#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdn n ASN 2 N 0.00 0.00 -3.12 6.12 3.02 -1.26 -2.82 115.26 117.19 2wdn n ASN 2 Ca 0.00 -0.16 -0.22 0.00 -0.03 0.00 0.00 54.58 54.18 2wdn n ASN 2 Cb 0.00 -0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 38.95 2wdn n ASN 2 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wdn n ARG 3 N -1.18 1.71 -0.51 3.52 5.12 -1.26 -4.92 116.66 119.14 2wdn n ARG 3 Ca 0.09 -3.88 0.42 0.00 -1.93 0.00 0.00 57.85 52.55 2wdn n ARG 3 Cb 0.10 -1.85 0.68 0.00 -1.16 0.00 0.00 32.46 30.23 2wdn n ARG 3 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wdn n GLY 4 N 0.24 -0.84 0.10 -0.13 0.00 -1.13 0.11 105.19 103.54 2wdn n GLY 4 Ca 0.27 0.70 -0.02 0.00 0.00 0.00 0.00 46.02 46.97 2wdn n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdn h ALA 5 N 1.35 0.66 -0.14 4.61 0.00 -1.91 -3.24 119.26 120.59 2wdn h ALA 5 Ca 0.85 -0.92 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2wdn h ALA 5 Cb 2.94 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 20.97 2wdn h ALA 5 CO -0.32 1.03 -0.63 1.25 0.00 0.00 0.00 179.25 180.58 2wdn h LEU 6 N 0.00 0.56 0.45 0.00 6.46 0.36 -2.56 115.31 120.58 2wdn h LEU 6 Ca -0.16 -0.33 -0.02 0.00 -0.12 0.00 0.00 57.88 57.25 2wdn h LEU 6 Cb 1.65 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.42 2wdn h LEU 6 CO 0.06 1.05 -0.22 0.40 -0.62 0.00 0.00 178.44 179.11 2wdn h ILE 7 N 0.36 0.56 -0.50 4.05 1.08 -1.34 -2.71 117.51 119.01 2wdn h ILE 7 Ca -0.01 -0.10 0.10 0.00 -0.39 0.00 0.00 64.86 64.46 2wdn h ILE 7 Cb 1.18 0.60 -0.09 0.00 -3.07 0.00 0.00 36.82 35.45 2wdn h ILE 7 CO 0.11 0.02 -0.04 0.11 -0.69 0.00 0.00 178.15 177.67 2wdn h LYS 8 N -0.66 0.08 -0.85 2.37 1.57 -1.57 0.23 116.57 117.73 2wdn h LYS 8 Ca -0.06 -0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.91 2wdn h LYS 8 Cb 0.49 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.73 2wdn h LYS 8 CO 0.10 0.05 0.57 -0.07 -0.57 0.00 0.00 179.45 179.53 2wdn h LEU 9 N 0.08 0.32 -0.15 2.94 3.38 -1.35 -0.43 115.31 120.10 2wdn h LEU 9 Ca 0.25 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 2wdn h LEU 9 Cb 0.38 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2wdn h LEU 9 CO -0.44 0.14 -0.18 0.58 0.09 0.00 0.00 178.44 178.63 2wdn h VAL 10 N 0.33 1.35 -0.81 1.22 2.07 -0.25 -3.00 116.25 117.15 2wdn h VAL 10 Ca 0.43 -1.37 0.19 0.00 0.82 0.00 0.00 66.70 66.77 2wdn h VAL 10 Cb 1.18 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.80 2wdn h VAL 10 CO -0.13 0.40 0.55 -0.33 0.02 0.00 0.00 177.57 178.08 2wdn h GLU 11 N -0.00 0.30 -5.71 1.57 3.07 -0.32 -3.30 114.58 110.19 2wdn h GLU 11 Ca 0.02 -0.02 -0.33 0.00 -0.50 0.00 0.00 59.36 58.54 2wdn h GLU 11 Cb 0.72 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.52 2wdn h GLU 11 CO 0.04 0.20 0.86 -1.12 -1.40 0.00 0.00 179.01 177.59 2wdn s SER 12 N -5.80 5.25 -0.19 1.42 0.01 -0.81 -4.66 113.70 108.91 2wdn s SER 12 Ca -0.07 -0.91 0.14 0.00 1.31 0.00 0.00 55.95 56.42 2wdn s SER 12 Cb 0.22 -2.57 0.40 0.00 0.21 0.00 0.00 66.02 64.28 2wdn s SER 12 CO 0.77 -2.69 1.26 -1.14 0.41 0.00 0.00 173.24 171.85 2wdn n ARG 13 N 8.76 1.67 -2.00 12.44 3.00 -1.25 -4.56 116.66 134.72 2wdn n ARG 13 Ca 0.41 -2.99 -0.18 0.00 -0.00 0.00 0.00 57.85 55.09 2wdn n ARG 13 Cb 0.47 -1.64 0.04 0.00 0.00 0.00 0.00 32.46 31.33 2wdn n ARG 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2wdn n TYR 14 N -1.16 2.25 -2.93 -0.14 4.02 -1.26 -5.06 117.16 112.87 2wdn n TYR 14 Ca 0.21 -2.12 -0.30 0.00 -0.01 0.00 0.00 57.90 55.68 2wdn n TYR 14 Cb 0.76 -0.31 -0.03 0.00 -0.02 0.00 0.00 39.34 39.73 2wdn n TYR 14 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2wdn s VAL 15 N -4.29 4.81 0.57 -0.72 -7.23 -1.26 -4.79 120.40 107.48 2wdn s VAL 15 Ca 0.46 0.56 0.06 0.00 -1.81 0.00 0.00 61.98 61.25 2wdn s VAL 15 Cb 0.39 -3.73 0.06 0.00 0.56 0.00 0.00 36.38 33.66 2wdn s VAL 15 CO 0.02 -0.48 0.48 -0.13 -0.31 0.00 0.00 175.10 174.68 2wdn s ARG 16 N -3.77 2.24 0.00 4.82 1.81 -1.26 -5.01 118.95 117.78 2wdn s ARG 16 Ca 0.50 -2.01 0.00 0.00 -1.72 0.00 0.00 55.73 52.51 2wdn s ARG 16 Cb -0.10 -2.17 0.00 0.00 -0.45 0.00 0.00 34.95 32.22 2wdn s ARG 16 CO 0.30 -0.72 0.00 -2.37 -0.68 0.00 0.00 175.30 171.83 2wdn n THR 17 N -1.89 0.00 1.02 0.02 5.66 -1.26 -4.93 114.28 112.90 2wdn n THR 17 Ca 0.01 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.10 2wdn n THR 17 Cb 0.64 0.00 0.51 0.00 -1.55 0.00 0.00 70.33 69.93 2wdn n THR 17 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2wdn n ASP 18 N 0.00 0.00 -4.90 1.09 5.75 -1.26 -4.85 116.55 112.38 2wdn n ASP 18 Ca 0.00 -0.25 -0.33 0.00 -0.01 0.00 0.00 54.79 54.20 2wdn n ASP 18 Cb 0.00 -0.16 -0.05 0.00 -1.03 0.00 0.00 41.12 39.88 2wdn n ASP 18 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2wdn s LEU 19 N -2.32 4.36 0.73 -2.12 1.43 -1.26 -4.95 118.68 114.55 2wdn s LEU 19 Ca 0.22 0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 53.59 2wdn s LEU 19 Cb 0.13 -2.74 0.04 0.00 0.03 0.00 0.00 46.19 43.65 2wdn s LEU 19 CO 0.25 0.23 1.12 -2.84 0.23 0.00 0.00 176.35 175.34 2wdn s PRO 20 N -2.06 2.36 -0.46 1.29 0.02 -1.26 -5.00 135.00 129.89 2wdn s PRO 20 Ca 0.30 1.36 -0.18 0.00 0.02 0.00 0.00 61.00 62.50 2wdn s PRO 20 Cb -0.13 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.54 2wdn s PRO 20 CO 0.20 -1.59 0.51 -2.00 -0.33 0.00 0.00 177.00 173.80 2wdn s GLU 21 N -4.43 3.11 0.28 5.54 2.12 -1.26 -5.03 118.70 119.03 2wdn s GLU 21 Ca 0.66 -0.84 0.09 0.00 0.36 0.00 0.00 54.97 55.23 2wdn s GLU 21 Cb -0.20 -4.03 -0.06 0.00 0.26 0.00 0.00 34.13 30.10 2wdn s GLU 21 CO 0.49 -1.01 -0.11 -0.59 -0.54 0.00 0.00 175.26 173.49 2wdn s PHE 22 N 2.30 2.08 -0.06 5.30 -0.12 -1.26 -5.15 117.98 121.07 2wdn s PHE 22 Ca 0.13 -0.55 -0.30 0.00 -0.05 0.00 0.00 56.93 56.16 2wdn s PHE 22 Cb -0.18 -1.08 0.09 0.00 -0.63 0.00 0.00 43.02 41.21 2wdn s PHE 22 CO 0.13 0.46 0.78 -0.98 -0.05 0.00 0.00 175.22 175.56 2wdn s ARG 23 N -3.64 0.93 0.00 1.99 1.70 -1.26 -5.01 118.95 113.67 2wdn s ARG 23 Ca 0.29 0.12 0.00 0.00 -0.47 0.00 0.00 55.73 55.67 2wdn s ARG 23 Cb 0.01 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 2wdn s ARG 23 CO 0.13 -0.31 0.00 -2.30 -1.08 0.00 0.00 175.30 171.73 2wdn n PRO 24 N 0.65 0.00 0.00 3.89 -0.02 -1.26 -4.40 135.00 133.87 2wdn n PRO 24 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2wdn n PRO 24 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.06 2wdn n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdn n GLY 25 N 0.00 1.34 2.57 -1.23 0.00 -1.26 -4.62 105.19 102.00 2wdn n GLY 25 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2wdn n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wdn s ASP 26 N 0.31 2.31 0.00 1.61 3.68 -1.24 -2.70 116.67 120.64 2wdn s ASP 26 Ca 0.00 -1.95 0.00 0.00 2.13 0.00 0.00 52.55 52.73 2wdn s ASP 26 Cb 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 42.92 41.43 2wdn s ASP 26 CO 0.00 -0.29 0.00 1.07 0.13 0.00 0.00 175.17 176.08 2wdn n THR 27 N 4.13 0.00 0.00 1.71 5.66 -1.24 -2.27 114.28 122.27 2wdn n THR 27 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 2wdn n THR 27 Cb 0.40 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 2wdn n THR 27 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2wdn n VAL 28 N 0.00 0.00 0.00 1.08 0.31 -1.24 -1.15 118.33 117.33 2wdn n VAL 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wdn n VAL 28 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wdn n VAL 28 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wdn n ARG 29 N 1.81 0.00 0.00 5.55 3.00 -0.02 -4.18 116.66 122.81 2wdn n ARG 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2wdn n ARG 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2wdn n ARG 29 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2wdn n VAL 30 N -1.01 0.00 0.00 1.55 0.24 -1.26 -4.29 118.33 113.56 2wdn n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wdn n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2wdn n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2wdn n SER 31 N 0.00 2.71 0.02 -1.34 3.41 0.48 -4.46 113.62 114.43 2wdn n SER 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wdn n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wdn n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wdn n TYR 32 N 0.00 -1.71 -1.69 7.33 0.18 -1.26 -3.78 117.16 116.23 2wdn n TYR 32 Ca 0.00 0.11 0.00 0.00 1.88 0.00 0.00 57.90 59.89 2wdn n TYR 32 Cb 0.00 0.70 0.00 0.00 -0.38 0.00 0.00 39.34 39.66 2wdn n TYR 32 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 2wdn n LYS 33 N -2.59 -1.72 -3.78 -3.48 4.76 -1.26 -3.98 118.16 106.11 2wdn n LYS 33 Ca 0.00 1.21 -0.37 0.00 -2.87 0.00 0.00 58.31 56.28 2wdn n LYS 33 Cb 0.00 -1.66 -0.13 0.00 -1.84 0.00 0.00 35.03 31.40 2wdn n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wdn s VAL 34 N -0.18 3.87 0.00 -0.18 1.01 -1.26 -3.19 120.40 120.47 2wdn s VAL 34 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2wdn s VAL 34 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2wdn s VAL 34 CO 0.00 0.11 0.00 2.29 0.00 0.00 0.00 175.10 177.50 2wdn n LYS 35 N 4.85 0.00 -1.39 2.72 2.85 -1.22 -4.99 118.16 120.98 2wdn n LYS 35 Ca -0.15 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.09 2wdn n LYS 35 Cb 0.48 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.85 2wdn n LYS 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2wdn n GLU 36 N 0.00 -1.46 -0.81 -1.58 2.13 -1.26 0.12 120.64 117.77 2wdn n GLU 36 Ca 0.00 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2wdn n GLU 36 Cb 0.00 -4.27 0.00 0.00 0.27 0.00 0.00 31.44 27.44 2wdn n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wdn n GLY 37 N -0.16 0.60 0.00 8.31 0.00 -1.26 -4.91 105.19 107.77 2wdn n GLY 37 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2wdn n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wdn n ASN 38 N -0.02 0.08 -3.12 1.61 6.94 0.32 -5.10 115.26 115.97 2wdn n ASN 38 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 54.58 54.35 2wdn n ASN 38 Cb 0.01 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.39 2wdn n ASN 38 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2wdn n ARG 39 N 0.00 1.65 0.00 -3.83 1.74 -1.26 -3.39 116.66 111.57 2wdn n ARG 39 Ca 0.00 -3.83 0.00 0.00 -0.77 0.00 0.00 57.85 53.25 2wdn n ARG 39 Cb 0.00 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 29.59 2wdn n ARG 39 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2wdn n THR 40 N 0.19 0.00 -3.36 0.55 -2.24 -1.19 -4.99 114.28 103.24 2wdn n THR 40 Ca 0.27 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.87 2wdn n THR 40 Cb 0.57 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.87 2wdn n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wdn n ARG 41 N 0.00 -3.18 -1.54 -0.78 0.00 -1.26 -4.09 116.66 105.81 2wdn n ARG 41 Ca 0.00 0.81 -0.36 0.00 -0.00 0.00 0.00 57.85 58.29 2wdn n ARG 41 Cb 0.00 -5.63 -0.07 0.00 0.00 0.00 0.00 32.46 26.77 2wdn n ARG 41 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2wdn n ILE 42 N -3.57 -0.06 -1.92 5.15 -6.64 -1.26 -4.38 119.36 106.68 2wdn n ILE 42 Ca -0.13 -0.58 -0.30 0.00 -1.77 0.00 0.00 62.75 59.97 2wdn n ILE 42 Cb 0.63 -2.14 0.04 0.00 -1.44 0.00 0.00 39.64 36.73 2wdn n ILE 42 CO 0.00 0.00 0.00 -1.58 -1.77 0.00 0.00 176.55 173.20 2wdn s GLN 43 N 8.49 2.89 -0.03 6.28 0.74 -1.26 -4.73 119.66 132.04 2wdn s GLN 43 Ca 1.08 0.44 0.07 0.00 0.05 0.00 0.00 55.36 57.00 2wdn s GLN 43 Cb -0.47 -2.04 -0.02 0.00 1.10 0.00 0.00 33.01 31.58 2wdn s GLN 43 CO 0.32 -0.99 -0.25 -0.51 -0.55 0.00 0.00 175.29 173.30 2wdn s ASP 44 N -4.35 3.01 -0.26 6.67 1.11 -1.26 -0.39 116.67 121.20 2wdn s ASP 44 Ca 0.58 -0.48 0.02 0.00 0.18 0.00 0.00 52.55 52.85 2wdn s ASP 44 Cb -0.11 -0.50 0.06 0.00 1.07 0.00 0.00 42.92 43.45 2wdn s ASP 44 CO 0.51 0.29 -0.08 0.12 1.18 0.00 0.00 175.17 177.20 2wdn s PHE 45 N -0.45 3.04 -0.52 4.23 5.36 -1.26 -4.88 117.98 123.50 2wdn s PHE 45 Ca 0.05 -2.22 -0.16 0.00 -0.96 0.00 0.00 56.93 53.64 2wdn s PHE 45 Cb -0.11 -1.92 0.11 0.00 -0.34 0.00 0.00 43.02 40.75 2wdn s PHE 45 CO 0.01 -0.86 0.46 -2.00 -1.46 0.00 0.00 175.22 171.37 2wdn s GLU 46 N 1.17 2.99 0.15 10.12 2.12 -1.26 -0.84 118.70 133.14 2wdn s GLU 46 Ca -0.06 -1.57 -0.09 0.00 0.36 0.00 0.00 54.97 53.61 2wdn s GLU 46 Cb -0.20 -4.24 -0.01 0.00 0.26 0.00 0.00 34.13 29.95 2wdn s GLU 46 CO -0.06 -1.22 0.26 0.20 -0.54 0.00 0.00 175.26 173.90 2wdn s GLY 47 N 3.23 0.42 0.46 -1.50 0.00 -1.26 -4.63 107.32 104.03 2wdn s GLY 47 Ca 0.03 -0.84 -0.22 0.00 0.00 0.00 0.00 44.72 43.69 2wdn s GLY 47 CO 0.04 -0.84 1.09 -0.42 0.00 0.00 0.00 173.10 172.97 2wdn s ILE 48 N -3.95 3.50 -0.45 0.90 1.09 -1.13 -3.65 121.20 117.52 2wdn s ILE 48 Ca 0.15 1.05 -0.21 0.00 -1.10 0.00 0.00 60.65 60.54 2wdn s ILE 48 Cb 0.04 -3.49 0.03 0.00 -1.06 0.00 0.00 42.46 37.97 2wdn s ILE 48 CO -0.02 -0.09 0.66 0.54 -0.10 0.00 0.00 174.94 175.92 2wdn s VAL 49 N -1.74 4.81 -0.06 2.92 0.11 -1.10 -0.37 120.40 124.97 2wdn s VAL 49 Ca 0.64 0.09 0.12 0.00 -2.93 0.00 0.00 61.98 59.91 2wdn s VAL 49 Cb -0.22 -4.23 -0.03 0.00 -1.53 0.00 0.00 36.38 30.37 2wdn s VAL 49 CO 0.27 -0.63 1.37 0.40 -3.33 0.00 0.00 175.10 173.18 2wdn h ILE 50 N 5.89 1.14 -1.39 7.04 5.03 -0.77 -3.36 117.51 131.09 2wdn h ILE 50 Ca -0.25 -2.62 0.12 0.00 -0.12 0.00 0.00 64.86 61.99 2wdn h ILE 50 Cb 1.09 2.56 -0.26 0.00 -3.03 0.00 0.00 36.82 37.18 2wdn h ILE 50 CO 0.91 0.65 0.65 -0.60 -0.68 0.00 0.00 178.15 179.08 2wdn s ARG 51 N -2.87 0.38 -0.26 2.37 3.52 -1.09 -2.77 118.95 118.22 2wdn s ARG 51 Ca 0.03 0.24 -0.02 0.00 -0.13 0.00 0.00 55.73 55.85 2wdn s ARG 51 Cb 0.08 0.18 0.08 0.00 -1.56 0.00 0.00 34.95 33.74 2wdn s ARG 51 CO 0.77 -0.09 0.07 0.42 -0.81 0.00 0.00 175.30 175.66 2wdn s ILE 52 N -0.52 0.75 -0.35 4.11 1.01 -1.26 0.23 121.20 125.18 2wdn s ILE 52 Ca 0.03 -1.07 -0.16 0.00 0.00 0.00 0.00 60.65 59.46 2wdn s ILE 52 Cb -0.03 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 2wdn s ILE 52 CO -0.05 -0.48 0.38 0.00 0.00 0.00 0.00 174.94 174.79 2wdn s ARG 53 N 1.71 3.53 0.58 2.79 1.70 -0.42 -4.99 118.95 123.84 2wdn s ARG 53 Ca 0.05 -0.42 -0.08 0.00 -0.47 0.00 0.00 55.73 54.81 2wdn s ARG 53 Cb -0.17 -3.82 -0.02 0.00 -0.57 0.00 0.00 34.95 30.37 2wdn s ARG 53 CO -0.19 -0.56 0.93 1.03 -1.08 0.00 0.00 175.30 175.43 2wdn s ARG 54 N 2.06 3.29 -0.01 3.89 0.52 -1.26 -2.20 118.95 125.24 2wdn s ARG 54 Ca 0.12 0.33 0.00 0.00 -0.52 0.00 0.00 55.73 55.67 2wdn s ARG 54 Cb -0.16 -2.22 0.01 0.00 0.52 0.00 0.00 34.95 33.10 2wdn s ARG 54 CO 0.12 -0.56 0.44 -1.71 0.02 0.00 0.00 175.30 173.61 2wdn n ASN 55 N -2.59 -0.06 0.00 0.23 5.15 -1.26 -4.88 115.26 111.85 2wdn n ASN 55 Ca 0.04 -0.85 0.00 0.00 -0.60 0.00 0.00 54.58 53.17 2wdn n ASN 55 Cb 0.56 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.83 2wdn n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wdn n GLY 56 N -0.05 0.77 1.29 8.20 0.00 -1.26 -4.48 105.19 109.66 2wdn n GLY 56 Ca -0.01 0.59 -0.07 0.00 0.00 0.00 0.00 46.02 46.53 2wdn n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wdn n PHE 57 N 0.00 -2.92 -1.22 1.61 -0.00 -1.26 -4.49 117.46 109.18 2wdn n PHE 57 Ca 0.00 -0.66 -0.02 0.00 -0.00 0.00 0.00 57.45 56.76 2wdn n PHE 57 Cb 0.00 -0.20 -0.00 0.00 -0.00 0.00 0.00 39.48 39.27 2wdn n PHE 57 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2wdn n ASN 58 N -2.84 -0.24 -4.63 -2.13 2.04 -1.26 -4.79 115.26 101.40 2wdn n ASN 58 Ca 0.05 0.01 -0.41 0.00 -0.44 0.00 0.00 54.58 53.79 2wdn n ASN 58 Cb 0.20 -0.23 -0.06 0.00 -2.53 0.00 0.00 39.78 37.16 2wdn n ASN 58 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 2wdn s THR 59 N -0.67 4.92 0.43 5.53 -4.23 -1.26 -4.81 115.64 115.55 2wdn s THR 59 Ca 0.04 1.27 0.04 0.00 -1.18 0.00 0.00 61.69 61.86 2wdn s THR 59 Cb -0.03 -4.01 0.01 0.00 1.34 0.00 0.00 72.50 69.81 2wdn s THR 59 CO 0.05 -0.03 0.62 0.42 -0.54 0.00 0.00 174.62 175.14 2wdn s THR 60 N 2.65 3.57 -0.00 3.99 -4.23 -0.93 -4.31 115.64 116.37 2wdn s THR 60 Ca 0.29 -0.77 -0.10 0.00 -1.18 0.00 0.00 61.69 59.93 2wdn s THR 60 Cb -0.15 -3.28 0.01 0.00 1.34 0.00 0.00 72.50 70.42 2wdn s THR 60 CO 0.08 -0.15 0.21 0.72 -0.54 0.00 0.00 174.62 174.94 2wdn s PHE 61 N -2.45 -0.05 -0.03 3.99 -0.12 0.28 -1.30 117.98 118.30 2wdn s PHE 61 Ca 0.50 0.02 0.05 0.00 -0.05 0.00 0.00 56.93 57.45 2wdn s PHE 61 Cb -0.10 0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 42.29 2wdn s PHE 61 CO 0.35 -0.34 -0.18 0.95 -0.05 0.00 0.00 175.22 175.95 2wdn s THR 62 N -1.43 1.50 0.09 -4.49 -4.23 0.13 -0.40 115.64 106.81 2wdn s THR 62 Ca -0.14 -0.78 0.10 0.00 -1.18 0.00 0.00 61.69 59.69 2wdn s THR 62 Cb -0.06 -1.27 -0.03 0.00 1.34 0.00 0.00 72.50 72.48 2wdn s THR 62 CO 0.02 0.43 -0.26 0.68 -0.54 0.00 0.00 174.62 174.95 2wdn s VAL 63 N -0.18 2.27 -0.12 2.29 -7.23 -0.55 -0.02 120.40 116.86 2wdn s VAL 63 Ca 0.01 -1.55 -0.06 0.00 -1.81 0.00 0.00 61.98 58.57 2wdn s VAL 63 Cb -0.10 -1.95 0.05 0.00 0.56 0.00 0.00 36.38 34.94 2wdn s VAL 63 CO 0.01 0.22 0.28 -0.60 -0.31 0.00 0.00 175.10 174.70 2wdn s ARG 64 N -1.67 0.22 0.19 4.82 3.52 0.50 0.50 118.95 127.03 2wdn s ARG 64 Ca 0.13 0.62 -0.02 0.00 -0.13 0.00 0.00 55.73 56.34 2wdn s ARG 64 Cb -0.10 -0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.17 2wdn s ARG 64 CO 0.04 -0.19 0.13 0.21 -0.81 0.00 0.00 175.30 174.69 2wdn s LYS 65 N 1.53 1.16 -0.48 5.12 2.47 -0.19 -2.84 119.74 126.52 2wdn s LYS 65 Ca -0.07 -1.57 -0.23 0.00 -1.56 0.00 0.00 55.97 52.54 2wdn s LYS 65 Cb -0.10 0.28 0.03 0.00 -1.46 0.00 0.00 37.83 36.57 2wdn s LYS 65 CO -0.09 -0.38 0.82 0.08 0.16 0.00 0.00 175.35 175.94 2wdn s VAL 66 N -4.13 4.59 -0.65 4.02 1.01 -1.26 0.15 120.40 124.14 2wdn s VAL 66 Ca 0.35 0.37 -0.13 0.00 0.00 0.00 0.00 61.98 62.57 2wdn s VAL 66 Cb 0.07 -4.38 0.17 0.00 0.00 0.00 0.00 36.38 32.24 2wdn s VAL 66 CO 0.10 -0.82 0.58 -0.55 0.00 0.00 0.00 175.10 174.41 2wdn s SER 67 N 2.32 6.27 1.40 3.32 0.15 0.18 -4.92 113.70 122.42 2wdn s SER 67 Ca 0.30 -2.24 0.00 0.00 0.70 0.00 0.00 55.95 54.71 2wdn s SER 67 Cb -0.12 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2wdn s SER 67 CO 0.22 -0.69 0.00 -1.22 1.20 0.00 0.00 173.24 172.75 2wdn n TYR 68 N 4.56 0.00 -0.04 3.44 0.53 -1.26 -3.10 117.16 121.30 2wdn n TYR 68 Ca -0.01 0.00 -0.22 0.00 -1.02 0.00 0.00 57.90 56.66 2wdn n TYR 68 Cb 0.43 0.00 -0.13 0.00 -1.03 0.00 0.00 39.34 38.61 2wdn n TYR 68 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 2wdn h GLY 69 N 0.00 0.19 -2.58 2.72 0.00 -2.01 -3.47 103.07 97.91 2wdn h GLY 69 Ca 0.00 -0.47 -0.50 0.00 0.00 0.00 0.00 47.33 46.36 2wdn h GLY 69 CO 0.00 0.42 0.06 0.14 0.00 0.00 0.00 176.54 177.16 2wdn s VAL 70 N -2.48 4.84 0.03 4.60 1.01 -1.18 -5.07 120.40 122.16 2wdn s VAL 70 Ca -0.25 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2wdn s VAL 70 Cb 0.06 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2wdn s VAL 70 CO 0.70 -0.50 0.12 -0.83 0.00 0.00 0.00 175.10 174.59 2wdn s GLY 71 N -3.22 2.08 0.01 4.51 0.00 -1.26 0.48 107.32 109.92 2wdn s GLY 71 Ca 0.49 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 44.35 2wdn s GLY 71 CO 0.32 -0.82 -0.08 0.14 0.00 0.00 0.00 173.10 172.66 2wdn s VAL 72 N -1.33 0.64 -0.11 1.40 1.01 0.40 -4.86 120.40 117.55 2wdn s VAL 72 Ca 0.28 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 2wdn s VAL 72 Cb -0.12 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 2wdn s VAL 72 CO 0.20 0.00 -0.08 -1.61 0.00 0.00 0.00 175.10 173.61 2wdn s GLU 73 N -0.67 3.21 -0.10 2.72 2.02 -1.26 -1.03 118.70 123.60 2wdn s GLU 73 Ca -0.01 -0.58 0.04 0.00 0.02 0.00 0.00 54.97 54.44 2wdn s GLU 73 Cb -0.05 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.48 2wdn s GLU 73 CO 0.00 0.41 -0.23 1.03 0.02 0.00 0.00 175.26 176.49 2wdn s ARG 74 N -0.12 2.91 -0.33 1.61 1.81 0.18 -4.96 118.95 120.05 2wdn s ARG 74 Ca 0.01 -0.83 -0.12 0.00 -1.72 0.00 0.00 55.73 53.07 2wdn s ARG 74 Cb -0.13 -2.23 -0.02 0.00 -0.45 0.00 0.00 34.95 32.12 2wdn s ARG 74 CO 0.03 0.14 0.22 0.42 -0.68 0.00 0.00 175.30 175.43 2wdn s ILE 75 N 0.44 5.22 -0.15 1.52 1.01 -1.26 -1.48 121.20 126.49 2wdn s ILE 75 Ca -0.17 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.31 2wdn s ILE 75 Cb -0.17 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.65 2wdn s ILE 75 CO 0.07 0.04 -0.16 -0.36 0.00 0.00 0.00 174.94 174.53 2wdn s PHE 76 N 1.72 2.77 -0.65 3.97 2.99 0.46 -4.97 117.98 124.26 2wdn s PHE 76 Ca 0.06 -1.08 0.17 0.00 0.00 0.00 0.00 56.93 56.09 2wdn s PHE 76 Cb -0.17 -1.88 0.77 0.00 0.00 0.00 0.00 43.02 41.73 2wdn s PHE 76 CO 0.10 -0.49 1.52 -2.30 -0.00 0.00 0.00 175.22 174.05 2wdn n PRO 77 N 4.06 0.10 -0.97 0.24 -0.02 -1.26 -0.56 135.00 136.59 2wdn n PRO 77 Ca -0.19 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2wdn n PRO 77 Cb 0.52 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2wdn n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2wdn n LEU 78 N -1.92 0.34 -3.87 2.45 0.00 -1.26 -4.20 117.00 108.53 2wdn n LEU 78 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.91 2wdn n LEU 78 Cb 0.14 -1.07 -0.10 0.00 0.00 0.00 0.00 43.42 42.38 2wdn n LEU 78 CO 0.13 -0.31 -0.18 -1.00 0.00 0.00 0.00 177.39 176.02 2wdn s HIS 79 N -1.87 0.02 0.00 1.96 3.76 -1.26 -4.87 115.29 113.03 2wdn s HIS 79 Ca 0.00 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 54.83 2wdn s HIS 79 Cb 0.00 -0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.65 2wdn s HIS 79 CO 0.00 -0.25 0.00 0.45 -0.85 0.00 0.00 174.74 174.09 2wdn n SER 80 N 1.68 0.00 -4.45 1.40 2.88 -1.26 -4.87 113.62 108.99 2wdn n SER 80 Ca -0.21 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.89 2wdn n SER 80 Cb 0.56 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.98 2wdn n SER 80 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2wdn s PRO 81 N 0.00 3.13 -0.40 -1.46 0.02 -1.26 -4.79 135.00 130.24 2wdn s PRO 81 Ca 0.00 -0.83 -0.00 0.00 0.02 0.00 0.00 61.00 60.18 2wdn s PRO 81 Cb 0.00 -4.21 0.19 0.00 0.02 0.00 0.00 34.50 30.51 2wdn s PRO 81 CO 0.00 -1.71 0.89 -0.51 -0.33 0.00 0.00 177.00 175.34 2wdn s LEU 82 N 3.80 -0.88 0.00 -5.54 1.02 -1.26 -4.48 118.68 111.34 2wdn s LEU 82 Ca 0.21 -0.77 0.00 0.00 0.02 0.00 0.00 54.13 53.59 2wdn s LEU 82 Cb -0.17 1.14 0.00 0.00 0.02 0.00 0.00 46.19 47.17 2wdn s LEU 82 CO 0.11 -0.06 0.14 2.30 0.02 0.00 0.00 176.35 178.85 2wdn n ILE 83 N 3.34 0.13 -0.68 -0.59 -6.64 -1.25 -4.72 119.36 108.94 2wdn n ILE 83 Ca 0.12 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.10 2wdn n ILE 83 Cb 0.60 -0.49 0.00 0.00 -1.44 0.00 0.00 39.64 38.31 2wdn n ILE 83 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2wdn n GLN 84 N 0.84 -0.28 0.00 6.28 10.64 -1.26 -5.08 117.38 128.52 2wdn n GLN 84 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2wdn n GLN 84 Cb 0.07 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.45 2wdn n GLN 84 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2wdn n LYS 85 N 0.00 0.00 -0.39 2.61 4.81 -1.26 -4.63 118.16 119.30 2wdn n LYS 85 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 2wdn n LYS 85 Cb 0.00 0.00 0.23 0.00 0.02 0.00 0.00 35.03 35.28 2wdn n LYS 85 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 2wdn n ILE 86 N 0.00 0.00 -3.99 3.15 3.06 -1.26 -4.75 119.36 115.57 2wdn n ILE 86 Ca 0.00 -0.09 -0.09 0.00 -2.50 0.00 0.00 62.75 60.07 2wdn n ILE 86 Cb 0.00 -0.79 -0.11 0.00 0.54 0.00 0.00 39.64 39.28 2wdn n ILE 86 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 2wdn s ASP 87 N -2.53 0.29 0.00 9.51 1.47 -1.26 -4.34 116.67 119.81 2wdn s ASP 87 Ca 0.56 -0.54 0.00 0.00 1.18 0.00 0.00 52.55 53.74 2wdn s ASP 87 Cb -0.12 0.10 0.00 0.00 -0.34 0.00 0.00 42.92 42.57 2wdn s ASP 87 CO 0.50 -0.32 0.00 -0.38 0.68 0.00 0.00 175.17 175.65 2wdn n ILE 88 N 1.48 0.00 -3.76 2.11 5.41 -0.30 -4.89 119.36 119.41 2wdn n ILE 88 Ca -0.23 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.27 2wdn n ILE 88 Cb 0.55 -0.89 -0.17 0.00 -0.71 0.00 0.00 39.64 38.42 2wdn n ILE 88 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2wdn s VAL 89 N 0.00 0.46 -0.99 1.39 1.01 -0.96 -5.02 120.40 116.28 2wdn s VAL 89 Ca 0.00 -0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.53 2wdn s VAL 89 Cb 0.00 -0.77 -0.15 0.00 0.00 0.00 0.00 36.38 35.46 2wdn s VAL 89 CO 0.00 0.05 2.15 -1.10 0.00 0.00 0.00 175.10 176.20 2wdn s GLN 90 N 1.92 1.71 0.00 2.72 -0.21 -1.26 -3.70 119.66 120.84 2wdn s GLN 90 Ca 0.02 -0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.13 2wdn s GLN 90 Cb -0.14 -4.98 0.00 0.00 1.00 0.00 0.00 33.01 28.88 2wdn s GLN 90 CO -0.07 -4.65 0.00 0.54 -2.12 0.00 0.00 175.29 168.99 2wdn n ARG 91 N 8.47 0.42 0.00 2.91 1.74 -1.26 -3.70 116.66 125.24 2wdn n ARG 91 Ca 0.43 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 2wdn n ARG 91 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 2wdn n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdn n GLY 92 N 2.66 0.49 5.00 -0.13 0.00 -1.24 -4.25 105.19 107.72 2wdn n GLY 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdn n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wdn n ARG 93 N 0.00 0.00 -1.40 1.61 0.63 -1.26 -4.00 116.66 112.24 2wdn n ARG 93 Ca 0.00 0.00 0.17 0.00 -0.92 0.00 0.00 57.85 57.10 2wdn n ARG 93 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 2wdn n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdn n ALA 94 N 0.00 -3.66 -0.54 5.13 0.00 -1.26 -4.81 120.51 115.37 2wdn n ALA 94 Ca 0.00 0.83 0.01 0.00 0.00 0.00 0.00 53.44 54.28 2wdn n ALA 94 Cb 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 19.45 17.96 2wdn n ALA 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdn n ARG 95 N -4.25 1.65 -3.69 0.00 5.12 -1.26 -5.06 116.66 109.16 2wdn n ARG 95 Ca -0.08 -1.19 -0.14 0.00 -1.93 0.00 0.00 57.85 54.51 2wdn n ARG 95 Cb 0.65 -0.83 -0.08 0.00 -1.16 0.00 0.00 32.46 31.04 2wdn n ARG 95 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2wdn s ARG 96 N -0.72 0.75 0.13 5.56 1.70 -1.26 -5.06 118.95 120.04 2wdn s ARG 96 Ca 0.02 0.03 -0.19 0.00 -0.47 0.00 0.00 55.73 55.12 2wdn s ARG 96 Cb 0.02 0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.69 2wdn s ARG 96 CO 0.00 -0.21 1.78 0.00 -1.08 0.00 0.00 175.30 175.79 2wdn h ALA 97 N 3.85 0.28 -3.12 7.88 0.00 -1.97 -3.38 119.26 122.81 2wdn h ALA 97 Ca -0.29 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 53.92 2wdn h ALA 97 Cb 1.17 -0.07 -0.28 0.00 0.00 0.00 0.00 17.79 18.61 2wdn h ALA 97 CO 0.37 -0.26 -0.60 0.15 0.00 0.00 0.00 179.25 178.91 2wdn s LYS 98 N -6.17 2.70 -0.77 0.00 3.01 -1.26 -4.47 119.74 112.77 2wdn s LYS 98 Ca -0.13 -1.13 0.03 0.00 -1.01 0.00 0.00 55.97 53.73 2wdn s LYS 98 Cb 0.09 -3.46 0.31 0.00 -1.01 0.00 0.00 37.83 33.76 2wdn s LYS 98 CO 0.70 -0.64 1.20 1.47 0.51 0.00 0.00 175.35 178.59 2wdn n LEU 99 N 4.83 5.34 0.13 3.17 -0.00 -1.11 -4.76 117.00 124.58 2wdn n LEU 99 Ca -0.13 -5.51 0.12 0.00 -0.00 0.00 0.00 56.01 50.49 2wdn n LEU 99 Cb 0.45 -0.82 0.48 0.00 -0.00 0.00 0.00 43.42 43.53 2wdn n LEU 99 CO 0.32 2.14 0.86 -1.22 -0.00 0.00 0.00 177.39 179.49 2wdn n TYR 100 N 0.20 0.82 0.28 1.47 4.02 -1.26 -3.38 117.16 119.31 2wdn n TYR 100 Ca 0.34 0.31 0.17 0.00 -0.01 0.00 0.00 57.90 58.72 2wdn n TYR 100 Cb 0.35 -1.01 0.92 0.00 -0.02 0.00 0.00 39.34 39.59 2wdn n TYR 100 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2wdn h PHE 101 N 0.00 0.00 -0.29 -0.72 -0.00 -1.97 -1.52 116.94 112.45 2wdn h PHE 101 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 57.86 2wdn h PHE 101 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.35 2wdn h PHE 101 CO 0.00 0.00 -0.30 -0.84 -0.00 0.00 0.00 178.31 177.17 2wdn h ILE 102 N 0.00 1.28 0.00 0.88 3.07 -1.81 -3.33 117.51 117.60 2wdn h ILE 102 Ca 0.00 -1.40 0.00 0.00 1.55 0.00 0.00 64.86 65.01 2wdn h ILE 102 Cb 0.17 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.11 2wdn h ILE 102 CO 0.00 0.45 0.00 0.54 -1.05 0.00 0.00 178.15 178.09 2wdn n ARG 103 N -4.09 0.00 -0.03 0.16 1.74 -0.57 -2.26 116.66 111.62 2wdn n ARG 103 Ca -0.01 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2wdn n ARG 103 Cb 0.45 -0.40 0.00 0.00 -1.02 0.00 0.00 32.46 31.49 2wdn n ARG 103 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wdn n ASN 104 N 0.00 -0.05 -3.75 0.55 3.02 -1.26 -3.03 115.26 110.74 2wdn n ASN 104 Ca 0.00 0.13 -0.29 0.00 -0.03 0.00 0.00 54.58 54.38 2wdn n ASN 104 Cb 0.00 -0.03 -0.15 0.00 -0.61 0.00 0.00 39.78 38.99 2wdn n ASN 104 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wdn s LEU 105 N -8.21 2.08 0.41 3.41 1.43 -1.16 -5.11 118.68 111.53 2wdn s LEU 105 Ca -0.01 -1.46 0.05 0.00 -1.03 0.00 0.00 54.13 51.68 2wdn s LEU 105 Cb 0.01 -0.84 -0.06 0.00 0.03 0.00 0.00 46.19 45.34 2wdn s LEU 105 CO 0.05 -0.38 0.03 -0.94 0.23 0.00 0.00 176.35 175.34 2wdn s SER 106 N 1.64 3.52 0.00 2.29 1.04 -0.96 -4.61 113.70 116.62 2wdn s SER 106 Ca 0.07 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.04 2wdn s SER 106 Cb -0.17 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.88 2wdn s SER 106 CO -0.21 -0.60 0.00 -0.90 0.98 0.00 0.00 173.24 172.51 2wdn n ASP 107 N -0.99 0.00 -0.01 7.02 5.75 -1.26 -4.74 116.55 122.31 2wdn n ASP 107 Ca -0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 54.79 54.62 2wdn n ASP 107 Cb 0.67 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.62 2wdn n ASP 107 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 2wdn h ARG 108 N 0.00 0.00 -0.74 0.11 2.43 -1.99 -3.30 114.38 110.89 2wdn h ARG 108 Ca 0.00 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2wdn h ARG 108 Cb 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 2wdn h ARG 108 CO 0.00 0.54 0.49 0.93 -1.51 0.00 0.00 179.97 180.42 2wdn h GLU 109 N 0.00 0.86 -0.66 0.20 5.08 -1.92 -0.62 114.58 117.52 2wdn h GLU 109 Ca -0.26 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2wdn h GLU 109 Cb 1.99 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 31.02 2wdn h GLU 109 CO 0.08 0.57 0.33 0.82 -1.00 0.00 0.00 179.01 179.82 2wdn h ILE 110 N 0.89 1.22 0.00 3.13 2.04 -1.85 0.84 117.51 123.78 2wdn h ILE 110 Ca 0.30 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.56 2wdn h ILE 110 Cb 0.08 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2wdn h ILE 110 CO -0.09 0.25 0.00 0.54 0.00 0.00 0.00 178.15 178.85 2wdn n ARG 111 N -4.49 0.45 -0.08 2.37 1.74 -0.34 -1.21 116.66 115.10 2wdn n ARG 111 Ca 0.05 0.04 -0.11 0.00 -0.77 0.00 0.00 57.85 57.05 2wdn n ARG 111 Cb 0.12 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 29.91 2wdn n ARG 111 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wdn n ARG 112 N -1.23 0.68 0.05 5.56 1.74 -0.59 -4.22 116.66 118.65 2wdn n ARG 112 Ca 0.14 0.09 -0.03 0.00 -0.77 0.00 0.00 57.85 57.28 2wdn n ARG 112 Cb 0.18 -1.59 -0.08 0.00 -1.02 0.00 0.00 32.46 29.95 2wdn n ARG 112 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2wdn h LYS 113 N 0.00 0.00 -2.37 5.56 6.56 -0.67 -3.37 116.57 122.29 2wdn h LYS 113 Ca -0.49 0.00 -0.68 0.00 -1.06 0.00 0.00 60.65 58.43 2wdn h LYS 113 Cb 2.14 0.00 -0.37 0.00 -0.57 0.00 0.00 32.23 33.44 2wdn h LYS 113 CO 0.03 0.58 -0.04 1.28 -2.06 0.00 0.00 179.45 179.24 2wdn n LEU 114 N -3.13 5.19 0.00 2.94 4.77 -0.35 -4.53 117.00 121.89 2wdn n LEU 114 Ca -0.06 -5.47 0.00 0.00 -0.03 0.00 0.00 56.01 50.45 2wdn n LEU 114 Cb 0.89 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2wdn n LEU 114 CO 0.44 2.09 0.00 0.54 -1.33 0.00 0.00 177.39 179.13 2wdn n ARG 115 N 0.40 0.00 -3.15 3.23 5.12 -1.26 -3.65 116.66 117.36 2wdn n ARG 115 Ca 0.33 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.30 2wdn n ARG 115 Cb 0.36 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.65 2wdn n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wdn s ALA 116 N -2.31 -3.24 -0.70 7.54 0.00 -1.26 -3.97 121.76 117.82 2wdn s ALA 116 Ca 0.00 1.49 -0.23 0.00 0.00 0.00 0.00 51.96 53.22 2wdn s ALA 116 Cb 0.00 -2.47 -0.18 0.00 0.00 0.00 0.00 23.12 20.47 2wdn s ALA 116 CO 0.00 -1.51 1.89 -3.47 0.00 0.00 0.00 175.76 172.67 2wdn n ASP 117 N 5.43 2.37 -0.33 0.00 -0.08 -1.24 -4.74 116.55 117.96 2wdn n ASP 117 Ca -0.04 -2.66 0.24 0.00 -1.51 0.00 0.00 54.79 50.82 2wdn n ASP 117 Cb 0.54 -1.07 0.46 0.00 2.34 0.00 0.00 41.12 43.38 2wdn n ASP 117 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2wdn h ARG 118 N 8.21 0.05 -0.25 -0.67 3.08 -1.97 -1.12 114.38 121.71 2wdn h ARG 118 Ca 0.40 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.49 2wdn h ARG 118 Cb 0.68 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.65 2wdn h ARG 118 CO 1.94 0.03 -0.46 -0.22 -1.07 0.00 0.00 179.97 180.19 2wdn h LYS 119 N 0.05 -0.43 0.00 0.04 3.64 -1.93 1.31 116.57 119.24 2wdn h LYS 119 Ca 0.73 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 60.14 2wdn h LYS 119 Cb 1.77 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.69 2wdn h LYS 119 CO -0.80 -0.29 0.00 0.00 -2.27 0.00 0.00 179.45 176.09 2wdn h ARG 120 N -0.45 0.00 0.00 1.90 3.08 -1.52 -2.38 114.38 115.01 2wdn h ARG 120 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2wdn h ARG 120 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2wdn h ARG 120 CO -0.48 0.00 -0.01 0.82 -1.07 0.00 0.00 179.97 179.22 2wdn h ILE 121 N 0.00 0.00 0.00 2.04 1.08 0.22 -3.34 117.51 117.51 2wdn h ILE 121 Ca 0.00 -0.83 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 2wdn h ILE 121 Cb 0.24 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.99 2wdn h ILE 121 CO 0.00 0.00 0.12 0.47 -0.69 0.00 0.00 178.15 178.05 2wdn n ASP 122 N -4.31 0.24 -1.70 1.72 8.00 0.40 -0.43 116.55 120.47 2wdn n ASP 122 Ca -0.00 0.54 0.08 0.00 0.71 0.00 0.00 54.79 56.12 2wdn n ASP 122 Cb 0.01 -0.55 0.38 0.00 -0.02 0.00 0.00 41.12 40.94 2wdn n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wdn n GLN 123 N -1.80 4.37 -0.01 -1.24 10.64 -0.91 -3.51 117.38 124.93 2wdn n GLN 123 Ca -0.01 -3.05 -0.01 0.00 -1.83 0.00 0.00 57.00 52.11 2wdn n GLN 123 Cb 0.13 -2.11 -0.01 0.00 -0.86 0.00 0.00 30.24 27.39 2wdn n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2wdn n ASP 124 N 0.67 4.49 0.00 2.61 9.92 0.42 -3.48 116.55 131.18 2wdn n ASP 124 Ca 0.27 -0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.65 2wdn n ASP 124 Cb 1.08 0.40 0.75 0.00 -0.64 0.00 0.00 41.12 42.71 2wdn n ASP 124 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2wdn n ARG 125 N -2.17 0.83 -0.02 -1.24 5.12 -1.12 -0.71 116.66 117.35 2wdn n ARG 125 Ca -0.02 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.92 2wdn n ARG 125 Cb 0.54 -1.48 -0.07 0.00 -1.16 0.00 0.00 32.46 30.29 2wdn n ARG 125 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wdn n ALA 126 N -0.98 2.20 1.69 7.54 0.00 -1.23 -4.30 120.51 125.43 2wdn n ALA 126 Ca 0.19 -0.33 0.05 0.00 0.00 0.00 0.00 53.44 53.35 2wdn n ALA 126 Cb 0.09 -0.22 0.21 0.00 0.00 0.00 0.00 19.45 19.53 2wdn n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdn n ALA 127 N -1.97 2.52 0.93 0.00 0.00 0.11 -3.93 120.51 118.17 2wdn n ALA 127 Ca -0.05 -0.21 0.01 0.00 0.00 0.00 0.00 53.44 53.19 2wdn n ALA 127 Cb 0.40 -1.08 0.04 0.00 0.00 0.00 0.00 19.45 18.81 2wdn n ALA 127 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2wdn n GLU 128 N -0.28 0.47 -1.22 0.00 -0.00 -1.00 -4.82 120.64 113.78 2wdn n GLU 128 Ca 0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 57.16 57.10 2wdn n GLU 128 Cb 0.11 -1.05 -0.14 0.00 -0.00 0.00 0.00 31.44 30.36 2wdn n GLU 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2wdn n ARG 129 N -0.55 0.00 -0.00 3.44 3.00 -1.25 -4.65 116.66 116.65 2wdn n ARG 129 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.86 2wdn n ARG 129 Cb 0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 32.46 31.55 2wdn n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wdn n ALA 130 N 4.73 0.01 -2.66 5.13 0.00 -1.26 -5.09 120.51 121.37 2wdn n ALA 130 Ca 0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 53.44 53.62 2wdn n ALA 130 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.67 2wdn n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdn n ALA 131 N -2.46 -1.94 0.63 0.00 0.00 -1.26 -4.70 120.51 110.77 2wdn n ALA 131 Ca -0.00 0.81 0.00 0.00 0.00 0.00 0.00 53.44 54.25 2wdn n ALA 131 Cb 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.52 2wdn n ALA 131 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdn n LYS 132 N 2.12 0.79 0.09 0.00 5.02 -1.26 -4.22 118.16 120.70 2wdn n LYS 132 Ca -0.13 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.21 2wdn n LYS 132 Cb 0.20 -1.10 0.28 0.00 -0.02 0.00 0.00 35.03 34.39 2wdn n LYS 132 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2wdn n GLU 133 N 0.74 0.07 -2.48 1.97 4.07 -1.26 -4.54 120.64 119.20 2wdn n GLU 133 Ca 0.00 0.52 -0.28 0.00 -0.06 0.00 0.00 57.16 57.34 2wdn n GLU 133 Cb 0.40 -1.84 -0.00 0.00 -0.06 0.00 0.00 31.44 29.94 2wdn n GLU 133 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2wdn s GLU 134 N -3.18 3.57 -1.47 5.31 2.56 -1.26 -3.09 118.70 121.14 2wdn s GLU 134 Ca -0.01 0.34 0.00 0.00 0.00 0.00 0.00 54.97 55.30 2wdn s GLU 134 Cb 0.03 -2.31 0.00 0.00 2.00 0.00 0.00 34.13 33.85 2wdn s GLU 134 CO 0.09 -0.27 0.00 0.00 -0.56 0.00 0.00 175.26 174.52 2wdn n ALA 135 N -2.30 -0.27 -0.49 6.30 0.00 -1.26 -4.65 120.51 117.84 2wdn n ALA 135 Ca 0.02 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2wdn n ALA 135 Cb 0.55 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2wdn n ALA 135 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wdn n GLN 136 N -2.53 0.49 -2.96 0.00 -0.06 -1.25 -4.96 117.38 106.10 2wdn n GLN 136 Ca -0.15 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.53 2wdn n GLN 136 Cb 0.51 -0.04 -0.03 0.00 -4.06 0.00 0.00 30.24 26.62 2wdn n GLN 136 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2wdn n LYS 137 N 0.00 3.77 0.00 3.69 4.76 -1.18 -5.13 118.16 124.07 2wdn n LYS 137 Ca 0.00 -4.76 0.00 0.00 -2.87 0.00 0.00 58.31 50.68 2wdn n LYS 137 Cb 0.00 -2.32 0.00 0.00 -1.84 0.00 0.00 35.03 30.87 2wdn n LYS 137 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03