#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wft n SER 2 N 0.00 1.45 -4.58 1.61 2.88 -1.26 -4.75 113.62 108.98 1wft n SER 2 Ca 0.00 0.23 -0.55 0.00 -1.33 0.00 0.00 58.87 57.22 1wft n SER 2 Cb 0.00 -0.54 -0.07 0.00 -0.75 0.00 0.00 64.21 62.85 1wft n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wft n SER 3 N -3.95 1.15 0.00 -3.46 2.88 -1.26 -4.71 113.62 104.27 1wft n SER 3 Ca -0.16 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 1wft n SER 3 Cb 0.44 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 1wft n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wft n GLY 4 N 2.38 0.35 0.08 0.46 0.00 -1.26 -5.05 105.19 102.16 1wft n GLY 4 Ca 0.20 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1wft n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wft h SER 5 N 0.00 -0.12 -3.55 1.61 0.02 -2.02 -3.41 113.55 106.07 1wft h SER 5 Ca 0.00 0.03 -0.52 0.00 -0.84 0.00 0.00 61.79 60.46 1wft h SER 5 Cb 0.00 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1wft h SER 5 CO 0.00 -0.05 0.47 -0.44 -1.14 0.00 0.00 176.83 175.66 1wft s SER 6 N -5.17 7.29 0.00 3.07 0.01 -1.26 -4.92 113.70 112.71 1wft s SER 6 Ca -0.13 2.05 0.00 0.00 1.31 0.00 0.00 55.95 59.18 1wft s SER 6 Cb 0.08 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1wft s SER 6 CO 0.67 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.72 1wft n GLY 7 N 2.11 -0.26 3.64 3.44 0.00 -1.26 -5.03 105.19 107.83 1wft n GLY 7 Ca 0.03 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 1wft n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wft s PRO 8 N -2.00 -0.35 0.23 1.61 0.04 -1.26 -4.77 135.00 128.50 1wft s PRO 8 Ca 0.00 0.24 0.07 0.00 0.04 0.00 0.00 61.00 61.35 1wft s PRO 8 Cb 0.00 -1.67 -0.05 0.00 0.04 0.00 0.00 34.50 32.82 1wft s PRO 8 CO 0.00 -3.19 -0.10 0.20 0.04 0.00 0.00 177.00 173.95 1wft s GLY 9 N -3.65 1.54 0.36 0.56 0.00 -1.26 -4.83 107.32 100.04 1wft s GLY 9 Ca 0.68 -1.73 -0.27 0.00 0.00 0.00 0.00 44.72 43.39 1wft s GLY 9 CO 0.57 -1.76 1.24 0.00 0.00 0.00 0.00 173.10 173.15 1wft s ALA 10 N -3.06 3.34 0.73 3.20 0.00 -1.26 -4.49 121.76 120.23 1wft s ALA 10 Ca 0.25 1.13 -0.12 0.00 0.00 0.00 0.00 51.96 53.22 1wft s ALA 10 Cb 0.02 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 19.74 1wft s ALA 10 CO 0.08 -0.59 1.10 -1.25 0.00 0.00 0.00 175.76 175.10 1wft s PRO 11 N -1.97 2.44 0.22 0.00 0.04 -1.26 -4.34 135.00 130.12 1wft s PRO 11 Ca 0.52 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.83 1wft s PRO 11 Cb -0.36 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 1wft s PRO 11 CO 0.47 -1.51 0.03 -1.54 0.04 0.00 0.00 177.00 174.49 1wft s SER 12 N -3.12 1.37 -1.13 6.66 1.04 -0.74 -4.89 113.70 112.90 1wft s SER 12 Ca 0.63 -1.25 -0.02 0.00 0.48 0.00 0.00 55.95 55.79 1wft s SER 12 Cb -0.18 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 1wft s SER 12 CO 0.51 -0.60 0.95 0.41 0.98 0.00 0.00 173.24 175.49 1wft n THR 13 N -0.36 -6.73 -3.29 2.02 -1.04 -1.26 -1.54 114.28 102.08 1wft n THR 13 Ca -0.04 -0.72 -0.42 0.00 -2.04 0.00 0.00 64.05 60.83 1wft n THR 13 Cb 0.64 -5.36 -0.08 0.00 -1.82 0.00 0.00 70.33 63.71 1wft n THR 13 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1wft s VAL 14 N -3.36 5.05 0.01 12.58 1.01 -1.26 -3.59 120.40 130.84 1wft s VAL 14 Ca 0.12 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.19 1wft s VAL 14 Cb -0.02 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1wft s VAL 14 CO 0.72 -0.30 -0.23 0.00 0.00 0.00 0.00 175.10 175.28 1wft s ARG 15 N 2.27 1.74 -0.08 2.72 1.70 -0.76 -5.02 118.95 121.53 1wft s ARG 15 Ca 0.15 -0.90 0.04 0.00 -0.47 0.00 0.00 55.73 54.56 1wft s ARG 15 Cb -0.16 -1.77 -0.01 0.00 -0.57 0.00 0.00 34.95 32.44 1wft s ARG 15 CO 0.14 0.47 -0.21 0.42 -1.08 0.00 0.00 175.30 175.04 1wft s ILE 16 N -0.64 2.35 -0.05 4.99 1.01 -1.26 -2.96 121.20 124.64 1wft s ILE 16 Ca 0.09 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.76 1wft s ILE 16 Cb -0.09 -1.90 0.02 0.00 0.01 0.00 0.00 42.46 40.51 1wft s ILE 16 CO 0.00 0.56 0.13 -0.44 0.00 0.00 0.00 174.94 175.20 1wft s SER 17 N -0.07 -0.11 0.04 3.58 0.01 -1.19 -5.04 113.70 110.92 1wft s SER 17 Ca -0.05 0.26 -0.31 0.00 1.31 0.00 0.00 55.95 57.16 1wft s SER 17 Cb -0.14 0.21 -0.07 0.00 0.21 0.00 0.00 66.02 66.23 1wft s SER 17 CO 0.04 -0.09 1.43 -0.75 0.41 0.00 0.00 173.24 174.29 1wft s LYS 18 N 0.56 4.28 0.39 12.44 2.47 -1.26 -1.19 119.74 137.43 1wft s LYS 18 Ca -0.04 2.04 0.08 0.00 -1.56 0.00 0.00 55.97 56.49 1wft s LYS 18 Cb -0.06 -3.49 -0.06 0.00 -1.46 0.00 0.00 37.83 32.76 1wft s LYS 18 CO -0.03 -0.56 0.06 1.21 0.16 0.00 0.00 175.35 176.20 1wft s ASN 19 N 1.75 4.13 0.33 1.43 2.47 0.83 -4.66 114.94 121.22 1wft s ASN 19 Ca 0.65 -1.15 0.08 0.00 0.42 0.00 0.00 52.86 52.86 1wft s ASN 19 Cb -0.34 -0.46 0.79 0.00 -1.45 0.00 0.00 41.25 39.79 1wft s ASN 19 CO 0.28 -0.40 1.82 -0.37 -3.72 0.00 0.00 177.10 174.71 1wft h VAL 20 N 1.69 0.76 -0.19 -5.21 -1.51 -1.96 0.30 116.25 110.13 1wft h VAL 20 Ca -0.43 -0.25 -0.08 0.00 -1.23 0.00 0.00 66.70 64.71 1wft h VAL 20 Cb 1.25 -0.03 -0.05 0.00 -2.13 0.00 0.00 31.29 30.33 1wft h VAL 20 CO 0.73 0.13 0.10 0.47 -1.23 0.00 0.00 177.57 177.76 1wft n ASP 21 N -4.65 2.80 0.00 4.19 9.92 -1.26 -4.95 116.55 122.60 1wft n ASP 21 Ca 0.21 -2.30 0.00 0.00 -0.53 0.00 0.00 54.79 52.17 1wft n ASP 21 Cb 0.54 -0.56 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 1wft n ASP 21 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wft n GLY 22 N 0.14 0.96 3.39 0.44 0.00 0.10 -4.18 105.19 106.04 1wft n GLY 22 Ca 0.11 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 1wft n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wft s ILE 23 N 0.00 2.34 -0.39 -0.61 1.01 -1.06 -0.12 121.20 122.37 1wft s ILE 23 Ca 0.00 -1.41 0.04 0.00 0.00 0.00 0.00 60.65 59.27 1wft s ILE 23 Cb 0.00 -1.96 0.11 0.00 0.01 0.00 0.00 42.46 40.62 1wft s ILE 23 CO 0.00 0.30 0.11 -2.28 0.00 0.00 0.00 174.94 173.07 1wft s HIS 24 N -0.89 3.56 -0.28 3.97 2.46 -0.33 -1.46 115.29 122.31 1wft s HIS 24 Ca 0.13 -3.02 -0.24 0.00 0.47 0.00 0.00 55.06 52.41 1wft s HIS 24 Cb -0.10 -2.86 -0.00 0.00 -0.13 0.00 0.00 32.58 29.48 1wft s HIS 24 CO 0.04 -0.89 0.79 -1.17 -2.47 0.00 0.00 174.74 171.04 1wft s LEU 25 N 0.60 4.08 -0.02 8.88 2.96 -0.12 -3.17 118.68 131.89 1wft s LEU 25 Ca 0.13 0.81 0.02 0.00 -0.22 0.00 0.00 54.13 54.87 1wft s LEU 25 Cb -0.21 -3.10 0.00 0.00 0.50 0.00 0.00 46.19 43.38 1wft s LEU 25 CO -0.06 -0.56 -0.08 -0.94 -1.32 0.00 0.00 176.35 173.39 1wft s SER 26 N 1.50 1.04 0.30 3.68 1.04 -1.16 -1.07 113.70 119.03 1wft s SER 26 Ca 0.33 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1wft s SER 26 Cb -0.15 -0.28 -0.02 0.00 0.10 0.00 0.00 66.02 65.67 1wft s SER 26 CO 0.10 0.05 0.34 -1.66 0.98 0.00 0.00 173.24 173.05 1wft s TRP 27 N 0.23 1.25 0.16 5.02 -2.14 -0.59 -1.83 118.94 121.04 1wft s TRP 27 Ca -0.03 -1.38 0.10 0.00 2.66 0.00 0.00 56.10 57.44 1wft s TRP 27 Cb -0.08 -0.37 -0.04 0.00 -3.10 0.00 0.00 33.47 29.88 1wft s TRP 27 CO 0.00 -0.93 -0.22 -1.21 -2.66 0.00 0.00 176.95 171.93 1wft s GLU 28 N -3.51 1.34 0.88 3.25 0.41 -0.59 -4.76 118.70 115.72 1wft s GLU 28 Ca 0.35 -1.39 -0.11 0.00 -0.41 0.00 0.00 54.97 53.41 1wft s GLU 28 Cb 0.02 -1.60 0.12 0.00 -1.78 0.00 0.00 34.13 30.89 1wft s GLU 28 CO 0.20 0.35 1.09 -1.25 -0.49 0.00 0.00 175.26 175.16 1wft s PRO 29 N -2.46 1.41 0.84 0.39 0.04 -1.26 -1.79 135.00 132.17 1wft s PRO 29 Ca 0.15 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 61.95 1wft s PRO 29 Cb -0.08 -1.82 0.10 0.00 0.04 0.00 0.00 34.50 32.74 1wft s PRO 29 CO 0.07 -2.15 1.09 -1.25 0.04 0.00 0.00 177.00 174.80 1wft s PRO 30 N -4.93 1.67 0.06 0.56 0.04 -1.26 -4.27 135.00 126.87 1wft s PRO 30 Ca 0.63 0.97 0.23 0.00 0.04 0.00 0.00 61.00 62.87 1wft s PRO 30 Cb -0.18 -1.85 0.18 0.00 0.04 0.00 0.00 34.50 32.69 1wft s PRO 30 CO 0.57 -1.99 1.15 -2.37 0.04 0.00 0.00 177.00 174.39 1wft n THR 31 N -3.73 0.18 -1.19 1.26 5.66 -1.26 -4.95 114.28 110.25 1wft n THR 31 Ca 0.08 -0.21 -0.35 0.00 -3.05 0.00 0.00 64.05 60.53 1wft n THR 31 Cb 0.54 0.16 0.11 0.00 -1.55 0.00 0.00 70.33 69.59 1wft n THR 31 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1wft n SER 32 N -1.91 0.27 0.00 1.09 3.41 -1.26 -4.85 113.62 110.37 1wft n SER 32 Ca 0.03 0.59 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 1wft n SER 32 Cb 0.42 -1.41 0.43 0.00 -0.26 0.00 0.00 64.21 63.39 1wft n SER 32 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1wft n PRO 33 N -2.30 0.39 -1.53 4.33 -0.04 -1.26 -4.65 135.00 129.95 1wft n PRO 33 Ca 0.12 0.05 -0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1wft n PRO 33 Cb 0.50 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 1wft n PRO 33 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wft n SER 34 N -1.10 1.11 -1.99 3.54 7.64 -1.26 -4.85 113.62 116.71 1wft n SER 34 Ca 0.10 -2.15 0.00 0.00 1.01 0.00 0.00 58.87 57.83 1wft n SER 34 Cb 0.08 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 61.67 1wft n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wft n GLY 35 N 6.15 0.98 2.34 0.23 0.00 -1.26 -4.58 105.19 109.06 1wft n GLY 35 Ca 0.40 -1.48 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 1wft n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wft n ASN 36 N 0.00 -4.59 -4.54 1.61 3.02 -1.26 -4.79 115.26 104.70 1wft n ASN 36 Ca 0.00 0.23 -0.26 0.00 -0.03 0.00 0.00 54.58 54.52 1wft n ASN 36 Cb 0.00 -3.99 -0.08 0.00 -0.61 0.00 0.00 39.78 35.10 1wft n ASN 36 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1wft n ILE 37 N -2.96 -0.03 0.09 2.41 2.08 -1.26 -4.81 119.36 114.87 1wft n ILE 37 Ca -0.18 -0.56 -0.04 0.00 0.56 0.00 0.00 62.75 62.53 1wft n ILE 37 Cb 0.60 -1.93 -0.02 0.00 -0.75 0.00 0.00 39.64 37.54 1wft n ILE 37 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1wft h LEU 38 N 19.05 -0.19 -7.51 1.39 3.38 -1.87 -3.49 115.31 126.06 1wft h LEU 38 Ca -0.09 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1wft h LEU 38 Cb 1.15 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.85 1wft h LEU 38 CO 1.18 -0.10 0.08 -1.61 0.09 0.00 0.00 178.44 178.08 1wft s GLU 39 N -2.93 1.37 0.39 1.13 8.01 -1.26 -4.90 118.70 120.51 1wft s GLU 39 Ca -0.03 -0.77 0.08 0.00 0.01 0.00 0.00 54.97 54.26 1wft s GLU 39 Cb 0.00 0.54 -0.03 0.00 -4.31 0.00 0.00 34.13 30.33 1wft s GLU 39 CO 0.10 -0.59 0.27 0.71 0.01 0.00 0.00 175.26 175.76 1wft s TYR 40 N -3.84 2.70 -0.14 1.61 2.02 -1.16 -3.22 117.35 115.32 1wft s TYR 40 Ca 0.07 -0.48 -0.06 0.00 -0.37 0.00 0.00 57.07 56.22 1wft s TYR 40 Cb -0.01 -1.98 0.06 0.00 -0.40 0.00 0.00 41.96 39.63 1wft s TYR 40 CO -0.05 0.08 0.32 0.45 -1.57 0.00 0.00 175.55 174.78 1wft s SER 41 N -4.00 -0.14 -0.14 2.29 0.15 -1.25 -2.61 113.70 108.00 1wft s SER 41 Ca 0.43 0.71 -0.05 0.00 0.70 0.00 0.00 55.95 57.75 1wft s SER 41 Cb -0.01 0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 65.00 1wft s SER 41 CO 0.25 -0.20 0.03 0.00 1.20 0.00 0.00 173.24 174.52 1wft s ALA 42 N 1.86 3.34 0.17 5.45 0.00 -0.03 -3.78 121.76 128.77 1wft s ALA 42 Ca -0.05 -0.77 0.09 0.00 0.00 0.00 0.00 51.96 51.23 1wft s ALA 42 Cb -0.11 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 1wft s ALA 42 CO -0.10 0.38 -0.20 0.71 0.00 0.00 0.00 175.76 176.55 1wft s TYR 43 N -0.23 1.94 -0.07 0.00 1.51 -0.98 -1.95 117.35 117.56 1wft s TYR 43 Ca 0.07 -0.44 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 1wft s TYR 43 Cb -0.12 -0.97 0.02 0.00 -0.11 0.00 0.00 41.96 40.78 1wft s TYR 43 CO 0.02 0.37 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.55 1wft s LEU 44 N -2.66 1.56 0.22 -1.29 2.96 -0.22 -2.64 118.68 116.62 1wft s LEU 44 Ca 0.17 -0.30 -0.32 0.00 -0.22 0.00 0.00 54.13 53.46 1wft s LEU 44 Cb -0.06 -0.82 -0.12 0.00 0.50 0.00 0.00 46.19 45.68 1wft s LEU 44 CO 0.07 0.00 1.63 0.00 -1.32 0.00 0.00 176.35 176.74 1wft n ALA 45 N 4.02 2.28 -2.51 5.97 0.00 -1.12 -1.39 120.51 127.76 1wft n ALA 45 Ca -0.21 0.40 -0.24 0.00 0.00 0.00 0.00 53.44 53.39 1wft n ALA 45 Cb 0.51 -2.45 -0.10 0.00 0.00 0.00 0.00 19.45 17.42 1wft n ALA 45 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1wft s ILE 46 N 0.68 1.11 1.20 0.00 -4.36 -1.21 -2.16 121.20 116.45 1wft s ILE 46 Ca 0.72 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.97 1wft s ILE 46 Cb -0.55 -2.65 0.28 0.00 1.25 0.00 0.00 42.46 40.79 1wft s ILE 46 CO 0.40 0.00 0.86 -1.14 0.24 0.00 0.00 174.94 175.30 1wft n ARG 47 N -0.82 -2.57 -3.64 0.37 0.63 -1.24 -4.63 116.66 104.76 1wft n ARG 47 Ca -0.05 -0.73 -0.09 0.00 -0.92 0.00 0.00 57.85 56.07 1wft n ARG 47 Cb 0.66 -2.08 -0.07 0.00 0.45 0.00 0.00 32.46 31.42 1wft n ARG 47 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1wft s THR 48 N -2.36 0.00 1.26 5.15 -1.32 -1.26 -4.98 115.64 112.13 1wft s THR 48 Ca 0.67 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.99 1wft s THR 48 Cb -0.24 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.07 1wft s THR 48 CO 0.66 0.00 0.99 0.00 -2.21 0.00 0.00 174.62 174.06 1wft s ALA 49 N 0.97 -0.56 -1.40 11.08 0.00 -1.26 -3.74 121.76 126.85 1wft s ALA 49 Ca -0.05 -0.43 -0.13 0.00 0.00 0.00 0.00 51.96 51.36 1wft s ALA 49 Cb -0.05 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 19.97 1wft s ALA 49 CO -0.11 -4.11 0.24 0.00 0.00 0.00 0.00 175.76 171.78 1wft n GLN 50 N -5.17 -0.68 -3.59 0.00 10.64 -1.26 -4.89 117.38 112.43 1wft n GLN 50 Ca 0.06 0.07 -0.41 0.00 -1.83 0.00 0.00 57.00 54.90 1wft n GLN 50 Cb 0.57 -3.08 -0.11 0.00 -0.86 0.00 0.00 30.24 26.76 1wft n GLN 50 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 1wft s MET 51 N -7.35 2.76 0.35 2.61 1.75 -1.25 -5.08 119.30 113.10 1wft s MET 51 Ca 0.18 -1.20 -0.06 0.00 -1.25 0.00 0.00 55.69 53.36 1wft s MET 51 Cb -0.10 -3.75 -0.05 0.00 2.84 0.00 0.00 34.83 33.77 1wft s MET 51 CO 0.97 -0.78 0.64 -0.65 -0.65 0.00 0.00 175.02 174.54 1wft s GLN 52 N 1.52 3.64 0.15 4.11 1.11 -1.26 -5.00 119.66 123.92 1wft s GLN 52 Ca 0.02 0.11 -0.28 0.00 0.01 0.00 0.00 55.36 55.22 1wft s GLN 52 Cb -0.20 -2.55 -0.02 0.00 -1.01 0.00 0.00 33.01 29.23 1wft s GLN 52 CO 0.05 0.08 1.57 -0.44 0.01 0.00 0.00 175.29 176.57 1wft h ASP 53 N 1.26 -1.48 -2.22 5.90 3.32 -2.04 -3.42 116.42 117.75 1wft h ASP 53 Ca -0.48 0.22 -0.59 0.00 0.02 0.00 0.00 57.03 56.20 1wft h ASP 53 Cb 1.19 0.64 0.19 0.00 0.22 0.00 0.00 39.33 41.57 1wft h ASP 53 CO 0.64 -0.38 -1.07 0.59 -1.72 0.00 0.00 179.24 177.31 1wft n ASN 54 N -5.41 -3.37 -4.71 6.45 3.02 -1.26 -4.83 115.26 105.15 1wft n ASN 54 Ca -0.01 0.62 -0.42 0.00 -0.03 0.00 0.00 54.58 54.73 1wft n ASN 54 Cb 0.35 -0.91 -0.03 0.00 -0.61 0.00 0.00 39.78 38.58 1wft n ASN 54 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1wft s PRO 55 N -1.37 4.32 0.35 3.52 0.04 -1.26 -5.01 135.00 135.57 1wft s PRO 55 Ca 0.57 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.70 1wft s PRO 55 Cb -0.45 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 30.72 1wft s PRO 55 CO 0.66 -0.46 0.35 0.45 0.04 0.00 0.00 177.00 178.03 1wft s SER 56 N 1.34 1.57 0.50 6.66 0.15 -1.26 -5.13 113.70 117.52 1wft s SER 56 Ca 0.64 -1.72 -0.23 0.00 0.70 0.00 0.00 55.95 55.35 1wft s SER 56 Cb -0.35 0.60 -0.07 0.00 -1.71 0.00 0.00 66.02 64.50 1wft s SER 56 CO 0.29 -1.16 1.33 1.67 1.20 0.00 0.00 173.24 176.58 1wft n GLN 57 N -0.63 1.81 -3.82 5.44 7.27 -1.26 -5.00 117.38 121.18 1wft n GLN 57 Ca 0.06 0.66 -0.29 0.00 0.07 0.00 0.00 57.00 57.49 1wft n GLN 57 Cb 0.62 -2.52 -0.16 0.00 2.41 0.00 0.00 30.24 30.59 1wft n GLN 57 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1wft s LEU 58 N -2.83 2.28 0.42 1.69 1.43 -1.26 -5.12 118.68 115.29 1wft s LEU 58 Ca 0.67 -1.32 -0.22 0.00 -1.03 0.00 0.00 54.13 52.23 1wft s LEU 58 Cb -0.44 -0.96 -0.09 0.00 0.03 0.00 0.00 46.19 44.72 1wft s LEU 58 CO 0.53 -0.33 1.02 0.68 0.23 0.00 0.00 176.35 178.48 1wft s VAL 59 N 1.55 3.92 0.40 -1.59 -7.23 -1.26 -4.98 120.40 111.20 1wft s VAL 59 Ca 0.02 1.34 0.08 0.00 -1.81 0.00 0.00 61.98 61.60 1wft s VAL 59 Cb -0.18 -3.63 -0.05 0.00 0.56 0.00 0.00 36.38 33.08 1wft s VAL 59 CO -0.13 -0.12 0.13 -0.36 -0.31 0.00 0.00 175.10 174.31 1wft s PHE 60 N -1.85 2.60 -0.03 2.82 0.40 -1.26 -3.30 117.98 117.36 1wft s PHE 60 Ca 0.61 -0.56 0.06 0.00 -0.60 0.00 0.00 56.93 56.44 1wft s PHE 60 Cb -0.17 -1.84 -0.01 0.00 0.51 0.00 0.00 43.02 41.50 1wft s PHE 60 CO 0.22 0.27 -0.20 0.00 0.70 0.00 0.00 175.22 176.22 1wft s MET 61 N -3.85 1.73 -0.06 0.44 0.23 -0.49 -4.84 119.30 112.46 1wft s MET 61 Ca 0.39 -0.70 -0.30 0.00 -1.03 0.00 0.00 55.69 54.06 1wft s MET 61 Cb 0.03 -1.60 -0.06 0.00 -1.53 0.00 0.00 34.83 31.67 1wft s MET 61 CO 0.22 0.38 1.76 0.50 -2.03 0.00 0.00 175.02 175.85 1wft s ARG 62 N -0.32 4.06 -0.06 3.16 3.52 -1.26 -1.06 118.95 126.99 1wft s ARG 62 Ca 0.04 2.22 0.10 0.00 -0.13 0.00 0.00 55.73 57.96 1wft s ARG 62 Cb -0.09 -4.06 -0.15 0.00 -1.56 0.00 0.00 34.95 29.09 1wft s ARG 62 CO 0.00 -1.00 0.13 0.44 -0.81 0.00 0.00 175.30 174.06 1wft n ILE 63 N 5.75 0.38 -3.72 4.11 -5.35 -0.82 -4.96 119.36 114.75 1wft n ILE 63 Ca 0.19 -0.35 -0.12 0.00 -0.27 0.00 0.00 62.75 62.20 1wft n ILE 63 Cb 0.43 -0.29 -0.11 0.00 -1.74 0.00 0.00 39.64 37.94 1wft n ILE 63 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1wft s TYR 64 N -2.48 -0.50 -0.46 4.28 6.14 -1.18 -5.05 117.35 118.11 1wft s TYR 64 Ca -0.05 1.14 0.02 0.00 0.64 0.00 0.00 57.07 58.83 1wft s TYR 64 Cb 0.05 0.19 0.14 0.00 0.42 0.00 0.00 41.96 42.76 1wft s TYR 64 CO 0.43 -0.27 0.25 0.00 0.64 0.00 0.00 175.55 176.61 1wft s GLY 66 N 0.22 0.01 -0.15 0.00 0.00 -1.07 -4.96 107.32 101.36 1wft s GLY 66 Ca 0.18 -0.35 0.11 0.00 0.00 0.00 0.00 44.72 44.66 1wft s GLY 66 CO -0.01 -0.40 1.43 1.47 0.00 0.00 0.00 173.10 175.59 1wft n LEU 67 N -0.29 4.32 -0.46 0.66 -0.00 -1.26 -2.97 117.00 116.99 1wft n LEU 67 Ca -0.10 -2.19 0.10 0.00 -0.00 0.00 0.00 56.01 53.82 1wft n LEU 67 Cb 0.63 -0.60 0.38 0.00 -0.00 0.00 0.00 43.42 43.83 1wft n LEU 67 CO 0.19 0.56 0.77 1.17 -0.00 0.00 0.00 177.39 180.08 1wft n LYS 68 N 0.55 1.60 -1.73 1.47 4.81 -1.26 -4.89 118.16 118.71 1wft n LYS 68 Ca 0.20 -0.90 0.00 0.00 -0.87 0.00 0.00 58.31 56.74 1wft n LYS 68 Cb 0.89 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 34.58 1wft n LYS 68 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1wft n THR 69 N 0.14 0.00 -3.63 3.15 -2.24 -1.26 -4.79 114.28 105.65 1wft n THR 69 Ca 0.15 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.80 1wft n THR 69 Cb 0.28 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.44 1wft n THR 69 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wft s SER 70 N -1.48 -0.78 0.18 3.42 0.01 -1.26 -1.54 113.70 112.25 1wft s SER 70 Ca 0.00 1.46 -0.18 0.00 1.31 0.00 0.00 55.95 58.54 1wft s SER 70 Cb 0.00 1.46 0.03 0.00 0.21 0.00 0.00 66.02 67.72 1wft s SER 70 CO 0.00 -0.25 0.52 0.00 0.41 0.00 0.00 173.24 173.92 1wft s THR 72 N -3.85 3.62 -0.35 0.00 2.01 -1.26 -0.94 115.64 114.88 1wft s THR 72 Ca 0.07 -0.48 -0.08 0.00 0.31 0.00 0.00 61.69 61.51 1wft s THR 72 Cb -0.01 -2.52 0.04 0.00 0.01 0.00 0.00 72.50 70.02 1wft s THR 72 CO -0.05 0.55 0.13 -0.69 -0.69 0.00 0.00 174.62 173.87 1wft s VAL 73 N -0.24 3.98 0.98 3.82 1.01 -0.54 -4.97 120.40 124.45 1wft s VAL 73 Ca 0.03 -1.06 -0.16 0.00 0.00 0.00 0.00 61.98 60.79 1wft s VAL 73 Cb -0.13 -3.24 0.20 0.00 0.00 0.00 0.00 36.38 33.21 1wft s VAL 73 CO 0.03 -0.19 1.28 0.42 0.00 0.00 0.00 175.10 176.64 1wft s THR 74 N 1.44 1.94 0.05 3.92 -4.23 -1.26 -2.58 115.64 114.93 1wft s THR 74 Ca -0.01 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.23 1wft s THR 74 Cb -0.19 -2.92 -0.17 0.00 1.34 0.00 0.00 72.50 70.55 1wft s THR 74 CO 0.04 0.00 1.53 0.00 -0.54 0.00 0.00 174.62 175.64 1wft h ALA 75 N -1.73 -0.50 -0.77 3.99 0.00 -1.98 -1.57 119.26 116.70 1wft h ALA 75 Ca -0.45 -0.14 0.30 0.00 0.00 0.00 0.00 54.91 54.62 1wft h ALA 75 Cb 1.25 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 19.10 1wft h ALA 75 CO 0.40 -0.72 0.35 0.41 0.00 0.00 0.00 179.25 179.69 1wft n GLY 76 N -0.98 -0.65 0.09 0.00 0.00 -1.26 0.21 105.19 102.60 1wft n GLY 76 Ca -0.11 0.64 -0.18 0.00 0.00 0.00 0.00 46.02 46.37 1wft n GLY 76 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wft h GLN 77 N 0.00 0.08 -0.91 1.61 4.20 -1.90 -3.36 115.11 114.84 1wft h GLN 77 Ca 0.62 -0.14 0.25 0.00 0.06 0.00 0.00 58.65 59.44 1wft h GLN 77 Cb 1.59 0.05 -0.14 0.00 0.30 0.00 0.00 27.48 29.29 1wft h GLN 77 CO -0.61 1.07 0.36 -0.07 -0.67 0.00 0.00 178.83 178.90 1wft h LEU 78 N -0.79 0.22 -1.53 1.46 3.38 0.80 0.54 115.31 119.39 1wft h LEU 78 Ca -0.17 0.18 0.26 0.00 0.09 0.00 0.00 57.88 58.24 1wft h LEU 78 Cb 1.30 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 42.17 1wft h LEU 78 CO -0.03 -0.10 0.67 0.00 0.09 0.00 0.00 178.44 179.07 1wft h ALA 79 N 1.77 2.38 0.00 1.53 0.00 -1.08 0.59 119.26 124.45 1wft h ALA 79 Ca 0.59 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.40 1wft h ALA 79 Cb 1.21 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1wft h ALA 79 CO -0.60 -0.73 -0.62 -0.91 0.00 0.00 0.00 179.25 176.39 1wft h ASN 80 N 0.32 0.00 -2.10 0.00 2.35 -0.09 -3.45 115.58 112.61 1wft h ASN 80 Ca 0.55 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.70 1wft h ASN 80 Cb 1.52 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.91 1wft h ASN 80 CO -0.21 0.62 1.11 0.00 -1.65 0.00 0.00 177.43 177.30 1wft n ALA 81 N -2.30 1.05 -2.65 -0.83 0.00 0.21 -3.73 120.51 112.26 1wft n ALA 81 Ca 0.01 0.28 -0.41 0.00 0.00 0.00 0.00 53.44 53.31 1wft n ALA 81 Cb 0.72 -2.52 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 1wft n ALA 81 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1wft s HIS 82 N 3.94 3.33 0.18 0.00 2.46 -0.92 -4.88 115.29 119.40 1wft s HIS 82 Ca 0.91 1.05 -0.28 0.00 0.47 0.00 0.00 55.06 57.22 1wft s HIS 82 Cb -0.65 -2.96 -0.08 0.00 -0.13 0.00 0.00 32.58 28.77 1wft s HIS 82 CO 0.49 -0.32 0.88 0.42 -2.47 0.00 0.00 174.74 173.74 1wft s ILE 83 N 2.52 4.29 -0.53 0.89 1.01 -1.26 -4.46 121.20 123.66 1wft s ILE 83 Ca 0.33 1.93 -0.24 0.00 0.00 0.00 0.00 60.65 62.67 1wft s ILE 83 Cb -0.16 -4.25 0.04 0.00 0.01 0.00 0.00 42.46 38.10 1wft s ILE 83 CO 0.09 0.46 0.91 -1.81 0.00 0.00 0.00 174.94 174.59 1wft s ASP 84 N -0.87 6.36 -0.68 3.58 1.11 -1.14 -4.91 116.67 120.13 1wft s ASP 84 Ca 0.40 -0.28 -0.02 0.00 0.18 0.00 0.00 52.55 52.83 1wft s ASP 84 Cb -0.24 -2.43 0.42 0.00 1.07 0.00 0.00 42.92 41.74 1wft s ASP 84 CO 0.29 -1.16 2.05 -1.22 1.18 0.00 0.00 175.17 176.31 1wft n TYR 85 N 7.30 3.08 -0.12 4.23 4.01 -1.26 -3.04 117.16 131.36 1wft n TYR 85 Ca 0.02 -2.85 -0.25 0.00 -0.16 0.00 0.00 57.90 54.66 1wft n TYR 85 Cb 0.48 -1.39 -0.08 0.00 -0.31 0.00 0.00 39.34 38.04 1wft n TYR 85 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1wft n THR 86 N -0.76 1.37 0.00 -0.72 -2.24 -1.26 -4.92 114.28 105.75 1wft n THR 86 Ca 0.59 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1wft n THR 86 Cb 0.58 -1.88 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 1wft n THR 86 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wft n SER 87 N -4.14 1.54 -3.67 3.42 7.64 -1.26 -5.06 113.62 112.09 1wft n SER 87 Ca -0.46 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.24 1wft n SER 87 Cb 0.81 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.85 1wft n SER 87 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1wft s ARG 88 N -1.85 -0.01 -1.16 1.43 3.52 -1.26 -5.08 118.95 114.54 1wft s ARG 88 Ca 0.00 0.48 -0.23 0.00 -0.13 0.00 0.00 55.73 55.85 1wft s ARG 88 Cb 0.00 -0.35 -0.09 0.00 -1.56 0.00 0.00 34.95 32.95 1wft s ARG 88 CO 0.00 -0.31 1.94 -1.25 -0.81 0.00 0.00 175.30 174.87 1wft s PRO 89 N 2.17 2.49 0.21 5.12 0.04 -1.17 -4.49 135.00 139.37 1wft s PRO 89 Ca 0.03 -1.10 0.00 0.00 0.04 0.00 0.00 61.00 59.97 1wft s PRO 89 Cb -0.12 -5.23 -0.05 0.00 0.04 0.00 0.00 34.50 29.15 1wft s PRO 89 CO -0.05 -3.95 0.09 0.00 0.04 0.00 0.00 177.00 173.13 1wft s ALA 90 N 10.99 1.37 -0.04 8.56 0.00 -1.26 -4.25 121.76 137.13 1wft s ALA 90 Ca 0.69 -1.72 -0.23 0.00 0.00 0.00 0.00 51.96 50.70 1wft s ALA 90 Cb -0.01 1.07 -0.04 0.00 0.00 0.00 0.00 23.12 24.13 1wft s ALA 90 CO 0.12 -0.49 0.69 0.42 0.00 0.00 0.00 175.76 176.50 1wft s ILE 91 N -3.92 4.98 -0.05 0.00 1.01 -0.57 -2.87 121.20 119.78 1wft s ILE 91 Ca 0.34 1.42 -0.13 0.00 0.00 0.00 0.00 60.65 62.29 1wft s ILE 91 Cb 0.07 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 1wft s ILE 91 CO 0.10 0.30 0.33 -0.69 0.00 0.00 0.00 174.94 174.97 1wft s VAL 92 N 0.52 5.19 0.40 2.92 1.01 -1.26 -1.87 120.40 127.30 1wft s VAL 92 Ca 0.36 0.64 0.04 0.00 0.00 0.00 0.00 61.98 63.02 1wft s VAL 92 Cb -0.18 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1wft s VAL 92 CO 0.18 0.56 0.11 -0.36 0.00 0.00 0.00 175.10 175.59 1wft s PHE 93 N -0.85 1.82 -0.26 5.22 0.08 -1.06 -2.77 117.98 120.17 1wft s PHE 93 Ca 0.21 -1.21 -0.26 0.00 0.12 0.00 0.00 56.93 55.79 1wft s PHE 93 Cb -0.15 -1.20 0.09 0.00 -0.57 0.00 0.00 43.02 41.18 1wft s PHE 93 CO 0.10 -0.21 0.82 1.03 -0.10 0.00 0.00 175.22 176.86 1wft s ARG 94 N -3.76 0.74 -0.01 0.44 0.52 -1.08 -3.55 118.95 112.25 1wft s ARG 94 Ca 0.25 0.80 -0.03 0.00 -0.52 0.00 0.00 55.73 56.23 1wft s ARG 94 Cb 0.04 0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.87 1wft s ARG 94 CO 0.14 -0.11 0.06 0.42 0.02 0.00 0.00 175.30 175.84 1wft s ILE 95 N 0.18 0.03 0.28 1.52 1.01 -1.09 -2.33 121.20 120.79 1wft s ILE 95 Ca 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 1wft s ILE 95 Cb -0.05 -0.18 -0.00 0.00 0.01 0.00 0.00 42.46 42.24 1wft s ILE 95 CO -0.01 -0.14 0.46 -0.55 0.00 0.00 0.00 174.94 174.71 1wft s SER 96 N -0.42 0.20 0.32 3.58 0.15 -1.25 -1.73 113.70 114.55 1wft s SER 96 Ca -0.05 -1.13 0.07 0.00 0.70 0.00 0.00 55.95 55.54 1wft s SER 96 Cb -0.03 0.60 -0.02 0.00 -1.71 0.00 0.00 66.02 64.86 1wft s SER 96 CO 0.00 -1.18 0.35 0.00 1.20 0.00 0.00 173.24 173.61 1wft s ALA 97 N -3.69 3.95 -0.17 5.45 0.00 -1.26 -3.87 121.76 122.17 1wft s ALA 97 Ca 0.26 -1.53 -0.02 0.00 0.00 0.00 0.00 51.96 50.67 1wft s ALA 97 Cb -0.00 -1.40 0.05 0.00 0.00 0.00 0.00 23.12 21.77 1wft s ALA 97 CO 0.12 0.04 -0.00 0.21 0.00 0.00 0.00 175.76 176.13 1wft s LYS 98 N -4.04 0.96 0.37 0.00 2.20 -1.20 -3.89 119.74 114.14 1wft s LYS 98 Ca 0.41 -0.44 0.04 0.00 -0.36 0.00 0.00 55.97 55.62 1wft s LYS 98 Cb -0.07 -1.98 -0.03 0.00 -1.51 0.00 0.00 37.83 34.23 1wft s LYS 98 CO 0.28 -0.53 0.14 1.21 -0.36 0.00 0.00 175.35 176.08 1wft s ASN 99 N 1.76 2.40 0.22 1.43 2.47 -1.20 -3.67 114.94 118.35 1wft s ASN 99 Ca -0.00 -1.62 0.01 0.00 0.42 0.00 0.00 52.86 51.67 1wft s ASN 99 Cb -0.16 0.42 0.53 0.00 -1.45 0.00 0.00 41.25 40.59 1wft s ASN 99 CO -0.07 -0.89 1.08 -0.62 -3.72 0.00 0.00 177.10 172.88 1wft n GLU 100 N -0.80 -0.05 0.13 0.43 1.02 -1.26 0.97 120.64 121.07 1wft n GLU 100 Ca -0.03 1.04 -0.14 0.00 -0.02 0.00 0.00 57.16 58.00 1wft n GLU 100 Cb 0.65 -1.65 -0.07 0.00 -0.02 0.00 0.00 31.44 30.35 1wft n GLU 100 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1wft h LYS 101 N 0.00 -0.60 0.00 3.49 3.11 -1.95 -3.48 116.57 117.13 1wft h LYS 101 Ca 0.42 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.30 1wft h LYS 101 Cb 0.87 0.14 0.00 0.00 -1.00 0.00 0.00 32.23 32.24 1wft h LYS 101 CO -0.65 -0.40 0.00 0.41 -2.81 0.00 0.00 179.45 176.00 1wft n GLY 102 N -1.45 0.03 3.21 5.01 0.00 0.27 -5.08 105.19 107.18 1wft n GLY 102 Ca -0.07 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 1wft n GLY 102 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wft s TYR 103 N 0.00 -0.65 0.00 1.61 2.02 -1.26 -3.28 117.35 115.79 1wft s TYR 103 Ca 0.00 1.32 0.00 0.00 -0.37 0.00 0.00 57.07 58.02 1wft s TYR 103 Cb 0.00 0.22 0.00 0.00 -0.40 0.00 0.00 41.96 41.78 1wft s TYR 103 CO 0.00 -0.41 0.00 0.41 -1.57 0.00 0.00 175.55 173.98 1wft n GLY 104 N 5.06 1.58 3.77 0.71 0.00 -1.25 -4.65 105.19 110.40 1wft n GLY 104 Ca -0.12 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 1wft n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wft s PRO 105 N 2.75 2.52 -0.06 1.61 0.04 -1.26 -4.89 135.00 135.71 1wft s PRO 105 Ca 0.00 1.27 0.04 0.00 0.04 0.00 0.00 61.00 62.35 1wft s PRO 105 Cb 0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1wft s PRO 105 CO 0.00 -1.46 -0.16 0.00 0.04 0.00 0.00 177.00 175.42 1wft s ALA 106 N -2.64 1.52 0.12 8.56 0.00 -1.26 -4.53 121.76 123.53 1wft s ALA 106 Ca 0.64 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 51.69 1wft s ALA 106 Cb -0.19 -0.57 -0.07 0.00 0.00 0.00 0.00 23.12 22.30 1wft s ALA 106 CO 0.49 0.22 0.86 0.99 0.00 0.00 0.00 175.76 178.33 1wft s THR 107 N 0.30 4.48 0.16 0.00 2.01 -0.71 -4.80 115.64 117.09 1wft s THR 107 Ca -0.10 1.87 0.03 0.00 0.31 0.00 0.00 61.69 63.81 1wft s THR 107 Cb -0.14 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 1wft s THR 107 CO 0.04 0.40 0.26 -1.58 -0.69 0.00 0.00 174.62 173.04 1wft s GLN 108 N -0.42 3.31 -0.24 4.92 0.74 -1.26 -2.68 119.66 124.02 1wft s GLN 108 Ca 0.41 -0.68 -0.17 0.00 0.05 0.00 0.00 55.36 54.97 1wft s GLN 108 Cb -0.23 -2.88 0.07 0.00 1.10 0.00 0.00 33.01 31.07 1wft s GLN 108 CO 0.27 0.50 0.60 -1.50 -0.55 0.00 0.00 175.29 174.62 1wft s ILE 109 N -1.77 -0.01 -0.20 -2.34 2.07 -1.23 -5.00 121.20 112.72 1wft s ILE 109 Ca 0.34 0.02 -0.10 0.00 -1.41 0.00 0.00 60.65 59.50 1wft s ILE 109 Cb -0.11 -0.86 -0.05 0.00 0.13 0.00 0.00 42.46 41.57 1wft s ILE 109 CO 0.27 0.01 0.13 -0.13 -1.91 0.00 0.00 174.94 173.31 1wft s ARG 110 N 1.08 4.18 -0.26 3.50 0.52 -1.26 -2.55 118.95 124.16 1wft s ARG 110 Ca -0.06 -0.23 0.02 0.00 -0.52 0.00 0.00 55.73 54.95 1wft s ARG 110 Cb -0.05 -3.43 0.06 0.00 0.52 0.00 0.00 34.95 32.05 1wft s ARG 110 CO -0.10 0.28 -0.09 -0.46 0.02 0.00 0.00 175.30 174.94 1wft s TRP 111 N 0.42 3.06 0.15 -0.53 -0.00 -0.78 -4.95 118.94 116.31 1wft s TRP 111 Ca 0.08 -2.20 -0.31 0.00 -0.00 0.00 0.00 56.10 53.66 1wft s TRP 111 Cb -0.11 -1.86 -0.09 0.00 -0.00 0.00 0.00 33.47 31.40 1wft s TRP 111 CO -0.01 -0.86 1.51 -0.51 -0.00 0.00 0.00 176.95 177.08 1wft s LEU 112 N 1.17 4.37 0.09 5.86 1.43 -1.26 -1.52 118.68 128.82 1wft s LEU 112 Ca -0.08 2.53 -0.31 0.00 -1.03 0.00 0.00 54.13 55.25 1wft s LEU 112 Cb -0.20 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.34 1wft s LEU 112 CO -0.05 -0.77 1.79 -1.10 0.23 0.00 0.00 176.35 176.45 1wft s GLN 113 N 1.10 4.16 0.00 1.70 -0.21 -1.26 -4.77 119.66 120.37 1wft s GLN 113 Ca 0.68 2.50 0.00 0.00 0.02 0.00 0.00 55.36 58.57 1wft s GLN 113 Cb -0.42 -3.69 0.00 0.00 1.00 0.00 0.00 33.01 29.90 1wft s GLN 113 CO 0.31 -0.83 0.00 0.41 -2.12 0.00 0.00 175.29 173.06 1wft n GLY 114 N 4.20 3.66 3.61 3.09 0.00 -1.26 -5.12 105.19 113.36 1wft n GLY 114 Ca 0.17 -1.41 -0.08 0.00 0.00 0.00 0.00 46.02 44.71 1wft n GLY 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wft s ASN 115 N 0.00 -0.27 1.13 1.61 2.47 -1.26 -5.07 114.94 113.56 1wft s ASN 115 Ca 0.00 0.33 -0.18 0.00 0.42 0.00 0.00 52.86 53.44 1wft s ASN 115 Cb 0.00 0.28 0.16 0.00 -1.45 0.00 0.00 41.25 40.24 1wft s ASN 115 CO 0.00 -0.21 0.21 -1.54 -3.72 0.00 0.00 177.10 171.83 1wft n SER 116 N 0.90 -2.64 -4.14 -4.21 3.41 -1.26 -4.99 113.62 100.68 1wft n SER 116 Ca -0.08 -0.26 -0.30 0.00 -0.26 0.00 0.00 58.87 57.97 1wft n SER 116 Cb 0.58 -0.93 0.19 0.00 -0.26 0.00 0.00 64.21 63.79 1wft n SER 116 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1wft s LYS 117 N -3.64 0.50 0.09 4.33 1.02 -1.26 -4.84 119.74 115.94 1wft s LYS 117 Ca 0.53 -0.34 0.09 0.00 0.02 0.00 0.00 55.97 56.28 1wft s LYS 117 Cb -0.11 -1.82 -0.03 0.00 -0.52 0.00 0.00 37.83 35.34 1wft s LYS 117 CO 0.58 -2.52 -0.24 0.45 -0.92 0.00 0.00 175.35 172.69 1wft s SER 118 N -4.76 2.98 0.00 2.83 0.15 -1.26 -5.06 113.70 108.58 1wft s SER 118 Ca 0.73 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1wft s SER 118 Cb -0.05 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1wft s SER 118 CO 0.53 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.75 1wft n GLY 119 N 1.26 0.72 3.72 9.45 0.00 -1.26 -5.04 105.19 114.04 1wft n GLY 119 Ca -0.18 0.59 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 1wft n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wft s PRO 120 N 0.00 4.35 -0.44 1.61 0.04 -1.26 -4.95 135.00 134.36 1wft s PRO 120 Ca 0.00 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.12 1wft s PRO 120 Cb 0.00 -3.25 0.44 0.00 0.04 0.00 0.00 34.50 31.74 1wft s PRO 120 CO 0.00 -0.37 1.41 0.43 0.04 0.00 0.00 177.00 178.50 1wft n SER 121 N 3.64 5.64 -3.82 6.66 7.64 -1.26 -4.98 113.62 127.14 1wft n SER 121 Ca 0.10 -3.76 -0.17 0.00 1.01 0.00 0.00 58.87 56.05 1wft n SER 121 Cb 0.43 -0.55 -0.16 0.00 -1.01 0.00 0.00 64.21 62.92 1wft n SER 121 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wft s SER 122 N -3.05 0.52 0.00 6.43 0.15 -1.26 -5.39 113.70 111.10 1wft s SER 122 Ca 0.53 -0.04 0.03 0.00 0.70 0.00 0.00 55.95 57.17 1wft s SER 122 Cb 0.43 -0.25 0.02 0.00 -1.71 0.00 0.00 66.02 64.51 1wft s SER 122 CO -0.05 -0.10 0.59 0.61 1.20 0.00 0.00 173.24 175.49