#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi h ASN 2 N 0.00 0.00 -2.12 6.12 2.35 -2.04 -2.80 115.58 117.09 2wdi h ASN 2 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 2wdi h ASN 2 Cb 0.00 0.00 -0.36 0.00 0.05 0.00 0.00 38.32 38.01 2wdi h ASN 2 CO 0.00 0.00 -0.95 0.54 -1.65 0.00 0.00 177.43 175.37 2wdi n ARG 3 N -3.70 0.31 0.22 0.81 5.12 -1.26 -4.92 116.66 113.25 2wdi n ARG 3 Ca 0.17 -3.04 0.05 0.00 -1.93 0.00 0.00 57.85 53.10 2wdi n ARG 3 Cb 1.04 -1.57 0.28 0.00 -1.16 0.00 0.00 32.46 31.05 2wdi n ARG 3 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2wdi h GLY 4 N 5.27 0.00 0.00 -0.13 0.00 -1.94 0.08 103.07 106.34 2wdi h GLY 4 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2wdi h GLY 4 CO 0.35 0.00 -0.25 0.00 0.00 0.00 0.00 176.54 176.64 2wdi h ALA 5 N 0.68 0.00 -0.72 3.60 0.00 -1.91 -3.31 119.26 117.59 2wdi h ALA 5 Ca 0.00 -0.34 0.21 0.00 0.00 0.00 0.00 54.91 54.78 2wdi h ALA 5 Cb 1.10 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 2wdi h ALA 5 CO 0.00 0.25 0.70 1.25 0.00 0.00 0.00 179.25 181.45 2wdi h LEU 6 N -0.57 0.00 0.68 0.00 6.46 -1.51 0.23 115.31 120.59 2wdi h LEU 6 Ca 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 2wdi h LEU 6 Cb 0.25 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.19 2wdi h LEU 6 CO 0.00 0.00 -0.33 0.40 -0.62 0.00 0.00 178.44 177.89 2wdi h ILE 7 N 0.00 0.00 -0.61 4.05 1.08 -1.22 -2.50 117.51 118.31 2wdi h ILE 7 Ca 0.34 -0.10 0.13 0.00 -0.39 0.00 0.00 64.86 64.84 2wdi h ILE 7 Cb 1.75 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 35.39 2wdi h ILE 7 CO -0.00 0.00 -0.02 0.11 -0.69 0.00 0.00 178.15 177.55 2wdi h LYS 8 N -1.01 0.10 -0.76 2.37 1.57 -0.68 0.71 116.57 118.86 2wdi h LYS 8 Ca -0.09 -0.01 0.22 0.00 -1.87 0.00 0.00 60.65 58.90 2wdi h LYS 8 Cb 0.70 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 2wdi h LYS 8 CO 0.15 0.06 0.73 -0.07 -0.57 0.00 0.00 179.45 179.75 2wdi h LEU 9 N 0.10 0.00 0.11 2.94 3.38 -1.20 0.27 115.31 120.91 2wdi h LEU 9 Ca 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 2wdi h LEU 9 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2wdi h LEU 9 CO -0.54 0.00 -0.05 0.58 0.09 0.00 0.00 178.44 178.52 2wdi h VAL 10 N 0.00 1.08 0.00 1.22 2.07 0.90 -3.12 116.25 118.39 2wdi h VAL 10 Ca 0.36 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2wdi h VAL 10 Cb 1.81 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 2wdi h VAL 10 CO -0.00 0.28 0.43 -0.33 0.02 0.00 0.00 177.57 177.96 2wdi h GLU 11 N -0.77 0.00 -3.06 1.57 3.07 -0.82 -3.24 114.58 111.33 2wdi h GLU 11 Ca -0.01 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 58.37 2wdi h GLU 11 Cb 0.56 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.48 2wdi h GLU 11 CO 0.02 0.00 2.75 0.43 -1.40 0.00 0.00 179.01 180.81 2wdi n SER 12 N -2.52 6.54 -0.93 1.42 7.64 -1.12 -4.55 113.62 120.10 2wdi n SER 12 Ca -0.01 -2.43 0.05 0.00 1.01 0.00 0.00 58.87 57.49 2wdi n SER 12 Cb 0.46 -1.31 0.18 0.00 -1.01 0.00 0.00 64.21 62.53 2wdi n SER 12 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2wdi n ARG 13 N 3.68 2.38 -2.19 1.43 3.00 -1.23 -3.86 116.66 119.87 2wdi n ARG 13 Ca 0.58 -1.44 -0.29 0.00 -0.00 0.00 0.00 57.85 56.70 2wdi n ARG 13 Cb 0.27 -1.58 0.02 0.00 0.00 0.00 0.00 32.46 31.17 2wdi n ARG 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2wdi n TYR 14 N 0.45 3.18 -4.53 -0.14 4.02 -1.26 -5.01 117.16 113.86 2wdi n TYR 14 Ca 0.13 -2.77 -0.33 0.00 -0.01 0.00 0.00 57.90 54.91 2wdi n TYR 14 Cb 0.51 -0.45 -0.13 0.00 -0.02 0.00 0.00 39.34 39.25 2wdi n TYR 14 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2wdi s VAL 15 N -5.20 3.49 0.00 -0.72 0.11 -1.25 -4.81 120.40 112.02 2wdi s VAL 15 Ca 0.51 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 2wdi s VAL 15 Cb 0.42 -2.51 0.00 0.00 -1.53 0.00 0.00 36.38 32.76 2wdi s VAL 15 CO -0.17 0.50 0.00 0.54 -3.33 0.00 0.00 175.10 172.64 2wdi n ARG 16 N 3.61 1.04 0.00 1.54 5.12 -1.26 -5.01 116.66 121.71 2wdi n ARG 16 Ca -0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 2wdi n ARG 16 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 2wdi n ARG 16 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2wdi n THR 17 N -0.02 0.00 0.10 0.55 5.66 -1.26 -5.01 114.28 114.30 2wdi n THR 17 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2wdi n THR 17 Cb 0.00 0.00 0.30 0.00 -1.55 0.00 0.00 70.33 69.08 2wdi n THR 17 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 2wdi h ASP 18 N 0.00 0.25 -3.90 1.09 2.03 -1.99 -3.46 116.42 110.44 2wdi h ASP 18 Ca 0.00 -0.08 -0.52 0.00 -0.73 0.00 0.00 57.03 55.71 2wdi h ASP 18 Cb 0.00 -0.07 0.06 0.00 -0.83 0.00 0.00 39.33 38.49 2wdi h ASP 18 CO 0.00 0.51 0.57 -0.76 -1.03 0.00 0.00 179.24 178.54 2wdi s LEU 19 N -8.53 4.33 0.44 0.15 1.02 -1.26 -4.98 118.68 109.85 2wdi s LEU 19 Ca -0.05 2.53 -0.24 0.00 0.02 0.00 0.00 54.13 56.38 2wdi s LEU 19 Cb 0.14 -3.80 -0.09 0.00 0.02 0.00 0.00 46.19 42.46 2wdi s LEU 19 CO 0.75 -0.59 1.23 -2.65 0.02 0.00 0.00 176.35 175.11 2wdi n PRO 20 N 0.51 1.76 -3.17 1.29 -0.02 -1.26 -4.97 135.00 129.14 2wdi n PRO 20 Ca 0.02 0.63 -0.39 0.00 -2.02 0.00 0.00 63.50 61.74 2wdi n PRO 20 Cb 0.44 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.52 2wdi n PRO 20 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2wdi s GLU 21 N -2.28 4.35 0.28 -0.52 2.12 -1.26 -5.03 118.70 116.36 2wdi s GLU 21 Ca 0.63 0.78 -0.02 0.00 0.36 0.00 0.00 54.97 56.71 2wdi s GLU 21 Cb -0.50 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.51 2wdi s GLU 21 CO 0.56 0.31 0.35 -0.59 -0.54 0.00 0.00 175.26 175.35 2wdi s PHE 22 N -0.02 1.07 0.17 5.30 -0.12 -1.26 -5.16 117.98 117.95 2wdi s PHE 22 Ca 0.32 -1.27 -0.15 0.00 -0.05 0.00 0.00 56.93 55.79 2wdi s PHE 22 Cb -0.18 -0.27 0.02 0.00 -0.63 0.00 0.00 43.02 41.96 2wdi s PHE 22 CO 0.18 -0.93 0.43 -0.98 -0.05 0.00 0.00 175.22 173.87 2wdi s ARG 23 N -3.62 1.23 0.00 1.99 1.70 -1.26 -5.02 118.95 113.98 2wdi s ARG 23 Ca 0.33 -0.88 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 2wdi s ARG 23 Cb 0.02 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.87 2wdi s ARG 23 CO 0.17 -0.50 0.00 -2.30 -1.08 0.00 0.00 175.30 171.59 2wdi n PRO 24 N -0.28 0.00 0.00 3.89 -0.02 -1.26 -4.06 135.00 133.28 2wdi n PRO 24 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2wdi n PRO 24 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 2wdi n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdi n GLY 25 N 0.00 1.65 3.02 -1.23 0.00 -1.26 -4.69 105.19 102.67 2wdi n GLY 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdi n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wdi s ASP 26 N -1.00 -1.20 0.00 1.61 3.68 -1.20 -3.86 116.67 114.70 2wdi s ASP 26 Ca 0.00 -0.78 0.00 0.00 2.13 0.00 0.00 52.55 53.90 2wdi s ASP 26 Cb 0.00 1.54 0.00 0.00 -1.45 0.00 0.00 42.92 43.01 2wdi s ASP 26 CO 0.00 -0.11 0.00 1.07 0.13 0.00 0.00 175.17 176.26 2wdi n THR 27 N 3.93 0.00 0.00 1.71 5.66 -1.25 -2.98 114.28 121.35 2wdi n THR 27 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 2wdi n THR 27 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 2wdi n THR 27 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2wdi n VAL 28 N 0.00 0.00 0.00 1.08 0.31 -1.24 -1.89 118.33 116.59 2wdi n VAL 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wdi n VAL 28 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wdi n VAL 28 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wdi n ARG 29 N 0.00 0.00 0.00 5.55 3.00 -0.61 -4.25 116.66 120.35 2wdi n ARG 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2wdi n ARG 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2wdi n ARG 29 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2wdi n VAL 30 N -0.45 0.00 0.00 5.15 0.24 -1.26 -4.46 118.33 117.55 2wdi n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wdi n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2wdi n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2wdi n SER 31 N 0.00 0.00 0.08 -1.34 3.41 0.12 -4.57 113.62 111.33 2wdi n SER 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wdi n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wdi n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wdi n TYR 32 N 0.00 -3.03 -1.68 7.33 -0.00 -1.26 -3.93 117.16 114.60 2wdi n TYR 32 Ca 0.00 0.58 0.00 0.00 -0.00 0.00 0.00 57.90 58.48 2wdi n TYR 32 Cb 0.00 1.71 0.00 0.00 -0.00 0.00 0.00 39.34 41.05 2wdi n TYR 32 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2wdi n LYS 33 N -2.77 -4.01 -4.89 -3.48 4.76 -1.25 -3.07 118.16 103.44 2wdi n LYS 33 Ca 0.00 2.95 -0.32 0.00 -2.87 0.00 0.00 58.31 58.07 2wdi n LYS 33 Cb 0.00 -3.41 -0.17 0.00 -1.84 0.00 0.00 35.03 29.61 2wdi n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wdi s VAL 34 N -2.86 2.10 -1.84 -0.18 1.01 -1.25 -3.92 120.40 113.46 2wdi s VAL 34 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2wdi s VAL 34 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2wdi s VAL 34 CO 0.00 0.55 0.00 2.29 0.00 0.00 0.00 175.10 177.94 2wdi n LYS 35 N 3.83 -0.65 -0.75 2.72 2.85 -1.25 -4.92 118.16 119.99 2wdi n LYS 35 Ca -0.20 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 2wdi n LYS 35 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 2wdi n LYS 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2wdi n GLU 36 N 0.00 -1.31 0.00 -1.58 2.13 -1.26 0.33 120.64 118.95 2wdi n GLU 36 Ca 0.00 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.12 2wdi n GLU 36 Cb 0.00 -4.56 0.00 0.00 0.27 0.00 0.00 31.44 27.15 2wdi n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wdi n GLY 37 N 0.00 3.00 3.07 8.31 0.00 -1.26 -4.93 105.19 113.38 2wdi n GLY 37 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2wdi n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdi s ASN 38 N -0.77 4.97 0.00 1.61 4.22 0.15 -5.04 114.94 120.08 2wdi s ASN 38 Ca 0.00 -2.04 0.00 0.00 -2.14 0.00 0.00 52.86 48.68 2wdi s ASN 38 Cb 0.00 -1.71 0.00 0.00 1.28 0.00 0.00 41.25 40.82 2wdi s ASN 38 CO 0.00 -0.44 0.15 0.54 -2.04 0.00 0.00 177.10 175.32 2wdi n ARG 39 N 4.42 0.00 -0.34 3.55 1.74 -1.23 -4.13 116.66 120.66 2wdi n ARG 39 Ca 0.00 0.15 -0.13 0.00 -0.77 0.00 0.00 57.85 57.10 2wdi n ARG 39 Cb 0.42 -0.29 -0.02 0.00 -1.02 0.00 0.00 32.46 31.55 2wdi n ARG 39 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2wdi n THR 40 N -0.86 0.00 0.00 0.55 -2.24 -1.25 -3.77 114.28 106.71 2wdi n THR 40 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wdi n THR 40 Cb 0.00 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 2wdi n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wdi n ARG 41 N 0.48 0.00 -1.82 -0.78 0.00 -1.18 -4.86 116.66 108.51 2wdi n ARG 41 Ca 0.05 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.51 2wdi n ARG 41 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.44 2wdi n ARG 41 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 2wdi s ILE 42 N 0.00 3.22 0.16 5.15 -5.25 -1.22 -3.94 121.20 119.31 2wdi s ILE 42 Ca 0.00 0.16 -0.06 0.00 -0.99 0.00 0.00 60.65 59.76 2wdi s ILE 42 Cb 0.00 -3.47 -0.06 0.00 2.95 0.00 0.00 42.46 41.89 2wdi s ILE 42 CO 0.00 -0.41 0.41 -1.58 -1.79 0.00 0.00 174.94 171.57 2wdi s GLN 43 N 7.14 3.66 0.18 0.37 0.74 -1.26 -4.85 119.66 125.64 2wdi s GLN 43 Ca 0.84 -0.01 0.04 0.00 0.05 0.00 0.00 55.36 56.28 2wdi s GLN 43 Cb -0.18 -2.81 -0.03 0.00 1.10 0.00 0.00 33.01 31.08 2wdi s GLN 43 CO 0.26 0.44 0.28 -0.51 -0.55 0.00 0.00 175.29 175.21 2wdi s ASP 44 N -2.39 6.18 -0.32 6.67 1.11 -1.26 0.11 116.67 126.77 2wdi s ASP 44 Ca 0.42 0.09 -0.01 0.00 0.18 0.00 0.00 52.55 53.23 2wdi s ASP 44 Cb -0.12 -1.81 0.13 0.00 1.07 0.00 0.00 42.92 42.19 2wdi s ASP 44 CO 0.24 0.02 0.23 0.12 1.18 0.00 0.00 175.17 176.96 2wdi s PHE 45 N -1.82 0.19 0.02 4.23 5.36 -1.26 -4.86 117.98 119.85 2wdi s PHE 45 Ca 0.34 -0.98 -0.25 0.00 -0.96 0.00 0.00 56.93 55.08 2wdi s PHE 45 Cb -0.10 -0.73 -0.05 0.00 -0.34 0.00 0.00 43.02 41.80 2wdi s PHE 45 CO 0.28 -0.87 0.77 -2.00 -1.46 0.00 0.00 175.22 171.93 2wdi s GLU 46 N 1.69 4.49 0.00 10.12 2.12 -1.26 -1.58 118.70 134.28 2wdi s GLU 46 Ca 0.13 1.06 0.00 0.00 0.36 0.00 0.00 54.97 56.52 2wdi s GLU 46 Cb -0.18 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.83 2wdi s GLU 46 CO -0.18 0.22 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 2wdi n GLY 47 N 2.56 0.46 3.75 -1.50 0.00 -1.26 -4.66 105.19 104.54 2wdi n GLY 47 Ca -0.02 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 2wdi n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdi s ILE 48 N -2.00 4.06 -0.57 -0.61 1.09 -0.77 -3.63 121.20 118.76 2wdi s ILE 48 Ca 0.00 1.95 -0.23 0.00 -1.10 0.00 0.00 60.65 61.27 2wdi s ILE 48 Cb 0.00 -4.24 0.05 0.00 -1.06 0.00 0.00 42.46 37.20 2wdi s ILE 48 CO 0.00 0.42 0.93 0.54 -0.10 0.00 0.00 174.94 176.72 2wdi s VAL 49 N -0.82 4.40 0.07 2.92 0.11 -1.25 -0.29 120.40 125.55 2wdi s VAL 49 Ca 0.44 0.10 -0.04 0.00 -2.93 0.00 0.00 61.98 59.54 2wdi s VAL 49 Cb -0.27 -4.55 -0.28 0.00 -1.53 0.00 0.00 36.38 29.75 2wdi s VAL 49 CO 0.33 -1.17 1.14 0.40 -3.33 0.00 0.00 175.10 172.47 2wdi h ILE 50 N 6.00 1.50 -2.15 7.04 5.03 -1.57 -3.38 117.51 129.98 2wdi h ILE 50 Ca -0.27 -3.07 0.01 0.00 -0.12 0.00 0.00 64.86 61.41 2wdi h ILE 50 Cb 1.07 2.94 -0.22 0.00 -3.03 0.00 0.00 36.82 37.58 2wdi h ILE 50 CO 1.10 0.89 -0.12 -0.60 -0.68 0.00 0.00 178.15 178.74 2wdi s ARG 51 N -2.66 0.57 -0.22 2.37 3.00 -1.21 -2.70 118.95 118.10 2wdi s ARG 51 Ca -0.04 1.23 -0.03 0.00 -1.00 0.00 0.00 55.73 55.89 2wdi s ARG 51 Cb 0.07 0.40 0.00 0.00 0.00 0.00 0.00 34.95 35.42 2wdi s ARG 51 CO 0.88 -0.18 -0.06 0.42 0.00 0.00 0.00 175.30 176.36 2wdi s ILE 52 N 2.17 3.13 -0.31 4.11 1.01 -1.26 -0.15 121.20 129.90 2wdi s ILE 52 Ca -0.07 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 59.92 2wdi s ILE 52 Cb -0.09 -2.46 0.08 0.00 0.01 0.00 0.00 42.46 40.00 2wdi s ILE 52 CO -0.18 0.37 -0.01 -0.60 0.00 0.00 0.00 174.94 174.53 2wdi s ARG 53 N 1.42 2.00 0.52 2.79 3.00 0.13 -4.98 118.95 123.83 2wdi s ARG 53 Ca 0.04 -1.55 -0.19 0.00 -1.00 0.00 0.00 55.73 53.03 2wdi s ARG 53 Cb -0.15 -3.11 -0.07 0.00 0.00 0.00 0.00 34.95 31.63 2wdi s ARG 53 CO -0.05 -0.75 1.04 1.03 0.00 0.00 0.00 175.30 176.58 2wdi s ARG 54 N 1.06 3.66 -0.01 5.12 0.52 -1.26 -1.79 118.95 126.25 2wdi s ARG 54 Ca -0.00 1.30 0.00 0.00 -0.52 0.00 0.00 55.73 56.51 2wdi s ARG 54 Cb -0.20 -2.08 0.01 0.00 0.52 0.00 0.00 34.95 33.21 2wdi s ARG 54 CO -0.05 -0.55 0.38 -1.71 0.02 0.00 0.00 175.30 173.40 2wdi n ASN 55 N -1.31 -0.06 0.00 0.23 5.15 -1.26 -4.92 115.26 113.08 2wdi n ASN 55 Ca 0.09 -0.74 0.00 0.00 -0.60 0.00 0.00 54.58 53.33 2wdi n ASN 55 Cb 0.53 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.80 2wdi n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wdi n GLY 56 N -0.05 0.28 3.96 8.20 0.00 -1.26 -4.40 105.19 111.93 2wdi n GLY 56 Ca -0.01 0.70 -0.25 0.00 0.00 0.00 0.00 46.02 46.46 2wdi n GLY 56 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wdi s PHE 57 N 0.00 2.17 0.00 1.61 5.99 -1.26 -4.10 117.98 122.39 2wdi s PHE 57 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 56.93 57.00 2wdi s PHE 57 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 43.02 39.82 2wdi s PHE 57 CO 0.00 -1.65 0.00 0.27 -0.00 0.00 0.00 175.22 173.84 2wdi n ASN 58 N -2.94 -0.45 -4.73 6.13 0.23 -1.26 -4.84 115.26 107.39 2wdi n ASN 58 Ca 0.12 0.23 -0.41 0.00 -0.53 0.00 0.00 54.58 53.99 2wdi n ASN 58 Cb 0.60 -0.59 -0.04 0.00 -2.08 0.00 0.00 39.78 37.67 2wdi n ASN 58 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2wdi s THR 59 N -1.18 4.66 0.51 5.53 -4.23 -1.26 -4.83 115.64 114.85 2wdi s THR 59 Ca 0.00 1.94 0.05 0.00 -1.18 0.00 0.00 61.69 62.51 2wdi s THR 59 Cb 0.00 -4.26 0.01 0.00 1.34 0.00 0.00 72.50 69.59 2wdi s THR 59 CO 0.00 0.29 0.32 0.42 -0.54 0.00 0.00 174.62 175.11 2wdi s THR 60 N 0.25 1.81 -0.06 3.99 -4.23 -0.74 -4.17 115.64 112.49 2wdi s THR 60 Ca 0.46 -1.57 -0.22 0.00 -1.18 0.00 0.00 61.69 59.18 2wdi s THR 60 Cb -0.22 -2.38 0.05 0.00 1.34 0.00 0.00 72.50 71.29 2wdi s THR 60 CO 0.27 0.00 0.49 0.72 -0.54 0.00 0.00 174.62 175.57 2wdi s PHE 61 N -2.73 -0.44 0.08 3.99 -0.00 -0.64 0.20 117.98 118.46 2wdi s PHE 61 Ca 0.33 0.80 0.09 0.00 -0.00 0.00 0.00 56.93 58.15 2wdi s PHE 61 Cb -0.01 0.24 -0.04 0.00 -0.00 0.00 0.00 43.02 43.21 2wdi s PHE 61 CO 0.20 -0.46 -0.20 0.95 -0.00 0.00 0.00 175.22 175.71 2wdi s THR 62 N -1.01 2.68 -0.05 -4.49 -4.23 0.79 -0.87 115.64 108.45 2wdi s THR 62 Ca -0.10 -1.41 0.06 0.00 -1.18 0.00 0.00 61.69 59.06 2wdi s THR 62 Cb -0.03 -2.17 -0.01 0.00 1.34 0.00 0.00 72.50 71.63 2wdi s THR 62 CO 0.06 0.21 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.42 2wdi s VAL 63 N -1.02 1.96 -0.17 2.29 1.01 -0.20 -1.44 120.40 122.82 2wdi s VAL 63 Ca 0.16 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 2wdi s VAL 63 Cb -0.10 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 2wdi s VAL 63 CO 0.07 0.55 -0.03 -0.60 0.00 0.00 0.00 175.10 175.09 2wdi s ARG 64 N -0.14 3.63 0.16 2.72 6.06 0.60 -1.33 118.95 130.66 2wdi s ARG 64 Ca -0.03 -0.53 0.00 0.00 -2.50 0.00 0.00 55.73 52.67 2wdi s ARG 64 Cb -0.13 -2.97 -0.04 0.00 0.06 0.00 0.00 34.95 31.86 2wdi s ARG 64 CO 0.03 0.14 0.05 0.21 -2.50 0.00 0.00 175.30 173.23 2wdi s LYS 65 N 0.65 1.07 -0.70 5.12 2.47 0.12 -1.85 119.74 126.61 2wdi s LYS 65 Ca -0.02 -1.52 0.05 0.00 -1.56 0.00 0.00 55.97 52.92 2wdi s LYS 65 Cb -0.14 0.03 0.17 0.00 -1.46 0.00 0.00 37.83 36.43 2wdi s LYS 65 CO 0.02 -0.24 0.50 0.28 0.16 0.00 0.00 175.35 176.08 2wdi n VAL 66 N -0.20 1.65 -2.02 4.02 0.31 -1.26 0.29 118.33 121.12 2wdi n VAL 66 Ca -0.04 -4.87 -0.37 0.00 -0.01 0.00 0.00 64.34 59.05 2wdi n VAL 66 Cb 0.64 -2.18 -0.03 0.00 -0.91 0.00 0.00 33.84 31.36 2wdi n VAL 66 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2wdi s SER 67 N -1.50 5.21 1.74 4.52 0.15 -0.43 -4.72 113.70 118.67 2wdi s SER 67 Ca 0.25 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.12 2wdi s SER 67 Cb -0.03 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2wdi s SER 67 CO -0.17 -2.46 0.00 -1.22 1.20 0.00 0.00 173.24 170.60 2wdi n TYR 68 N 13.08 0.00 0.06 3.44 0.53 -1.26 -2.88 117.16 130.12 2wdi n TYR 68 Ca 0.24 0.00 -0.21 0.00 -1.02 0.00 0.00 57.90 56.91 2wdi n TYR 68 Cb 0.51 0.00 -0.12 0.00 -1.03 0.00 0.00 39.34 38.71 2wdi n TYR 68 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 2wdi h GLY 69 N 0.00 0.68 -1.34 2.72 0.00 -2.03 -3.47 103.07 99.63 2wdi h GLY 69 Ca 0.00 -1.30 -0.46 0.00 0.00 0.00 0.00 47.33 45.57 2wdi h GLY 69 CO 0.00 1.15 0.16 0.14 0.00 0.00 0.00 176.54 177.98 2wdi s VAL 70 N -3.12 2.25 0.07 4.60 1.01 -1.14 -5.09 120.40 118.97 2wdi s VAL 70 Ca -0.10 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.51 2wdi s VAL 70 Cb 0.05 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2wdi s VAL 70 CO 0.91 0.00 -0.17 -0.83 0.00 0.00 0.00 175.10 175.01 2wdi s GLY 71 N -4.64 1.65 0.03 4.51 0.00 -1.26 -1.31 107.32 106.29 2wdi s GLY 71 Ca 0.64 -1.25 0.02 0.00 0.00 0.00 0.00 44.72 44.14 2wdi s GLY 71 CO 0.44 -1.17 -0.07 0.14 0.00 0.00 0.00 173.10 172.44 2wdi s VAL 72 N -1.03 0.51 -0.10 1.40 1.01 0.85 -4.83 120.40 118.20 2wdi s VAL 72 Ca 0.17 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2wdi s VAL 72 Cb -0.11 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.74 2wdi s VAL 72 CO 0.08 -0.25 -0.17 -1.61 0.00 0.00 0.00 175.10 173.14 2wdi s GLU 73 N -1.21 2.42 -0.08 2.72 2.02 -1.25 0.15 118.70 123.47 2wdi s GLU 73 Ca -0.07 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.29 2wdi s GLU 73 Cb -0.08 -1.97 -0.02 0.00 0.10 0.00 0.00 34.13 32.15 2wdi s GLU 73 CO 0.00 0.01 -0.11 1.03 0.02 0.00 0.00 175.26 176.21 2wdi s ARG 74 N 0.78 2.87 -0.22 1.61 1.81 -0.44 -4.93 118.95 120.42 2wdi s ARG 74 Ca -0.10 -0.63 -0.03 0.00 -1.72 0.00 0.00 55.73 53.24 2wdi s ARG 74 Cb -0.16 -2.55 -0.00 0.00 -0.45 0.00 0.00 34.95 31.79 2wdi s ARG 74 CO 0.01 0.52 -0.05 0.42 -0.68 0.00 0.00 175.30 175.52 2wdi s ILE 75 N -0.44 3.28 -0.10 1.52 1.01 -1.26 -1.03 121.20 124.17 2wdi s ILE 75 Ca 0.06 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.15 2wdi s ILE 75 Cb -0.12 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 2wdi s ILE 75 CO 0.02 0.40 -0.14 -0.36 0.00 0.00 0.00 174.94 174.85 2wdi s PHE 76 N 1.46 2.76 -0.34 3.97 2.99 -0.05 -4.96 117.98 123.80 2wdi s PHE 76 Ca 0.05 -0.54 0.23 0.00 0.00 0.00 0.00 56.93 56.67 2wdi s PHE 76 Cb -0.14 -1.77 1.08 0.00 0.00 0.00 0.00 43.02 42.18 2wdi s PHE 76 CO -0.04 -0.12 1.70 -2.30 -0.00 0.00 0.00 175.22 174.46 2wdi n PRO 77 N 3.19 0.18 -0.97 0.24 -0.02 -1.26 -1.62 135.00 134.73 2wdi n PRO 77 Ca -0.18 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2wdi n PRO 77 Cb 0.53 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 2wdi n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2wdi n LEU 78 N -2.27 0.07 -3.78 2.45 0.00 -1.26 -4.04 117.00 108.17 2wdi n LEU 78 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.88 2wdi n LEU 78 Cb 0.15 -0.23 -0.14 0.00 0.00 0.00 0.00 43.42 43.20 2wdi n LEU 78 CO 0.16 -0.04 -0.23 -1.00 0.00 0.00 0.00 177.39 176.27 2wdi s HIS 79 N -3.38 -0.14 0.00 1.96 3.76 -1.26 -4.79 115.29 111.44 2wdi s HIS 79 Ca 0.00 0.40 0.00 0.00 -0.15 0.00 0.00 55.06 55.31 2wdi s HIS 79 Cb 0.00 -0.03 0.00 0.00 1.11 0.00 0.00 32.58 33.66 2wdi s HIS 79 CO 0.00 -0.12 0.00 0.45 -0.85 0.00 0.00 174.74 174.22 2wdi n SER 80 N 3.69 0.00 -4.31 1.40 2.88 -1.26 -4.90 113.62 111.12 2wdi n SER 80 Ca -0.20 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.23 2wdi n SER 80 Cb 0.55 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.91 2wdi n SER 80 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2wdi n PRO 81 N 4.65 0.08 -2.55 -1.46 -0.02 -1.26 -4.21 135.00 130.23 2wdi n PRO 81 Ca 0.00 -0.40 -0.03 0.00 -2.02 0.00 0.00 63.50 61.05 2wdi n PRO 81 Cb 0.00 -1.85 0.11 0.00 -0.02 0.00 0.00 33.50 31.74 2wdi n PRO 81 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wdi n LEU 82 N 9.27 -1.40 0.00 2.45 4.32 -1.25 -4.52 117.00 125.87 2wdi n LEU 82 Ca 0.32 -2.97 0.00 0.00 -0.02 0.00 0.00 56.01 53.34 2wdi n LEU 82 Cb 0.38 0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 2wdi n LEU 82 CO 0.69 1.66 0.00 2.30 -1.22 0.00 0.00 177.39 180.82 2wdi n ILE 83 N -1.12 0.00 -3.91 -0.08 -5.35 -1.26 -4.33 119.36 103.31 2wdi n ILE 83 Ca -0.13 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.25 2wdi n ILE 83 Cb 0.82 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.71 2wdi n ILE 83 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wdi n GLN 84 N -1.41 1.37 -2.13 6.28 10.64 -1.26 -5.04 117.38 125.84 2wdi n GLN 84 Ca 0.00 -1.22 -0.02 0.00 -1.83 0.00 0.00 57.00 53.93 2wdi n GLN 84 Cb 0.00 0.22 0.05 0.00 -0.86 0.00 0.00 30.24 29.65 2wdi n GLN 84 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2wdi n LYS 85 N -0.72 0.58 -0.80 2.61 5.02 -1.26 -4.57 118.16 119.02 2wdi n LYS 85 Ca -0.04 -0.62 -0.33 0.00 -2.02 0.00 0.00 58.31 55.30 2wdi n LYS 85 Cb 0.22 0.15 0.13 0.00 -0.02 0.00 0.00 35.03 35.50 2wdi n LYS 85 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2wdi n ILE 86 N -0.65 0.16 -4.63 -0.18 3.06 -1.26 -4.63 119.36 111.22 2wdi n ILE 86 Ca -0.10 -0.16 -0.25 0.00 -2.50 0.00 0.00 62.75 59.74 2wdi n ILE 86 Cb 0.67 -0.72 -0.14 0.00 0.54 0.00 0.00 39.64 39.99 2wdi n ILE 86 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 2wdi s ASP 87 N -2.12 2.38 0.00 9.51 -4.77 -1.26 -4.17 116.67 116.24 2wdi s ASP 87 Ca 0.60 -0.51 0.00 0.00 -3.30 0.00 0.00 52.55 49.34 2wdi s ASP 87 Cb -0.22 -0.20 0.00 0.00 -1.09 0.00 0.00 42.92 41.41 2wdi s ASP 87 CO 0.65 0.15 0.00 -0.38 0.70 0.00 0.00 175.17 176.29 2wdi n ILE 88 N 1.89 0.00 -3.73 2.11 5.41 -0.79 -4.94 119.36 119.31 2wdi n ILE 88 Ca -0.17 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.22 2wdi n ILE 88 Cb 0.53 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.37 2wdi n ILE 88 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2wdi s VAL 89 N 0.09 5.26 -0.19 1.39 1.01 -1.16 -4.97 120.40 121.82 2wdi s VAL 89 Ca 0.00 0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.89 2wdi s VAL 89 Cb 0.00 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2wdi s VAL 89 CO 0.00 0.39 0.75 -1.10 0.00 0.00 0.00 175.10 175.14 2wdi s GLN 90 N 0.76 4.24 0.00 2.72 -0.21 -1.26 -3.21 119.66 122.70 2wdi s GLN 90 Ca 0.07 0.84 0.00 0.00 0.02 0.00 0.00 55.36 56.29 2wdi s GLN 90 Cb -0.13 -3.59 0.00 0.00 1.00 0.00 0.00 33.01 30.29 2wdi s GLN 90 CO 0.02 -0.33 0.00 0.54 -2.12 0.00 0.00 175.29 173.40 2wdi n ARG 91 N 5.32 0.00 0.00 2.91 1.74 -1.26 -3.78 116.66 121.58 2wdi n ARG 91 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2wdi n ARG 91 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 2wdi n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdi n GLY 92 N 0.00 0.18 4.76 -0.13 0.00 -1.23 -3.94 105.19 104.84 2wdi n GLY 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdi n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wdi n ARG 93 N 0.00 0.00 -1.26 1.61 0.63 -1.26 -4.33 116.66 112.05 2wdi n ARG 93 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 2wdi n ARG 93 Cb 0.00 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 30.63 2wdi n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdi n ALA 94 N 0.42 -1.27 0.62 5.13 0.00 -1.26 -4.72 120.51 119.42 2wdi n ALA 94 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.49 2wdi n ALA 94 Cb 0.00 -0.19 0.25 0.00 0.00 0.00 0.00 19.45 19.51 2wdi n ALA 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdi n ARG 95 N 0.61 0.31 -3.74 0.00 5.12 -1.26 -4.72 116.66 112.98 2wdi n ARG 95 Ca -0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 2wdi n ARG 95 Cb 0.14 -1.42 -0.06 0.00 -1.16 0.00 0.00 32.46 29.95 2wdi n ARG 95 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2wdi s ARG 96 N -2.00 0.93 0.00 5.56 1.70 -1.26 -5.11 118.95 118.77 2wdi s ARG 96 Ca 0.13 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 54.62 2wdi s ARG 96 Cb 0.06 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.83 2wdi s ARG 96 CO 0.10 -0.33 0.76 0.00 -1.08 0.00 0.00 175.30 174.75 2wdi n ALA 97 N -0.00 -0.24 -2.72 7.88 0.00 -1.26 -4.60 120.51 119.57 2wdi n ALA 97 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.90 2wdi n ALA 97 Cb 0.62 0.03 -0.06 0.00 0.00 0.00 0.00 19.45 20.04 2wdi n ALA 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wdi s LYS 98 N -2.04 4.33 -0.52 0.00 3.01 -1.26 -4.80 119.74 118.47 2wdi s LYS 98 Ca 0.00 0.45 0.07 0.00 -1.01 0.00 0.00 55.97 55.49 2wdi s LYS 98 Cb 0.00 -3.44 0.29 0.00 -1.01 0.00 0.00 37.83 33.67 2wdi s LYS 98 CO 0.00 0.14 0.74 1.47 0.51 0.00 0.00 175.35 178.21 2wdi n LEU 99 N 3.74 2.63 0.10 3.17 -0.00 -1.10 -4.83 117.00 120.71 2wdi n LEU 99 Ca -0.07 -5.26 0.12 0.00 -0.00 0.00 0.00 56.01 50.80 2wdi n LEU 99 Cb 0.52 -0.10 0.46 0.00 -0.00 0.00 0.00 43.42 44.29 2wdi n LEU 99 CO 0.43 2.18 0.85 -1.22 -0.00 0.00 0.00 177.39 179.63 2wdi n TYR 100 N 0.60 0.69 0.16 1.47 4.02 -1.26 -3.56 117.16 119.27 2wdi n TYR 100 Ca 0.27 0.25 0.19 0.00 -0.01 0.00 0.00 57.90 58.60 2wdi n TYR 100 Cb 0.47 -0.90 0.79 0.00 -0.02 0.00 0.00 39.34 39.68 2wdi n TYR 100 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2wdi h PHE 101 N 0.00 0.00 -0.30 -0.72 -0.00 -1.97 -1.78 116.94 112.17 2wdi h PHE 101 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.97 57.87 2wdi h PHE 101 Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.38 2wdi h PHE 101 CO 0.00 0.00 -0.22 -0.84 -0.00 0.00 0.00 178.31 177.25 2wdi h ILE 102 N 0.00 1.26 -1.00 0.88 3.07 -1.83 -3.12 117.51 116.78 2wdi h ILE 102 Ca 0.13 -1.26 0.28 0.00 1.55 0.00 0.00 64.86 65.57 2wdi h ILE 102 Cb 0.82 1.28 -0.19 0.00 -0.27 0.00 0.00 36.82 38.46 2wdi h ILE 102 CO -0.00 0.41 0.04 0.03 -1.05 0.00 0.00 178.15 177.57 2wdi h ARG 103 N 0.50 0.00 0.05 0.16 3.08 -1.61 -1.17 114.38 115.40 2wdi h ARG 103 Ca 0.08 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2wdi h ARG 103 Cb 0.66 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2wdi h ARG 103 CO 0.05 0.00 -0.02 -0.91 -1.07 0.00 0.00 179.97 178.02 2wdi h ASN 104 N 0.00 -0.06 -3.84 7.04 2.35 -1.74 -3.39 115.58 115.94 2wdi h ASN 104 Ca 0.61 -0.48 -0.62 0.00 -0.55 0.00 0.00 56.30 55.26 2wdi h ASN 104 Cb 1.27 0.02 -0.40 0.00 0.05 0.00 0.00 38.32 39.25 2wdi h ASN 104 CO -0.93 0.46 -0.69 -0.76 -1.65 0.00 0.00 177.43 173.86 2wdi s LEU 105 N -9.14 3.48 -0.16 1.61 1.43 -0.50 -5.06 118.68 110.34 2wdi s LEU 105 Ca -0.15 -2.67 0.01 0.00 -1.03 0.00 0.00 54.13 50.28 2wdi s LEU 105 Cb 0.01 -1.31 0.02 0.00 0.03 0.00 0.00 46.19 44.94 2wdi s LEU 105 CO 0.63 -0.27 -0.17 -0.94 0.23 0.00 0.00 176.35 175.83 2wdi s SER 106 N 0.24 2.88 0.00 2.29 1.04 -0.87 -4.45 113.70 114.82 2wdi s SER 106 Ca 0.16 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2wdi s SER 106 Cb -0.24 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.57 2wdi s SER 106 CO -0.02 -0.03 0.00 -0.90 0.98 0.00 0.00 173.24 173.26 2wdi n ASP 107 N 4.71 0.00 0.09 7.02 5.75 -1.26 -4.85 116.55 128.01 2wdi n ASP 107 Ca -0.19 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.66 2wdi n ASP 107 Cb 0.50 0.00 0.34 0.00 -1.03 0.00 0.00 41.12 40.93 2wdi n ASP 107 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2wdi n ARG 108 N 0.00 0.08 -0.06 0.11 0.63 -1.26 -1.00 116.66 115.15 2wdi n ARG 108 Ca 0.00 0.57 -0.15 0.00 -0.92 0.00 0.00 57.85 57.35 2wdi n ARG 108 Cb 0.00 -1.76 -0.13 0.00 0.45 0.00 0.00 32.46 31.02 2wdi n ARG 108 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2wdi h GLU 109 N 0.00 0.02 -0.88 -0.14 5.08 -1.90 -3.16 114.58 113.60 2wdi h GLU 109 Ca 0.00 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 2wdi h GLU 109 Cb 0.02 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.20 2wdi h GLU 109 CO 0.00 1.01 0.52 0.82 -1.00 0.00 0.00 179.01 180.37 2wdi h ILE 110 N -0.96 0.93 -0.05 3.13 2.04 -1.29 0.33 117.51 121.64 2wdi h ILE 110 Ca -0.03 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.55 2wdi h ILE 110 Cb 1.06 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2wdi h ILE 110 CO -0.00 0.16 0.05 0.03 0.00 0.00 0.00 178.15 178.39 2wdi h ARG 111 N 0.87 0.00 0.15 2.37 3.08 -1.53 -0.77 114.38 118.54 2wdi h ARG 111 Ca 0.42 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.17 2wdi h ARG 111 Cb 0.38 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.43 2wdi h ARG 111 CO -0.25 0.00 -1.41 0.00 -1.07 0.00 0.00 179.97 177.25 2wdi h ARG 112 N 0.00 0.31 0.00 0.04 3.08 -0.38 -3.34 114.38 114.09 2wdi h ARG 112 Ca 0.02 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2wdi h ARG 112 Cb 0.12 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2wdi h ARG 112 CO -0.00 1.22 -0.17 1.63 -1.07 0.00 0.00 179.97 181.57 2wdi n LYS 113 N -3.53 0.03 -3.13 0.04 4.01 -0.26 -4.23 118.16 111.09 2wdi n LYS 113 Ca -0.13 0.02 -0.24 0.00 -0.51 0.00 0.00 58.31 57.45 2wdi n LYS 113 Cb 1.05 -1.53 -0.05 0.00 -0.51 0.00 0.00 35.03 33.99 2wdi n LYS 113 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2wdi n LEU 114 N -1.58 2.65 0.00 -0.35 4.77 -0.40 -4.73 117.00 117.37 2wdi n LEU 114 Ca 0.06 -5.31 0.00 0.00 -0.03 0.00 0.00 56.01 50.74 2wdi n LEU 114 Cb 0.35 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2wdi n LEU 114 CO 0.30 2.25 0.00 0.54 -1.33 0.00 0.00 177.39 179.15 2wdi n ARG 115 N 0.31 0.00 -3.15 3.23 5.12 -1.26 -3.51 116.66 117.40 2wdi n ARG 115 Ca 0.28 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.25 2wdi n ARG 115 Cb 0.50 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.79 2wdi n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wdi s ALA 116 N -2.57 -3.74 -0.79 7.54 0.00 -1.26 -4.03 121.76 116.90 2wdi s ALA 116 Ca 0.00 1.37 -0.25 0.00 0.00 0.00 0.00 51.96 53.08 2wdi s ALA 116 Cb 0.00 -2.68 -0.15 0.00 0.00 0.00 0.00 23.12 20.29 2wdi s ALA 116 CO 0.00 -1.80 2.41 -3.47 0.00 0.00 0.00 175.76 172.90 2wdi n ASP 117 N 5.29 1.72 0.28 0.00 2.03 -1.25 -4.76 116.55 119.86 2wdi n ASP 117 Ca 0.02 -1.44 -0.17 0.00 0.52 0.00 0.00 54.79 53.71 2wdi n ASP 117 Cb 0.56 -1.63 -0.08 0.00 -0.72 0.00 0.00 41.12 39.25 2wdi n ASP 117 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2wdi h ARG 118 N 12.80 -0.84 -0.64 -0.67 3.08 -1.96 -1.95 114.38 124.21 2wdi h ARG 118 Ca -0.00 0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.19 2wdi h ARG 118 Cb 1.01 0.19 -0.10 0.00 0.08 0.00 0.00 29.97 31.16 2wdi h ARG 118 CO 1.03 -0.56 -0.29 1.17 -1.07 0.00 0.00 179.97 180.25 2wdi n LYS 119 N -5.51 -0.19 0.21 0.04 4.81 -1.26 0.28 118.16 116.55 2wdi n LYS 119 Ca -0.11 0.98 0.09 0.00 -0.87 0.00 0.00 58.31 58.40 2wdi n LYS 119 Cb 0.40 -1.45 0.44 0.00 0.02 0.00 0.00 35.03 34.43 2wdi n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wdi h ARG 120 N 0.00 0.00 0.01 1.64 3.08 -1.91 -2.44 114.38 114.76 2wdi h ARG 120 Ca 0.19 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.19 2wdi h ARG 120 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2wdi h ARG 120 CO -0.63 0.26 -0.21 0.82 -1.07 0.00 0.00 179.97 179.14 2wdi h ILE 121 N 0.00 1.61 0.00 2.04 1.08 0.47 -3.28 117.51 119.43 2wdi h ILE 121 Ca -0.00 -2.06 0.00 0.00 -0.39 0.00 0.00 64.86 62.41 2wdi h ILE 121 Cb 0.77 2.95 0.00 0.00 -3.07 0.00 0.00 36.82 37.47 2wdi h ILE 121 CO 0.03 0.56 0.00 0.47 -0.69 0.00 0.00 178.15 178.52 2wdi n ASP 122 N -4.53 0.29 -1.03 1.72 8.00 0.14 -1.32 116.55 119.83 2wdi n ASP 122 Ca -0.10 0.57 0.10 0.00 0.71 0.00 0.00 54.79 56.07 2wdi n ASP 122 Cb 0.51 -0.63 0.26 0.00 -0.02 0.00 0.00 41.12 41.24 2wdi n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wdi n GLN 123 N -1.81 2.31 -0.07 -1.24 10.64 -0.92 -2.79 117.38 123.49 2wdi n GLN 123 Ca 0.03 -2.02 -0.10 0.00 -1.83 0.00 0.00 57.00 53.08 2wdi n GLN 123 Cb 0.21 -1.46 -0.07 0.00 -0.86 0.00 0.00 30.24 28.07 2wdi n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2wdi n ASP 124 N 1.16 2.85 0.17 2.61 9.92 -0.43 -3.63 116.55 129.21 2wdi n ASP 124 Ca 0.19 -0.08 0.13 0.00 -0.53 0.00 0.00 54.79 54.51 2wdi n ASP 124 Cb 0.50 -0.21 0.42 0.00 -0.64 0.00 0.00 41.12 41.19 2wdi n ASP 124 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2wdi h ARG 125 N 0.00 0.00 0.00 -1.24 2.47 -1.57 -1.29 114.38 112.75 2wdi h ARG 125 Ca -0.32 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 2wdi h ARG 125 Cb 1.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.83 2wdi h ARG 125 CO -0.05 0.00 -0.94 0.00 0.56 0.00 0.00 179.97 179.54 2wdi h ALA 126 N 2.24 0.51 -0.71 0.04 0.00 -1.71 -3.34 119.26 116.28 2wdi h ALA 126 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2wdi h ALA 126 Cb 0.67 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.25 2wdi h ALA 126 CO 0.00 0.00 0.64 0.00 0.00 0.00 0.00 179.25 179.89 2wdi n ALA 127 N -2.12 6.28 -1.12 0.00 0.00 -0.49 -4.34 120.51 118.72 2wdi n ALA 127 Ca 0.01 -3.20 0.01 0.00 0.00 0.00 0.00 53.44 50.26 2wdi n ALA 127 Cb 0.53 -1.95 0.26 0.00 0.00 0.00 0.00 19.45 18.29 2wdi n ALA 127 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2wdi n GLU 128 N 0.20 2.94 -0.65 0.00 -0.00 -1.25 -4.88 120.64 117.00 2wdi n GLU 128 Ca 0.49 -3.00 -0.37 0.00 -0.00 0.00 0.00 57.16 54.28 2wdi n GLU 128 Cb 0.48 -1.96 -0.11 0.00 -0.00 0.00 0.00 31.44 29.85 2wdi n GLU 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2wdi n ARG 129 N -0.53 0.01 0.00 3.44 3.00 -1.26 -3.89 116.66 117.42 2wdi n ARG 129 Ca 0.30 -0.96 0.10 0.00 -0.00 0.00 0.00 57.85 57.29 2wdi n ARG 129 Cb 1.08 -2.48 -0.05 0.00 0.00 0.00 0.00 32.46 31.01 2wdi n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wdi n ALA 130 N 9.47 4.03 -0.59 5.13 0.00 -1.26 -4.96 120.51 132.33 2wdi n ALA 130 Ca 0.41 -0.61 -0.15 0.00 0.00 0.00 0.00 53.44 53.09 2wdi n ALA 130 Cb 0.41 -0.75 -0.06 0.00 0.00 0.00 0.00 19.45 19.05 2wdi n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdi n ALA 131 N -0.69 0.14 -1.78 0.00 0.00 -1.25 -4.64 120.51 112.29 2wdi n ALA 131 Ca 0.07 -0.13 -0.28 0.00 0.00 0.00 0.00 53.44 53.10 2wdi n ALA 131 Cb 0.39 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.86 2wdi n ALA 131 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdi n LYS 132 N 3.24 1.20 -0.05 0.00 5.02 -1.26 -4.67 118.16 121.64 2wdi n LYS 132 Ca 0.26 -2.17 0.00 0.00 -2.02 0.00 0.00 58.31 54.38 2wdi n LYS 132 Cb 0.02 -3.63 0.00 0.00 -0.02 0.00 0.00 35.03 31.40 2wdi n LYS 132 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2wdi n GLU 133 N 8.08 0.68 -3.90 1.97 4.07 -1.26 -4.74 120.64 125.54 2wdi n GLU 133 Ca 0.45 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 57.26 2wdi n GLU 133 Cb 0.46 -1.16 -0.04 0.00 -0.06 0.00 0.00 31.44 30.64 2wdi n GLU 133 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2wdi s GLU 134 N 0.36 3.45 0.00 5.31 2.56 -1.26 -4.29 118.70 124.83 2wdi s GLU 134 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.97 54.48 2wdi s GLU 134 Cb 0.00 -2.98 0.00 0.00 2.00 0.00 0.00 34.13 33.15 2wdi s GLU 134 CO 0.00 0.55 0.00 0.00 -0.56 0.00 0.00 175.26 175.25 2wdi n ALA 135 N -0.18 0.00 -1.00 6.30 0.00 -1.26 -4.73 120.51 119.64 2wdi n ALA 135 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2wdi n ALA 135 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2wdi n ALA 135 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wdi n GLN 136 N 0.00 0.00 -1.07 0.00 -0.06 -1.26 -4.51 117.38 110.48 2wdi n GLN 136 Ca 0.00 0.00 -0.25 0.00 -2.00 0.00 0.00 57.00 54.75 2wdi n GLN 136 Cb 0.00 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.10 2wdi n GLN 136 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2wdi n LYS 137 N 0.00 2.70 0.00 3.69 4.76 -1.26 -5.19 118.16 122.86 2wdi n LYS 137 Ca 0.00 -1.55 0.00 0.00 -2.87 0.00 0.00 58.31 53.89 2wdi n LYS 137 Cb 0.00 -2.39 0.00 0.00 -1.84 0.00 0.00 35.03 30.80 2wdi n LYS 137 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03