0.01 0.00 -2.42 1.61 0.00 -1.26 -5.05 117.12 110.01 2wdi n MET 67 Ca 0.07 0.36 -0.19 0.00 -0.00 0.00 0.00 57.70 57.95 2wdi n MET 67 Cb 0.51 -0.89 0.02 0.00 0.00 0.00 0.00 33.22 32.86 2wdi n MET 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2wdi n GLN 68 N -0.17 2.84 0.00 2.12 3.00 -1.26 -5.09 117.38 118.82 2wdi n GLN 68 Ca 0.00 -4.03 0.00 0.00 -0.01 0.00 0.00 57.00 52.96 2wdi n GLN 68 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 30.24 28.25 2wdi n GLN 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wdi n GLY 69 N -0.50 -2.10 0.00 1.08 0.00 -1.26 -5.07 105.19 97.34 2wdi n GLY 69 Ca 0.31 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2wdi n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wdi n GLN 70 N 0.05 2.16 -0.09 1.61 -0.06 -1.26 -5.03 117.38 114.76 2wdi n GLN 70 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 57.00 54.86 2wdi n GLN 70 Cb 0.00 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.11 2wdi n GLN 70 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 2wdi n VAL 71 N 0.00 0.98 0.50 1.69 3.14 -1.26 -4.49 118.33 118.89 2wdi n VAL 71 Ca 0.00 -0.33 0.08 0.00 -2.96 0.00 0.00 64.34 61.13 2wdi n VAL 71 Cb 0.00 -1.33 0.35 0.00 -1.06 0.00 0.00 33.84 31.81 2wdi n VAL 71 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2wdi n PRO 72 N -3.28 0.04 0.00 1.45 -0.02 -1.26 -4.97 135.00 126.95 2wdi n PRO 72 Ca -0.32 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2wdi n PRO 72 Cb 0.80 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 2wdi n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdi n GLY 73 N 0.07 0.55 3.77 -1.23 0.00 -1.26 -5.06 105.19 102.03 2wdi n GLY 73 Ca 0.03 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 2wdi n GLY 73 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wdi s GLU 74 N -0.54 4.18 -0.06 1.61 -1.05 -1.26 -4.61 118.70 116.98 2wdi s GLU 74 Ca 0.00 2.39 -0.30 0.00 -0.15 0.00 0.00 54.97 56.92 2wdi s GLU 74 Cb 0.00 -2.98 -0.04 0.00 -0.44 0.00 0.00 34.13 30.67 2wdi s GLU 74 CO 0.00 -0.40 1.34 0.42 0.95 0.00 0.00 175.26 177.57 2wdi s ILE 75 N -1.14 3.97 -0.30 1.83 1.09 -1.26 -4.95 121.20 120.44 2wdi s ILE 75 Ca 0.52 1.28 -0.29 0.00 -1.10 0.00 0.00 60.65 61.06 2wdi s ILE 75 Cb -0.43 -3.83 -0.00 0.00 -1.06 0.00 0.00 42.46 37.14 2wdi s ILE 75 CO 0.58 -0.04 1.34 -0.75 -0.10 0.00 0.00 174.94 175.97 2wdi s LYS 76 N 2.75 3.88 0.05 2.79 2.20 -1.26 -5.00 119.74 125.15 2wdi s LYS 76 Ca 0.61 1.27 -0.04 0.00 -0.36 0.00 0.00 55.97 57.45 2wdi s LYS 76 Cb -0.28 -3.90 -0.02 0.00 -1.51 0.00 0.00 37.83 32.12 2wdi s LYS 76 CO 0.23 -1.17 0.05 -0.98 -0.36 0.00 0.00 175.35 173.12 2wdi s ARG 77 N 4.27 0.60 -0.01 4.03 1.70 -1.26 -5.13 118.95 123.15 2wdi s ARG 77 Ca 0.58 -0.94 -0.32 0.00 -0.47 0.00 0.00 55.73 54.59 2wdi s ARG 77 Cb -0.17 0.23 -0.10 0.00 -0.57 0.00 0.00 34.95 34.33 2wdi s ARG 77 CO 0.24 -0.14 1.94 -0.35 -1.08 0.00 0.00 175.30 175.91 2wdi n PRO 78 N 0.50 2.60 -3.79 3.89 -0.04 -1.26 -4.99 135.00 131.91 2wdi n PRO 78 Ca -0.17 0.95 -0.36 0.00 -0.04 0.00 0.00 63.50 63.88 2wdi n PRO 78 Cb 0.60 -2.87 -0.11 0.00 -0.04 0.00 0.00 33.50 31.08 2wdi n PRO 78 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2wdi s ARG 79 N 4.28 3.88 0.10 0.54 1.70 -1.26 -5.05 118.95 123.14 2wdi s ARG 79 Ca 0.90 -0.37 -0.11 0.00 -0.47 0.00 0.00 55.73 55.68 2wdi s ARG 79 Cb -0.54 -3.39 -0.06 0.00 -0.57 0.00 0.00 34.95 30.39 2wdi s ARG 79 CO 0.46 -0.00 0.45 0.71 -1.08 0.00 0.00 175.30 175.84 2wdi s TYR 80 N 1.16 3.59 -0.18 5.89 2.02 -1.26 -3.76 117.35 124.82 2wdi s TYR 80 Ca 0.06 0.88 0.01 0.00 -0.37 0.00 0.00 57.07 57.64 2wdi s TYR 80 Cb -0.14 -2.23 0.03 0.00 -0.40 0.00 0.00 41.96 39.21 2wdi s TYR 80 CO 0.04 0.49 -0.16 -1.14 -1.57 0.00 0.00 175.55 173.21 2wdi s GLN 81 N -1.94 2.59 1.20 -0.62 2.00 -0.84 -4.97 119.66 117.08 2wdi s GLN 81 Ca 0.35 -0.77 -0.18 0.00 -2.00 0.00 0.00 55.36 52.76 2wdi s GLN 81 Cb -0.14 -2.41 0.28 0.00 0.80 0.00 0.00 33.01 31.54 2wdi s GLN 81 CO 0.18 -0.27 1.06 0.20 -0.50 0.00 0.00 175.29 175.97 2wdi s GLY 82 N 1.36 1.54 -0.30 2.59 0.00 -1.26 -2.08 107.32 109.17 2wdi s GLY 82 Ca 0.03 -0.73 -0.17 0.00 0.00 0.00 0.00 44.72 43.86 2wdi s GLY 82 CO -0.11 0.11 1.18 0.54 0.00 0.00 0.00 173.10 174.83 2wdi s VAL 83 N -2.80 -0.18 0.17 1.40 0.11 -0.66 -4.80 120.40 113.63 2wdi s VAL 83 Ca 0.69 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.44 2wdi s VAL 83 Cb -0.14 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.64 2wdi s VAL 83 CO 0.58 0.00 1.14 0.20 -3.33 0.00 0.00 175.10 173.69 2wdi s ASN 84 N 2.47 7.18 0.00 3.54 0.02 -1.20 -1.01 114.94 125.95 2wdi s ASN 84 Ca -0.02 2.14 0.00 0.00 -1.02 0.00 0.00 52.86 53.95 2wdi s ASN 84 Cb -0.05 -2.60 0.00 0.00 0.02 0.00 0.00 41.25 38.62 2wdi s ASN 84 CO -0.14 -0.30 0.32 0.00 0.02 0.00 0.00 177.10 177.00 2wdi n LEU 85 N 2.55 0.07 0.08 0.60 -0.00 -0.94 0.21 117.00 119.57 2wdi n LEU 85 Ca 0.04 -0.04 0.10 0.00 -0.00 0.00 0.00 56.01 56.12 2wdi n LEU 85 Cb 0.46 -0.04 -0.04 0.00 -0.00 0.00 0.00 43.42 43.80 2wdi n LEU 85 CO 0.55 0.02 -0.14 1.17 -0.00 0.00 0.00 177.39 178.98 2wdi n LYS 86 N -0.33 0.62 0.00 1.47 4.81 -0.87 -3.51 118.16 120.35 2wdi n LYS 86 Ca 0.00 0.07 0.08 0.00 -0.87 0.00 0.00 58.31 57.60 2wdi n LYS 86 Cb 0.02 -1.77 -0.06 0.00 0.02 0.00 0.00 35.03 33.24 2wdi n LYS 86 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2wdi n ASP 87 N -2.62 1.13 0.12 3.14 8.00 0.13 -3.99 116.55 122.45 2wdi n ASP 87 Ca -0.02 -1.06 0.02 0.00 0.71 0.00 0.00 54.79 54.44 2wdi n ASP 87 Cb 0.58 0.80 -0.00 0.00 -0.02 0.00 0.00 41.12 42.48 2wdi n ASP 87 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2wdi h LEU 88 N 0.72 0.00 -1.47 0.64 4.07 -1.62 -3.22 115.31 114.44 2wdi h LEU 88 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2wdi h LEU 88 Cb 0.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.21 2wdi h LEU 88 CO 0.00 0.52 0.09 0.00 -1.08 0.00 0.00 178.44 177.97 2wdi h ALA 89 N 1.48 1.06 0.38 1.53 0.00 -1.69 -2.87 119.26 119.15 2wdi h ALA 89 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wdi h ALA 89 Cb 1.43 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2wdi h ALA 89 CO 0.06 -0.06 -0.44 -0.09 0.00 0.00 0.00 179.25 178.72 2wdi h ARG 90 N 0.00 -0.82 -6.11 0.00 2.43 -1.82 -3.45 114.38 104.61 2wdi h ARG 90 Ca 0.00 0.06 -0.54 0.00 -0.81 0.00 0.00 59.98 58.69 2wdi h ARG 90 Cb 0.18 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 29.84 2wdi h ARG 90 CO 0.00 -0.55 -0.54 -0.59 -1.51 0.00 0.00 179.97 176.78 2wdi s PHE 91 N -5.92 2.73 0.34 2.20 -0.71 -1.09 -5.15 117.98 110.38 2wdi s PHE 91 Ca -0.17 -0.35 0.08 0.00 -1.04 0.00 0.00 56.93 55.44 2wdi s PHE 91 Cb 0.05 -1.60 -0.07 0.00 -1.21 0.00 0.00 43.02 40.20 2wdi s PHE 91 CO 0.62 0.36 -0.05 -2.00 -1.34 0.00 0.00 175.22 172.81 2wdi s GLU 92 N -3.84 1.75 0.00 1.99 2.12 -1.26 -4.98 118.70 114.48 2wdi s GLU 92 Ca 0.37 -1.92 0.00 0.00 0.36 0.00 0.00 54.97 53.78 2wdi s GLU 92 Cb -0.03 -1.47 0.00 0.00 0.26 0.00 0.00 34.13 32.89 2wdi s GLU 92 CO 0.23 0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.41 2wdi n GLY 93 N -0.76 0.61 3.20 -1.50 0.00 -1.26 -4.93 105.19 100.55 2wdi n GLY 93 Ca -0.05 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 2wdi n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wdi s GLU 94 N 0.00 2.78 -0.13 1.61 2.12 -1.26 -4.15 118.70 119.67 2wdi s GLU 94 Ca 0.00 -0.82 -0.02 0.00 0.36 0.00 0.00 54.97 54.49 2wdi s GLU 94 Cb 0.00 -2.15 -0.03 0.00 0.26 0.00 0.00 34.13 32.21 2wdi s GLU 94 CO 0.00 0.19 -0.05 0.14 -0.54 0.00 0.00 175.26 175.00 2wdi s VAL 95 N 0.29 3.81 0.10 3.70 -7.23 -1.09 -5.06 120.40 114.92 2wdi s VAL 95 Ca -0.16 -0.41 -0.10 0.00 -1.81 0.00 0.00 61.98 59.50 2wdi s VAL 95 Cb -0.17 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.15 2wdi s VAL 95 CO 0.07 0.53 0.24 0.42 -0.31 0.00 0.00 175.10 176.05 2wdi s THR 96 N -0.03 0.13 1.17 5.32 -4.23 -1.26 -1.20 115.64 115.53 2wdi s THR 96 Ca 0.01 -1.04 -0.16 0.00 -1.18 0.00 0.00 61.69 59.31 2wdi s THR 96 Cb -0.13 -1.30 0.21 0.00 1.34 0.00 0.00 72.50 72.62 2wdi s THR 96 CO 0.03 -0.57 0.50 -2.65 -0.54 0.00 0.00 174.62 171.38 2wdi n PRO 97 N -0.10 -2.23 0.00 3.99 -0.02 -1.25 -1.57 135.00 133.83 2wdi n PRO 97 Ca -0.15 -0.63 0.00 0.00 -2.02 0.00 0.00 63.50 60.70 2wdi n PRO 97 Cb 0.63 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 2wdi n PRO 97 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2wdi n GLU 98 N -3.58 0.00 0.13 -0.52 0.28 -1.26 -4.23 120.64 111.47 2wdi n GLU 98 Ca 0.01 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.80 2wdi n GLU 98 Cb 0.58 -1.19 -0.15 0.00 1.43 0.00 0.00 31.44 32.11 2wdi n GLU 98 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2wdi h LEU 99 N 0.00 0.69 -0.10 -1.84 6.46 -1.69 -2.41 115.31 116.42 2wdi h LEU 99 Ca 0.00 -0.74 -0.07 0.00 -0.12 0.00 0.00 57.88 56.95 2wdi h LEU 99 Cb 0.00 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 39.71 2wdi h LEU 99 CO 0.00 1.58 -0.20 -0.07 -0.62 0.00 0.00 178.44 179.13 2wdi h LEU 100 N 0.12 0.35 -1.19 2.25 -0.00 -1.51 -3.18 115.31 112.15 2wdi h LEU 100 Ca -0.21 -0.57 0.01 0.00 -0.00 0.00 0.00 57.88 57.11 2wdi h LEU 100 Cb 2.10 -0.10 -0.04 0.00 -0.00 0.00 0.00 40.66 42.62 2wdi h LEU 100 CO 0.25 0.85 0.55 -0.37 -0.00 0.00 0.00 178.44 179.72 2wdi h VAL 101 N -0.14 1.21 0.00 1.22 -1.51 -1.58 0.43 116.25 115.87 2wdi h VAL 101 Ca 0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 2wdi h VAL 101 Cb 0.80 -0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 2wdi h VAL 101 CO 0.05 0.20 0.00 -1.14 -1.23 0.00 0.00 177.57 175.45 2wdi n ARG 102 N -4.41 0.43 0.00 5.19 0.63 -0.91 -4.44 116.66 113.15 2wdi n ARG 102 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 2wdi n ARG 102 Cb 0.03 -1.21 0.00 0.00 0.45 0.00 0.00 32.46 31.73 2wdi n ARG 102 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdi n ALA 103 N 0.26 0.00 0.33 5.13 0.00 0.14 -5.04 120.51 121.33 2wdi n ALA 103 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2wdi n ALA 103 Cb 0.10 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.85 2wdi n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdi n GLY 104 N 0.00 -0.92 3.17 0.00 0.00 -1.25 -4.86 105.19 101.33 2wdi n GLY 104 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 2wdi n GLY 104 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wdi s LEU 105 N -3.41 2.48 0.00 0.99 2.34 -1.24 -4.97 118.68 114.87 2wdi s LEU 105 Ca 0.04 -0.94 0.00 0.00 0.06 0.00 0.00 54.13 53.29 2wdi s LEU 105 Cb 0.07 -0.14 0.00 0.00 -0.56 0.00 0.00 46.19 45.56 2wdi s LEU 105 CO 0.22 -0.40 0.00 -0.11 -1.06 0.00 0.00 176.35 175.00 2wdi n LEU 106 N 0.14 0.00 -2.86 1.48 7.94 -1.26 -2.51 117.00 119.93 2wdi n LEU 106 Ca -0.13 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.75 2wdi n LEU 106 Cb 0.60 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.53 2wdi n LEU 106 CO 0.29 0.00 -0.45 2.29 -1.11 0.00 0.00 177.39 178.41 2wdi n LYS 107 N 0.00 -2.71 -0.21 1.96 2.85 -1.26 -3.01 118.16 115.78 2wdi n LYS 107 Ca 0.00 2.26 0.00 0.00 -1.05 0.00 0.00 58.31 59.52 2wdi n LYS 107 Cb 0.00 -3.41 0.00 0.00 -0.65 0.00 0.00 35.03 30.97 2wdi n LYS 107 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2wdi n LYS 108 N 1.53 -0.59 0.00 -1.58 4.01 -1.26 -4.61 118.16 115.66 2wdi n LYS 108 Ca -0.13 0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 2wdi n LYS 108 Cb 0.30 -2.49 0.00 0.00 -0.51 0.00 0.00 35.03 32.33 2wdi n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wdi n GLY 109 N 0.11 -0.08 0.97 0.72 0.00 -1.16 -4.89 105.19 100.86 2wdi n GLY 109 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2wdi n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wdi n TYR 110 N -0.98 -2.81 0.00 1.61 9.36 -1.26 -4.54 117.16 118.54 2wdi n TYR 110 Ca 0.00 0.90 0.00 0.00 3.32 0.00 0.00 57.90 62.12 2wdi n TYR 110 Cb 0.02 -1.67 0.00 0.00 -0.63 0.00 0.00 39.34 37.07 2wdi n TYR 110 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wdi n ARG 111 N -2.63 0.00 -3.66 2.98 1.74 -1.25 -4.39 116.66 109.45 2wdi n ARG 111 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 2wdi n ARG 111 Cb 0.33 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.71 2wdi n ARG 111 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2wdi s LEU 112 N 0.00 4.38 -0.24 0.55 1.98 -1.26 -1.99 118.68 122.09 2wdi s LEU 112 Ca 0.00 0.64 0.00 0.00 -2.89 0.00 0.00 54.13 51.88 2wdi s LEU 112 Cb 0.00 -2.32 0.07 0.00 0.66 0.00 0.00 46.19 44.59 2wdi s LEU 112 CO 0.00 0.29 -0.02 -0.75 -1.89 0.00 0.00 176.35 173.99 2wdi s LYS 113 N -0.61 1.34 0.02 1.98 2.20 -0.88 -0.73 119.74 123.05 2wdi s LYS 113 Ca 0.18 -0.93 -0.18 0.00 -0.36 0.00 0.00 55.97 54.68 2wdi s LYS 113 Cb -0.14 -2.47 -0.06 0.00 -1.51 0.00 0.00 37.83 33.65 2wdi s LYS 113 CO 0.07 -0.66 0.53 -1.50 -0.36 0.00 0.00 175.35 173.43 2wdi s ILE 114 N 1.48 4.88 0.00 5.43 1.10 -0.92 -1.66 121.20 131.51 2wdi s ILE 114 Ca -0.03 1.11 0.00 0.00 -0.51 0.00 0.00 60.65 61.23 2wdi s ILE 114 Cb -0.18 -3.86 0.00 0.00 0.15 0.00 0.00 42.46 38.57 2wdi s ILE 114 CO -0.08 0.51 0.00 0.00 -2.11 0.00 0.00 174.94 173.26 2wdi n LEU 115 N 2.12 0.00 0.00 8.50 -0.00 -0.18 -3.13 117.00 124.32 2wdi n LEU 115 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 2wdi n LEU 115 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 2wdi n LEU 115 CO 0.41 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.41 2wdi n GLY 116 N 0.00 0.50 2.73 1.47 0.00 -1.26 -2.22 105.19 106.42 2wdi n GLY 116 Ca 0.00 -1.45 -0.18 0.00 0.00 0.00 0.00 46.02 44.39 2wdi n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdi n GLU 117 N 2.79 0.88 0.00 1.61 1.02 -1.26 -4.63 120.64 121.05 2wdi n GLU 117 Ca 0.00 -2.42 0.00 0.00 -0.02 0.00 0.00 57.16 54.72 2wdi n GLU 117 Cb 0.00 0.20 0.00 0.00 -0.02 0.00 0.00 31.44 31.62 2wdi n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wdi n GLY 118 N 0.21 -0.98 3.75 0.62 0.00 -1.26 -2.05 105.19 105.48 2wdi n GLY 118 Ca 0.01 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 2wdi n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdi s GLU 119 N -5.02 4.75 0.44 1.61 0.41 -1.26 -4.55 118.70 115.07 2wdi s GLU 119 Ca 0.00 1.63 -0.23 0.00 -0.41 0.00 0.00 54.97 55.96 2wdi s GLU 119 Cb 0.00 -3.25 -0.08 0.00 -1.78 0.00 0.00 34.13 29.02 2wdi s GLU 119 CO 0.00 0.35 1.12 0.00 -0.49 0.00 0.00 175.26 176.24 2wdi s ALA 120 N -1.05 3.01 -0.31 5.21 0.00 -1.25 -4.77 121.76 122.59 2wdi s ALA 120 Ca 0.43 0.85 -0.09 0.00 0.00 0.00 0.00 51.96 53.15 2wdi s ALA 120 Cb -0.29 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2wdi s ALA 120 CO 0.36 -0.49 0.13 0.15 0.00 0.00 0.00 175.76 175.90 2wdi s LYS 121 N -2.63 3.21 -0.90 0.00 1.02 -1.26 -4.96 119.74 114.21 2wdi s LYS 121 Ca 0.61 -0.80 -0.09 0.00 0.02 0.00 0.00 55.97 55.71 2wdi s LYS 121 Cb -0.26 -3.50 -0.30 0.00 -0.52 0.00 0.00 37.83 33.25 2wdi s LYS 121 CO 0.32 -0.45 1.97 -2.30 -0.92 0.00 0.00 175.35 173.97 2wdi n PRO 122 N 4.94 0.00 -3.61 -1.68 -0.02 -1.18 -4.78 135.00 128.66 2wdi n PRO 122 Ca -0.14 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.23 2wdi n PRO 122 Cb 0.48 -0.93 -0.06 0.00 -0.02 0.00 0.00 33.50 32.97 2wdi n PRO 122 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2wdi s LEU 123 N 0.50 -0.47 -0.01 2.45 0.05 -1.21 -4.83 118.68 115.16 2wdi s LEU 123 Ca 1.19 0.80 -0.30 0.00 0.05 0.00 0.00 54.13 55.87 2wdi s LEU 123 Cb -0.79 1.98 -0.06 0.00 -2.05 0.00 0.00 46.19 45.27 2wdi s LEU 123 CO 0.51 -0.24 1.61 -0.75 -0.55 0.00 0.00 176.35 176.93 2wdi s LYS 124 N -0.17 4.20 -0.05 1.48 2.20 -1.26 -3.63 119.74 122.51 2wdi s LYS 124 Ca 0.01 2.19 0.06 0.00 -0.36 0.00 0.00 55.97 57.86 2wdi s LYS 124 Cb -0.04 -3.80 -0.02 0.00 -1.51 0.00 0.00 37.83 32.46 2wdi s LYS 124 CO -0.03 -0.77 -0.22 0.14 -0.36 0.00 0.00 175.35 174.11 2wdi s VAL 125 N 3.36 2.30 -0.26 4.02 -7.23 -1.26 -2.66 120.40 118.67 2wdi s VAL 125 Ca 0.72 -0.99 -0.05 0.00 -1.81 0.00 0.00 61.98 59.86 2wdi s VAL 125 Cb -0.35 -1.85 0.01 0.00 0.56 0.00 0.00 36.38 34.75 2wdi s VAL 125 CO 0.30 0.57 0.01 -0.69 -0.31 0.00 0.00 175.10 174.98 2wdi s VAL 126 N -0.31 3.55 0.26 1.32 1.01 -0.34 -3.51 120.40 122.38 2wdi s VAL 126 Ca 0.01 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.34 2wdi s VAL 126 Cb -0.13 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 2wdi s VAL 126 CO 0.02 0.23 0.10 0.00 0.00 0.00 0.00 175.10 175.45 2wdi n ALA 127 N 4.80 0.38 0.46 5.51 0.00 -0.64 -3.85 120.51 127.17 2wdi n ALA 127 Ca -0.16 -1.35 0.05 0.00 0.00 0.00 0.00 53.44 51.98 2wdi n ALA 127 Cb 0.49 0.92 0.02 0.00 0.00 0.00 0.00 19.45 20.88 2wdi n ALA 127 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wdi n HIS 128 N -0.59 0.00 -3.58 0.00 -0.00 0.09 -4.07 115.22 107.06 2wdi n HIS 128 Ca -0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.61 2wdi n HIS 128 Cb 0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.35 2wdi n HIS 128 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2wdi s ALA 129 N -1.21 -1.98 0.01 -1.41 0.00 -1.10 -4.70 121.76 111.37 2wdi s ALA 129 Ca 0.10 1.59 0.01 0.00 0.00 0.00 0.00 51.96 53.66 2wdi s ALA 129 Cb 0.09 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 2wdi s ALA 129 CO 0.22 -0.38 -0.03 -0.06 0.00 0.00 0.00 175.76 175.51 2wdi s PHE 130 N -1.50 0.26 0.17 0.00 0.08 -1.26 -2.17 117.98 113.56 2wdi s PHE 130 Ca 0.03 -0.28 -0.29 0.00 0.12 0.00 0.00 56.93 56.51 2wdi s PHE 130 Cb -0.01 -0.17 -0.08 0.00 -0.57 0.00 0.00 43.02 42.20 2wdi s PHE 130 CO -0.02 -0.08 0.90 -1.54 -0.10 0.00 0.00 175.22 174.38 2wdi s SER 131 N -0.77 7.53 0.42 1.36 1.04 -1.18 -4.87 113.70 117.21 2wdi s SER 131 Ca -0.07 1.81 0.28 0.00 0.48 0.00 0.00 55.95 58.46 2wdi s SER 131 Cb -0.05 -2.57 1.44 0.00 0.10 0.00 0.00 66.02 64.93 2wdi s SER 131 CO -0.00 0.09 1.58 0.11 0.98 0.00 0.00 173.24 176.00 2wdi h LYS 132 N 4.71 0.02 0.35 4.02 1.57 -2.00 0.32 116.57 125.57 2wdi h LYS 132 Ca -0.45 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.32 2wdi h LYS 132 Cb 1.20 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2wdi h LYS 132 CO 0.69 0.01 -0.17 1.03 -0.57 0.00 0.00 179.45 180.44 2wdi h SER 133 N 0.02 -0.40 0.18 0.86 0.87 -1.96 -2.89 113.55 110.22 2wdi h SER 133 Ca 0.87 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.29 2wdi h SER 133 Cb 2.61 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 64.68 2wdi h SER 133 CO -0.56 -0.07 0.00 0.00 -0.53 0.00 0.00 176.83 175.66 2wdi h ALA 134 N -0.25 1.00 -0.26 6.23 0.00 -0.69 0.22 119.26 125.51 2wdi h ALA 134 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2wdi h ALA 134 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2wdi h ALA 134 CO 0.08 0.00 -0.49 1.25 0.00 0.00 0.00 179.25 180.09 2wdi h LEU 135 N 0.00 0.79 0.40 0.00 7.12 -0.95 -2.70 115.31 119.97 2wdi h LEU 135 Ca 0.00 -0.40 -0.02 0.00 0.13 0.00 0.00 57.88 57.59 2wdi h LEU 135 Cb 0.09 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.00 2wdi h LEU 135 CO 0.00 1.15 -0.19 -0.33 -0.13 0.00 0.00 178.44 178.94 2wdi h GLU 136 N 0.57 -0.52 -1.08 1.25 4.39 -0.51 0.12 114.58 118.80 2wdi h GLU 136 Ca 0.03 0.04 0.30 0.00 0.34 0.00 0.00 59.36 60.06 2wdi h GLU 136 Cb 1.06 0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.76 2wdi h GLU 136 CO 0.10 -0.34 0.75 0.87 -1.16 0.00 0.00 179.01 179.23 2wdi h LYS 137 N -0.90 0.14 0.00 2.33 1.57 -1.58 0.32 116.57 118.44 2wdi h LYS 137 Ca -0.05 -0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.49 2wdi h LYS 137 Cb 0.41 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 2wdi h LYS 137 CO 0.09 0.09 -1.32 1.25 -0.57 0.00 0.00 179.45 178.99 2wdi h LEU 138 N 0.14 0.00 -0.95 2.94 5.85 -1.50 -3.33 115.31 118.46 2wdi h LEU 138 Ca 0.55 0.00 0.25 0.00 0.84 0.00 0.00 57.88 59.52 2wdi h LEU 138 Cb 1.90 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.80 2wdi h LEU 138 CO -0.11 0.88 0.49 0.50 -0.34 0.00 0.00 178.44 179.86 2wdi h LYS 139 N 0.00 0.43 -2.94 1.25 3.64 0.24 -2.22 116.57 116.97 2wdi h LYS 139 Ca -0.15 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.03 2wdi h LYS 139 Cb 1.80 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.51 2wdi h LYS 139 CO 0.09 0.29 0.96 0.00 -2.27 0.00 0.00 179.45 178.51 2wdi n ALA 140 N -2.40 3.64 -0.27 5.00 0.00 -1.17 -4.39 120.51 120.92 2wdi n ALA 140 Ca 0.25 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.57 2wdi n ALA 140 Cb 0.75 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2wdi n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdi n ALA 141 N 3.39 -0.61 0.00 0.00 0.00 -0.85 -4.66 120.51 117.79 2wdi n ALA 141 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2wdi n ALA 141 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2wdi n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdi n GLY 142 N 1.29 -0.92 3.28 0.00 0.00 -1.15 -3.10 105.19 104.60 2wdi n GLY 142 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 2wdi n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdi s GLY 143 N 0.00 -0.17 -0.27 -0.02 0.00 -1.24 -4.39 107.32 101.23 2wdi s GLY 143 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 44.72 44.75 2wdi s GLY 143 CO 0.00 -0.29 1.19 -2.21 0.00 0.00 0.00 173.10 171.79 2wdi n GLU 144 N 0.17 3.08 -1.73 2.90 2.13 -1.26 -4.33 120.64 121.60 2wdi n GLU 144 Ca -0.17 -3.94 -0.40 0.00 0.66 0.00 0.00 57.16 53.31 2wdi n GLU 144 Cb 0.62 -2.09 -0.03 0.00 0.27 0.00 0.00 31.44 30.21 2wdi n GLU 144 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2wdi s PRO 145 N -3.49 2.71 0.00 5.31 0.02 -1.23 -4.85 135.00 133.47 2wdi s PRO 145 Ca 0.47 1.47 0.00 0.00 0.02 0.00 0.00 61.00 62.96 2wdi s PRO 145 Cb 0.40 -4.42 0.00 0.00 0.02 0.00 0.00 34.50 30.50 2wdi s PRO 145 CO 0.01 -2.59 0.00 1.55 -0.33 0.00 0.00 177.00 175.64 2wdi n VAL 146 N 7.70 0.00 0.00 3.83 3.14 -1.26 -1.61 118.33 130.13 2wdi n VAL 146 Ca 0.30 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.68 2wdi n VAL 146 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 2wdi n VAL 146 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2wdi n LEU 147 N 0.00 0.00 0.00 6.55 7.94 -1.26 -4.65 117.00 125.58 2wdi n LEU 147 Ca 0.00 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.02 2wdi n LEU 147 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 2wdi n LEU 147 CO 0.00 0.00 -0.16 0.18 -1.11 0.00 0.00 177.39 176.30 2wdi n LEU 148 N 0.00 0.00 -0.84 -1.96 4.77 -1.26 -4.82 117.00 112.89 2wdi n LEU 148 Ca 0.00 0.92 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 2wdi n LEU 148 Cb 0.00 -2.71 0.00 0.00 -2.33 0.00 0.00 43.42 38.38 2wdi n LEU 148 CO 0.00 -1.85 -0.15 -0.62 -1.33 0.00 0.00 177.39 173.44 2wdi n GLU 149 N -2.85 -1.70 0.00 3.23 -0.58 -1.26 -5.12 120.64 112.36 2wdi n GLU 149 Ca 0.01 1.43 0.00 0.00 -0.42 0.00 0.00 57.16 58.18 2wdi n GLU 149 Cb 0.39 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 2wdi n GLU 149 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65