#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wft s SER 2 N 0.00 4.42 0.09 1.61 1.04 -1.26 -5.10 113.70 114.50 1wft s SER 2 Ca 0.00 -1.42 -0.30 0.00 0.48 0.00 0.00 55.95 54.71 1wft s SER 2 Cb 0.00 0.45 -0.06 0.00 0.10 0.00 0.00 66.02 66.51 1wft s SER 2 CO 0.00 -0.99 1.12 -0.55 0.98 0.00 0.00 173.24 173.80 1wft s SER 3 N -4.11 7.20 0.00 7.02 0.15 -1.26 -4.90 113.70 117.81 1wft s SER 3 Ca 0.22 1.97 0.00 0.00 0.70 0.00 0.00 55.95 58.84 1wft s SER 3 Cb -0.01 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1wft s SER 3 CO 0.13 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1wft n GLY 4 N 2.75 -0.20 3.96 9.45 0.00 -1.26 -5.14 105.19 114.75 1wft n GLY 4 Ca 0.06 -1.25 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 1wft n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wft s SER 5 N -4.00 6.29 0.00 1.61 1.04 -1.26 -5.03 113.70 112.35 1wft s SER 5 Ca 0.00 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1wft s SER 5 Cb 0.00 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.20 1wft s SER 5 CO 0.00 -0.19 0.00 -1.20 0.98 0.00 0.00 173.24 172.83 1wft n SER 6 N -1.60 2.09 0.00 7.02 7.64 -1.26 -5.12 113.62 122.38 1wft n SER 6 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1wft n SER 6 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1wft n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wft n GLY 7 N 2.93 0.66 0.00 0.23 0.00 -1.26 -4.62 105.19 103.13 1wft n GLY 7 Ca 0.00 -1.67 0.07 0.00 0.00 0.00 0.00 46.02 44.42 1wft n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wft n PRO 8 N 0.00 0.30 0.00 1.61 -0.04 -1.26 -4.65 135.00 130.96 1wft n PRO 8 Ca 0.00 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1wft n PRO 8 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1wft n PRO 8 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wft n GLY 9 N -0.03 -0.65 3.56 0.55 0.00 -1.26 -4.81 105.19 102.55 1wft n GLY 9 Ca 0.09 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 1wft n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wft s ALA 10 N -3.00 2.92 0.54 4.61 0.00 -1.26 -4.10 121.76 121.47 1wft s ALA 10 Ca 0.00 -1.32 -0.20 0.00 0.00 0.00 0.00 51.96 50.45 1wft s ALA 10 Cb 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 23.12 22.24 1wft s ALA 10 CO 0.00 0.59 1.13 -1.25 0.00 0.00 0.00 175.76 176.23 1wft s PRO 11 N -2.37 3.37 0.22 0.00 0.04 -1.26 -4.57 135.00 130.44 1wft s PRO 11 Ca 0.22 1.62 0.01 0.00 0.04 0.00 0.00 61.00 62.88 1wft s PRO 11 Cb -0.10 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1wft s PRO 11 CO 0.14 -0.84 0.08 -1.12 0.04 0.00 0.00 177.00 175.31 1wft s SER 12 N -1.75 0.86 -1.31 6.66 0.01 -1.23 -4.89 113.70 112.05 1wft s SER 12 Ca 0.72 -1.33 -0.01 0.00 1.31 0.00 0.00 55.95 56.65 1wft s SER 12 Cb -0.24 0.22 -0.00 0.00 0.21 0.00 0.00 66.02 66.21 1wft s SER 12 CO 0.27 -0.73 0.66 0.41 0.41 0.00 0.00 173.24 174.27 1wft n THR 13 N -0.34 -4.38 -2.72 1.44 -1.04 -1.26 -2.57 114.28 103.40 1wft n THR 13 Ca -0.01 -0.52 -0.41 0.00 -2.04 0.00 0.00 64.05 61.06 1wft n THR 13 Cb 0.65 -3.68 -0.04 0.00 -1.82 0.00 0.00 70.33 65.44 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 -3.70 4.61 0.04 12.58 1.01 -1.26 -3.73 120.40 129.95 1wft s VAL 14 Ca 0.02 2.07 0.08 0.00 0.00 0.00 0.00 61.98 64.14 1wft s VAL 14 Cb -0.00 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1wft s VAL 14 CO 0.82 0.27 -0.22 -0.13 0.00 0.00 0.00 175.10 175.84 1wft s ARG 15 N 0.30 1.51 -0.11 2.72 0.52 0.40 -4.97 118.95 119.31 1wft s ARG 15 Ca 0.48 -0.99 -0.00 0.00 -0.52 0.00 0.00 55.73 54.70 1wft s ARG 15 Cb -0.23 -1.64 0.02 0.00 0.52 0.00 0.00 34.95 33.63 1wft s ARG 15 CO 0.29 0.42 -0.09 0.42 0.02 0.00 0.00 175.30 176.37 1wft s ILE 16 N -0.80 1.08 -0.06 1.52 1.01 -1.26 -0.91 121.20 121.77 1wft s ILE 16 Ca 0.09 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.44 1wft s ILE 16 Cb -0.09 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.30 1wft s ILE 16 CO 0.02 0.37 -0.19 -0.44 0.00 0.00 0.00 174.94 174.71 1wft s SER 17 N 1.58 2.42 0.18 3.58 0.01 -0.82 -5.02 113.70 115.63 1wft s SER 17 Ca 0.03 -0.41 -0.31 0.00 1.31 0.00 0.00 55.95 56.57 1wft s SER 17 Cb -0.13 -0.89 -0.09 0.00 0.21 0.00 0.00 66.02 65.12 1wft s SER 17 CO -0.07 0.14 1.40 -0.75 0.41 0.00 0.00 173.24 174.36 1wft s LYS 18 N 0.24 4.32 0.40 12.44 2.20 -1.26 -0.32 119.74 137.75 1wft s LYS 18 Ca -0.10 2.16 0.08 0.00 -0.36 0.00 0.00 55.97 57.74 1wft s LYS 18 Cb -0.14 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 32.96 1wft s LYS 18 CO 0.04 -0.39 0.29 1.21 -0.36 0.00 0.00 175.35 176.15 1wft s ASN 19 N 0.67 4.89 0.11 1.43 2.47 0.30 -4.79 114.94 120.03 1wft s ASN 19 Ca 0.61 -0.79 -0.09 0.00 0.42 0.00 0.00 52.86 53.01 1wft s ASN 19 Cb -0.39 -0.62 -0.13 0.00 -1.45 0.00 0.00 41.25 38.66 1wft s ASN 19 CO 0.36 -0.55 1.29 0.58 -3.72 0.00 0.00 177.10 175.07 1wft h VAL 20 N 1.21 1.32 -0.60 -5.21 2.07 -1.99 -3.18 116.25 109.88 1wft h VAL 20 Ca -0.42 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 64.92 1wft h VAL 20 Cb 1.26 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 1wft h VAL 20 CO 0.61 0.67 0.00 0.47 0.02 0.00 0.00 177.57 179.34 1wft n ASP 21 N -3.86 5.36 0.00 0.57 8.00 -1.26 -5.03 116.55 120.34 1wft n ASP 21 Ca -0.08 -2.76 0.00 0.00 0.71 0.00 0.00 54.79 52.66 1wft n ASP 21 Cb 0.80 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1wft n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wft n GLY 22 N 0.78 0.32 3.49 0.44 0.00 -1.20 -4.75 105.19 104.27 1wft n GLY 22 Ca 0.27 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 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 -4.00 3.22 -0.57 -0.61 1.01 -0.79 0.11 121.20 119.58 1wft s ILE 23 Ca 0.00 -0.66 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 1wft s ILE 23 Cb 0.00 -2.28 0.14 0.00 0.01 0.00 0.00 42.46 40.33 1wft s ILE 23 CO 0.00 0.59 0.48 -2.28 0.00 0.00 0.00 174.94 173.73 1wft s HIS 24 N -0.65 3.41 -0.30 3.97 2.46 0.56 -0.90 115.29 123.84 1wft s HIS 24 Ca 0.10 -1.72 -0.22 0.00 0.47 0.00 0.00 55.06 53.68 1wft s HIS 24 Cb -0.11 -3.65 -0.00 0.00 -0.13 0.00 0.00 32.58 28.69 1wft s HIS 24 CO 0.01 -0.99 0.74 -1.17 -2.47 0.00 0.00 174.74 170.85 1wft s LEU 25 N 1.17 4.11 0.18 8.88 2.96 0.04 -1.95 118.68 134.06 1wft s LEU 25 Ca 0.07 0.59 0.09 0.00 -0.22 0.00 0.00 54.13 54.66 1wft s LEU 25 Cb -0.25 -2.99 -0.04 0.00 0.50 0.00 0.00 46.19 43.41 1wft s LEU 25 CO -0.01 -0.57 -0.19 -0.94 -1.32 0.00 0.00 176.35 173.32 1wft s SER 26 N 1.62 2.84 0.18 3.68 1.04 -0.09 -0.81 113.70 122.17 1wft s SER 26 Ca 0.30 -0.88 -0.23 0.00 0.48 0.00 0.00 55.95 55.62 1wft s SER 26 Cb -0.14 -0.18 0.06 0.00 0.10 0.00 0.00 66.02 65.85 1wft s SER 26 CO 0.12 -0.01 0.68 -1.66 0.98 0.00 0.00 173.24 173.35 1wft s TRP 27 N -2.05 -0.40 0.09 5.02 -2.14 -0.63 -0.45 118.94 118.37 1wft s TRP 27 Ca 0.17 0.12 0.00 0.00 2.66 0.00 0.00 56.10 59.06 1wft s TRP 27 Cb -0.06 0.61 -0.04 0.00 -3.10 0.00 0.00 33.47 30.88 1wft s TRP 27 CO 0.08 -0.94 0.23 -1.21 -2.66 0.00 0.00 176.95 172.45 1wft s GLU 28 N -3.73 3.44 0.60 3.25 2.02 -1.06 -4.76 118.70 118.47 1wft s GLU 28 Ca 0.05 -0.47 -0.17 0.00 0.02 0.00 0.00 54.97 54.40 1wft s GLU 28 Cb -0.02 -3.02 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 1wft s GLU 28 CO -0.06 0.58 1.12 -1.25 0.02 0.00 0.00 175.26 175.67 1wft s PRO 29 N -2.70 3.09 -0.21 0.39 0.04 -1.26 -3.51 135.00 130.84 1wft s PRO 29 Ca 0.35 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 1wft s PRO 29 Cb -0.12 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1wft s PRO 29 CO 0.28 -1.04 1.60 -1.25 0.04 0.00 0.00 177.00 176.64 1wft s PRO 30 N -3.68 3.83 -0.26 0.56 0.04 -1.26 -4.70 135.00 129.53 1wft s PRO 30 Ca 0.70 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 63.41 1wft s PRO 30 Cb -0.22 -4.02 0.16 0.00 0.04 0.00 0.00 34.50 30.45 1wft s PRO 30 CO 0.34 -1.24 2.08 -2.37 0.04 0.00 0.00 177.00 175.85 1wft n THR 31 N 6.31 2.66 -4.08 1.26 5.66 -1.26 -4.90 114.28 119.93 1wft n THR 31 Ca 0.18 -1.50 -0.28 0.00 -3.05 0.00 0.00 64.05 59.41 1wft n THR 31 Cb 0.45 -1.39 -0.06 0.00 -1.55 0.00 0.00 70.33 67.78 1wft n THR 31 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1wft s SER 32 N 0.57 5.44 0.00 1.09 1.04 -1.26 -4.99 113.70 115.58 1wft s SER 32 Ca 0.27 -0.11 0.11 0.00 0.48 0.00 0.00 55.95 56.70 1wft s SER 32 Cb 0.21 -1.41 0.65 0.00 0.10 0.00 0.00 66.02 65.57 1wft s SER 32 CO -0.01 0.11 1.09 -0.81 0.98 0.00 0.00 173.24 174.60 1wft n PRO 33 N 0.02 0.49 -0.24 4.02 -0.04 -1.26 -4.05 135.00 133.94 1wft n PRO 33 Ca -0.09 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.53 1wft n PRO 33 Cb 0.53 -1.35 0.29 0.00 -0.04 0.00 0.00 33.50 32.93 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 -0.85 0.04 0.00 3.54 7.64 -1.26 -4.87 113.62 117.86 1wft n SER 34 Ca 0.08 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.17 1wft n SER 34 Cb 0.04 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 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 -1.30 0.53 3.92 0.23 0.00 -1.26 -4.91 105.19 102.40 1wft n GLY 35 Ca 0.21 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 1wft n GLY 35 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wft s ASN 36 N -4.00 5.48 -0.18 1.61 0.01 -1.26 -5.06 114.94 111.54 1wft s ASN 36 Ca 0.00 -0.45 0.00 0.00 -0.71 0.00 0.00 52.86 51.71 1wft s ASN 36 Cb 0.00 -0.92 0.04 0.00 0.41 0.00 0.00 41.25 40.78 1wft s ASN 36 CO 0.00 -0.49 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.38 1wft s ILE 37 N -2.31 1.46 0.01 0.60 -1.09 -1.26 -4.97 121.20 113.65 1wft s ILE 37 Ca 0.45 -0.86 -0.14 0.00 -2.23 0.00 0.00 60.65 57.88 1wft s ILE 37 Cb -0.07 -1.56 -0.08 0.00 -1.58 0.00 0.00 42.46 39.17 1wft s ILE 37 CO 0.29 0.17 0.97 -0.07 -1.23 0.00 0.00 174.94 175.07 1wft h LEU 38 N 8.03 -0.42 -8.37 2.97 3.38 -1.95 -3.48 115.31 115.45 1wft h LEU 38 Ca -0.27 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.54 1wft h LEU 38 Cb 1.10 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 1wft h LEU 38 CO 0.45 -0.24 -0.13 -1.61 0.09 0.00 0.00 178.44 177.00 1wft s GLU 39 N -3.67 1.80 0.31 1.13 2.02 -1.26 -5.01 118.70 114.01 1wft s GLU 39 Ca -0.07 -1.55 0.07 0.00 0.02 0.00 0.00 54.97 53.44 1wft s GLU 39 Cb 0.01 0.47 -0.06 0.00 0.10 0.00 0.00 34.13 34.64 1wft s GLU 39 CO 0.22 -0.75 -0.04 0.71 0.02 0.00 0.00 175.26 175.41 1wft s TYR 40 N -3.34 2.07 0.03 1.61 1.51 -0.28 -3.06 117.35 115.89 1wft s TYR 40 Ca 0.26 -0.70 -0.27 0.00 -1.01 0.00 0.00 57.07 55.35 1wft s TYR 40 Cb -0.01 -1.23 0.09 0.00 -0.11 0.00 0.00 41.96 40.70 1wft s TYR 40 CO 0.15 0.30 0.77 -1.12 -1.11 0.00 0.00 175.55 174.54 1wft s SER 41 N -3.50 -0.47 0.01 2.29 0.01 -1.25 -3.10 113.70 107.69 1wft s SER 41 Ca 0.31 0.13 0.03 0.00 1.31 0.00 0.00 55.95 57.73 1wft s SER 41 Cb 0.05 0.47 -0.01 0.00 0.21 0.00 0.00 66.02 66.74 1wft s SER 41 CO 0.14 -0.72 -0.10 0.00 0.41 0.00 0.00 173.24 172.97 1wft s ALA 42 N -2.91 0.80 -0.04 1.44 0.00 -1.15 -3.73 121.76 116.17 1wft s ALA 42 Ca 0.01 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 51.49 1wft s ALA 42 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1wft s ALA 42 CO -0.07 0.15 -0.25 0.71 0.00 0.00 0.00 175.76 176.30 1wft s TYR 43 N -0.56 2.39 -0.18 0.00 1.51 -0.40 -0.55 117.35 119.56 1wft s TYR 43 Ca 0.01 -0.59 -0.08 0.00 -1.01 0.00 0.00 57.07 55.39 1wft s TYR 43 Cb -0.06 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 1wft s TYR 43 CO 0.00 -0.14 0.09 -1.17 -1.11 0.00 0.00 175.55 173.23 1wft s LEU 44 N -0.37 4.02 -0.60 -1.29 2.96 0.79 -2.11 118.68 122.08 1wft s LEU 44 Ca 0.03 0.17 -0.26 0.00 -0.22 0.00 0.00 54.13 53.84 1wft s LEU 44 Cb -0.12 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1wft s LEU 44 CO 0.02 0.19 2.00 0.00 -1.32 0.00 0.00 176.35 177.24 1wft s ALA 45 N 0.26 2.00 0.48 5.97 0.00 -1.21 -2.53 121.76 126.73 1wft s ALA 45 Ca 0.06 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.56 1wft s ALA 45 Cb -0.12 -4.33 0.01 0.00 0.00 0.00 0.00 23.12 18.68 1wft s ALA 45 CO -0.01 -4.11 0.42 0.96 0.00 0.00 0.00 175.76 173.02 1wft s ILE 46 N 9.96 2.16 -0.26 0.00 -4.36 -0.75 -0.94 121.20 127.01 1wft s ILE 46 Ca 0.75 -1.40 -0.27 0.00 -0.26 0.00 0.00 60.65 59.47 1wft s ILE 46 Cb -0.13 -2.56 0.16 0.00 1.25 0.00 0.00 42.46 41.18 1wft s ILE 46 CO 0.21 0.00 1.23 0.00 0.24 0.00 0.00 174.94 176.62 1wft s ARG 47 N -4.23 0.28 -0.13 0.37 1.04 -1.24 -3.81 118.95 111.22 1wft s ARG 47 Ca 0.43 0.18 0.02 0.00 -1.04 0.00 0.00 55.73 55.32 1wft s ARG 47 Cb -0.02 0.13 -0.00 0.00 -2.04 0.00 0.00 34.95 33.02 1wft s ARG 47 CO 0.26 -0.06 -0.18 -0.08 -0.04 0.00 0.00 175.30 175.19 1wft s THR 48 N -0.46 2.45 -0.31 4.99 -1.32 -1.26 -4.94 115.64 114.78 1wft s THR 48 Ca 0.05 -0.86 -0.24 0.00 -1.21 0.00 0.00 61.69 59.43 1wft s THR 48 Cb -0.03 -2.00 0.00 0.00 -1.51 0.00 0.00 72.50 68.96 1wft s THR 48 CO -0.08 0.54 0.80 0.00 -2.21 0.00 0.00 174.62 173.67 1wft s ALA 49 N 0.61 3.51 -0.36 11.08 0.00 -1.26 -4.93 121.76 130.41 1wft s ALA 49 Ca -0.10 -0.44 0.14 0.00 0.00 0.00 0.00 51.96 51.56 1wft s ALA 49 Cb -0.16 -3.33 0.44 0.00 0.00 0.00 0.00 23.12 20.07 1wft s ALA 49 CO 0.03 -1.25 0.99 0.00 0.00 0.00 0.00 175.76 175.52 1wft n GLN 50 N 6.27 1.85 -1.84 0.00 10.64 -1.26 -4.91 117.38 128.13 1wft n GLN 50 Ca 0.04 -3.66 -0.08 0.00 -1.83 0.00 0.00 57.00 51.47 1wft n GLN 50 Cb 0.48 -1.58 -0.01 0.00 -0.86 0.00 0.00 30.24 28.27 1wft n GLN 50 CO 0.00 0.00 0.00 -0.12 -1.83 0.00 0.00 177.06 175.11 1wft n MET 51 N -0.17 -0.62 -2.05 2.61 0.00 -1.26 -4.94 117.12 110.68 1wft n MET 51 Ca 0.19 0.53 -0.41 0.00 -0.00 0.00 0.00 57.70 58.01 1wft n MET 51 Cb 0.76 -4.45 -0.03 0.00 0.00 0.00 0.00 33.22 29.50 1wft n MET 51 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 175.97 177.11 1wft s GLN 52 N -3.81 3.04 0.52 2.12 -2.07 -1.26 -4.83 119.66 113.36 1wft s GLN 52 Ca 0.00 1.01 0.31 0.00 -1.82 0.00 0.00 55.36 54.86 1wft s GLN 52 Cb 0.00 -4.27 1.09 0.00 -1.09 0.00 0.00 33.01 28.75 1wft s GLN 52 CO 0.00 -2.22 1.88 -0.44 -1.32 0.00 0.00 175.29 173.19 1wft h ASP 53 N 13.61 0.00 -4.19 12.60 5.19 -2.04 -3.44 116.42 138.15 1wft h ASP 53 Ca -0.29 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 55.78 1wft h ASP 53 Cb 1.16 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 40.41 1wft h ASP 53 CO 1.12 0.01 -0.76 0.20 -3.12 0.00 0.00 179.24 176.70 1wft s ASN 54 N -5.84 0.86 1.05 6.45 0.02 -1.26 -5.16 114.94 111.06 1wft s ASN 54 Ca 0.03 -0.26 -0.14 0.00 -1.02 0.00 0.00 52.86 51.47 1wft s ASN 54 Cb 0.08 -0.05 0.22 0.00 0.02 0.00 0.00 41.25 41.51 1wft s ASN 54 CO 0.58 0.00 1.10 -2.16 0.02 0.00 0.00 177.10 176.64 1wft s PRO 55 N -0.61 -0.02 0.03 -0.60 0.04 -1.26 -5.09 135.00 127.49 1wft s PRO 55 Ca -0.01 0.36 -0.22 0.00 0.04 0.00 0.00 61.00 61.17 1wft s PRO 55 Cb -0.05 -1.70 0.05 0.00 0.04 0.00 0.00 34.50 32.84 1wft s PRO 55 CO 0.00 -3.00 0.51 -1.54 0.04 0.00 0.00 177.00 173.01 1wft s SER 56 N -3.55 -0.43 -0.70 6.66 1.04 -1.26 -5.08 113.70 110.39 1wft s SER 56 Ca 0.67 0.20 -0.24 0.00 0.48 0.00 0.00 55.95 57.06 1wft s SER 56 Cb -0.17 0.48 -0.16 0.00 0.10 0.00 0.00 66.02 66.27 1wft s SER 56 CO 0.57 -0.69 1.96 0.00 0.98 0.00 0.00 173.24 176.06 1wft n GLN 57 N 0.51 0.00 -1.36 4.02 6.02 -1.26 -4.67 117.38 120.64 1wft n GLN 57 Ca -0.19 0.00 -0.50 0.00 -0.01 0.00 0.00 57.00 56.30 1wft n GLN 57 Cb 0.60 -1.12 -0.05 0.00 1.02 0.00 0.00 30.24 30.69 1wft n GLN 57 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wft n LEU 58 N 7.55 -0.60 -4.90 1.08 4.77 -1.26 -4.93 117.00 118.71 1wft n LEU 58 Ca 0.48 1.08 -0.33 0.00 -0.03 0.00 0.00 56.01 57.21 1wft n LEU 58 Cb 0.02 -0.88 -0.05 0.00 -2.33 0.00 0.00 43.42 40.18 1wft n LEU 58 CO 0.69 -2.31 -0.06 0.54 -1.33 0.00 0.00 177.39 174.92 1wft s VAL 59 N -0.48 5.29 0.24 4.08 0.11 -1.25 -5.03 120.40 123.36 1wft s VAL 59 Ca 0.73 -0.04 0.10 0.00 -2.93 0.00 0.00 61.98 59.84 1wft s VAL 59 Cb -1.03 -3.60 -0.05 0.00 -1.53 0.00 0.00 36.38 30.17 1wft s VAL 59 CO 0.53 0.21 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.97 1wft s PHE 60 N -1.46 2.04 -0.10 1.54 0.40 -1.26 -1.81 117.98 117.33 1wft s PHE 60 Ca 0.34 -0.43 -0.14 0.00 -0.60 0.00 0.00 56.93 56.09 1wft s PHE 60 Cb -0.13 -0.92 0.03 0.00 0.51 0.00 0.00 43.02 42.52 1wft s PHE 60 CO 0.22 0.55 0.36 0.00 0.70 0.00 0.00 175.22 177.05 1wft s MET 61 N -3.48 0.52 0.22 0.44 0.23 -1.05 -4.92 119.30 111.26 1wft s MET 61 Ca 0.26 0.28 -0.32 0.00 -1.03 0.00 0.00 55.69 54.88 1wft s MET 61 Cb -0.04 0.25 -0.12 0.00 -1.53 0.00 0.00 34.83 33.39 1wft s MET 61 CO 0.11 -0.10 1.66 -2.13 -2.03 0.00 0.00 175.02 172.53 1wft n ARG 62 N 2.31 2.62 0.00 3.16 0.63 -1.26 -0.15 116.66 123.97 1wft n ARG 62 Ca -0.16 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 1wft n ARG 62 Cb 0.57 -2.75 0.00 0.00 0.45 0.00 0.00 32.46 30.73 1wft n ARG 62 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1wft n ILE 63 N 3.38 0.00 -3.67 5.15 -5.35 0.29 -4.82 119.36 114.34 1wft n ILE 63 Ca 0.14 -0.41 -0.10 0.00 -0.27 0.00 0.00 62.75 62.11 1wft n ILE 63 Cb 0.34 1.15 -0.08 0.00 -1.74 0.00 0.00 39.64 39.30 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 -0.18 -0.79 -0.27 4.28 6.14 -1.20 -5.01 117.35 120.33 1wft s TYR 64 Ca 0.00 1.72 0.01 0.00 0.64 0.00 0.00 57.07 59.44 1wft s TYR 64 Cb 0.00 0.39 0.07 0.00 0.42 0.00 0.00 41.96 42.84 1wft s TYR 64 CO 0.00 -0.40 -0.01 0.00 0.64 0.00 0.00 175.55 175.78 1wft n GLY 66 N 4.62 1.63 0.01 0.00 0.00 -1.18 -5.04 105.19 105.22 1wft n GLY 66 Ca -0.07 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1wft n GLY 66 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wft n LEU 67 N 0.00 1.04 -4.87 0.99 -0.00 -1.26 -1.13 117.00 111.77 1wft n LEU 67 Ca 0.00 -1.06 -0.29 0.00 -0.00 0.00 0.00 56.01 54.66 1wft n LEU 67 Cb 0.00 -0.00 0.12 0.00 -0.00 0.00 0.00 43.42 43.54 1wft n LEU 67 CO 0.00 0.26 0.79 -0.54 -0.00 0.00 0.00 177.39 177.90 1wft s LYS 68 N -0.54 1.43 0.00 1.47 3.01 -1.26 -4.76 119.74 119.09 1wft s LYS 68 Ca 0.00 0.04 0.21 0.00 -1.01 0.00 0.00 55.97 55.22 1wft s LYS 68 Cb 0.00 -1.90 0.19 0.00 -1.01 0.00 0.00 37.83 35.12 1wft s LYS 68 CO 0.00 -1.95 1.19 0.25 0.51 0.00 0.00 175.35 175.35 1wft n THR 69 N -3.55 0.06 -3.68 2.17 -2.24 -1.26 -4.90 114.28 100.89 1wft n THR 69 Ca 0.09 -0.53 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 1wft n THR 69 Cb 0.60 1.38 -0.10 0.00 -2.10 0.00 0.00 70.33 70.12 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 -1.72 -0.57 0.28 3.42 0.01 -1.26 -1.60 113.70 112.26 1wft s SER 70 Ca 0.26 1.05 0.05 0.00 1.31 0.00 0.00 55.95 58.62 1wft s SER 70 Cb 0.18 1.04 -0.06 0.00 0.21 0.00 0.00 66.02 67.39 1wft s SER 70 CO 0.27 -0.21 -0.01 0.00 0.41 0.00 0.00 173.24 173.70 1wft s THR 72 N -3.19 3.05 -0.09 0.00 2.01 -1.26 -0.78 115.64 115.38 1wft s THR 72 Ca 0.31 -0.69 -0.03 0.00 0.31 0.00 0.00 61.69 61.59 1wft s THR 72 Cb 0.06 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1wft s THR 72 CO 0.12 0.56 0.04 -0.69 -0.69 0.00 0.00 174.62 173.96 1wft s VAL 73 N -0.16 4.61 0.19 3.82 1.01 -0.08 -4.94 120.40 124.85 1wft s VAL 73 Ca -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 1wft s VAL 73 Cb -0.13 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1wft s VAL 73 CO 0.03 0.59 0.40 0.42 0.00 0.00 0.00 175.10 176.53 1wft s THR 74 N -0.94 5.18 0.16 3.92 -4.23 -1.26 -1.89 115.64 116.58 1wft s THR 74 Ca 0.14 -0.23 -0.15 0.00 -1.18 0.00 0.00 61.69 60.27 1wft s THR 74 Cb -0.12 -3.70 0.03 0.00 1.34 0.00 0.00 72.50 70.05 1wft s THR 74 CO 0.04 -0.12 1.78 0.00 -0.54 0.00 0.00 174.62 175.77 1wft h ALA 75 N 2.21 0.50 -0.98 3.99 0.00 -1.98 -2.26 119.26 120.74 1wft h ALA 75 Ca -0.47 0.01 0.33 0.00 0.00 0.00 0.00 54.91 54.78 1wft h ALA 75 Cb 1.18 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.75 1wft h ALA 75 CO 0.69 -0.16 0.35 0.78 0.00 0.00 0.00 179.25 180.92 1wft h GLY 76 N 0.41 1.81 1.02 0.00 0.00 -2.00 0.28 103.07 104.59 1wft h GLY 76 Ca 0.17 -0.06 -0.25 0.00 0.00 0.00 0.00 47.33 47.19 1wft h GLY 76 CO -0.12 -0.60 -1.04 1.46 0.00 0.00 0.00 176.54 176.24 1wft h GLN 77 N 0.09 0.51 -0.98 4.80 1.08 -1.86 -3.29 115.11 115.46 1wft h GLN 77 Ca 0.71 -0.69 0.21 0.00 -1.45 0.00 0.00 58.65 57.43 1wft h GLN 77 Cb 1.68 0.23 -0.11 0.00 -0.05 0.00 0.00 27.48 29.23 1wft h GLN 77 CO -0.76 1.30 0.57 -0.07 -0.95 0.00 0.00 178.83 178.92 1wft h LEU 78 N 0.05 0.68 -1.31 1.46 3.38 0.06 0.12 115.31 119.73 1wft h LEU 78 Ca -0.16 0.12 0.33 0.00 0.09 0.00 0.00 57.88 58.25 1wft h LEU 78 Cb 1.76 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 42.40 1wft h LEU 78 CO 0.20 0.18 0.71 0.00 0.09 0.00 0.00 178.44 179.61 1wft h ALA 79 N 1.68 2.33 0.00 1.53 0.00 -1.29 1.19 119.26 124.70 1wft h ALA 79 Ca 0.59 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.50 1wft h ALA 79 Cb 1.02 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1wft h ALA 79 CO -0.43 -0.84 -0.47 -0.91 0.00 0.00 0.00 179.25 176.60 1wft h ASN 80 N 0.29 0.00 -1.76 0.00 2.35 -0.96 -3.44 115.58 112.06 1wft h ASN 80 Ca 0.69 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.85 1wft h ASN 80 Cb 1.85 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.22 1wft h ASN 80 CO -0.38 0.47 1.51 0.00 -1.65 0.00 0.00 177.43 177.37 1wft n ALA 81 N -2.24 1.53 -2.45 -0.83 0.00 0.41 -3.73 120.51 113.21 1wft n ALA 81 Ca 0.02 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 1wft n ALA 81 Cb 0.68 -2.90 -0.03 0.00 0.00 0.00 0.00 19.45 17.21 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 8.72 3.19 -0.18 0.00 2.46 -0.12 -5.00 115.29 124.36 1wft s HIS 82 Ca 1.02 1.20 -0.17 0.00 0.47 0.00 0.00 55.06 57.58 1wft s HIS 82 Cb -0.41 -3.43 -0.04 0.00 -0.13 0.00 0.00 32.58 28.57 1wft s HIS 82 CO 0.36 -1.36 0.46 0.42 -2.47 0.00 0.00 174.74 172.15 1wft s ILE 83 N 2.14 5.16 -0.82 0.89 1.01 -1.26 -4.55 121.20 123.76 1wft s ILE 83 Ca 0.56 0.85 -0.25 0.00 0.00 0.00 0.00 60.65 61.81 1wft s ILE 83 Cb -0.25 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.44 1wft s ILE 83 CO 0.23 0.24 1.60 -0.62 0.00 0.00 0.00 174.94 176.38 1wft s ASP 84 N 0.99 5.84 -0.27 3.58 -1.08 -1.17 -4.82 116.67 119.74 1wft s ASP 84 Ca 0.22 -0.59 0.02 0.00 -0.52 0.00 0.00 52.55 51.68 1wft s ASP 84 Cb -0.15 -2.56 0.39 0.00 -1.46 0.00 0.00 42.92 39.14 1wft s ASP 84 CO 0.09 -2.06 1.57 -1.22 0.52 0.00 0.00 175.17 174.07 1wft n TYR 85 N 10.97 1.83 -0.03 -5.34 4.01 -1.26 -3.62 117.16 123.71 1wft n TYR 85 Ca 0.23 -1.36 -0.02 0.00 -0.16 0.00 0.00 57.90 56.60 1wft n TYR 85 Cb 0.50 -0.69 -0.01 0.00 -0.31 0.00 0.00 39.34 38.83 1wft n TYR 85 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1wft h THR 86 N 0.62 0.00 0.00 -0.72 2.02 -2.00 -3.45 112.91 109.37 1wft h THR 86 Ca 0.38 -0.51 -0.41 0.00 0.77 0.00 0.00 66.41 66.64 1wft h THR 86 Cb 2.04 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 68.38 1wft h THR 86 CO 0.67 0.00 -2.45 -1.20 0.37 0.00 0.00 175.52 172.91 1wft n SER 87 N -3.44 1.97 -3.71 4.18 7.64 -1.26 -5.02 113.62 113.98 1wft n SER 87 Ca -0.02 0.10 -0.12 0.00 1.01 0.00 0.00 58.87 59.84 1wft n SER 87 Cb 0.09 -0.59 -0.10 0.00 -1.01 0.00 0.00 64.21 62.59 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 -2.49 0.46 -0.84 1.43 3.52 -1.26 -5.10 118.95 114.67 1wft s ARG 88 Ca -0.35 0.69 -0.25 0.00 -0.13 0.00 0.00 55.73 55.69 1wft s ARG 88 Cb 0.12 0.13 -0.04 0.00 -1.56 0.00 0.00 34.95 33.60 1wft s ARG 88 CO 0.52 -0.10 1.93 -1.25 -0.81 0.00 0.00 175.30 175.59 1wft s PRO 89 N 0.74 2.57 0.14 5.12 0.04 -1.24 -4.50 135.00 137.87 1wft s PRO 89 Ca -0.04 -0.11 -0.03 0.00 0.04 0.00 0.00 61.00 60.86 1wft s PRO 89 Cb -0.05 -4.93 -0.03 0.00 0.04 0.00 0.00 34.50 29.53 1wft s PRO 89 CO -0.05 -3.25 0.11 0.00 0.04 0.00 0.00 177.00 173.85 1wft s ALA 90 N 9.88 0.65 -0.20 8.56 0.00 -1.26 -3.97 121.76 135.43 1wft s ALA 90 Ca 0.70 -1.33 -0.10 0.00 0.00 0.00 0.00 51.96 51.23 1wft s ALA 90 Cb -0.08 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.87 1wft s ALA 90 CO 0.03 -0.53 0.12 0.42 0.00 0.00 0.00 175.76 175.81 1wft s ILE 91 N -4.03 5.31 -0.30 0.00 1.01 -0.48 -3.07 121.20 119.64 1wft s ILE 91 Ca 0.23 0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.85 1wft s ILE 91 Cb 0.06 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 1wft s ILE 91 CO 0.01 0.43 0.54 -0.69 0.00 0.00 0.00 174.94 175.24 1wft s VAL 92 N 0.45 5.02 0.48 2.92 1.01 -1.26 -1.55 120.40 127.47 1wft s VAL 92 Ca 0.07 0.71 0.07 0.00 0.00 0.00 0.00 61.98 62.83 1wft s VAL 92 Cb -0.12 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.37 1wft s VAL 92 CO -0.01 -0.06 0.47 -0.36 0.00 0.00 0.00 175.10 175.14 1wft s PHE 93 N 2.41 2.19 -0.12 5.22 0.08 -0.82 -3.30 117.98 123.64 1wft s PHE 93 Ca 0.21 -0.62 -0.06 0.00 0.12 0.00 0.00 56.93 56.59 1wft s PHE 93 Cb -0.15 -2.13 0.05 0.00 -0.57 0.00 0.00 43.02 40.22 1wft s PHE 93 CO 0.11 -0.43 0.27 1.03 -0.10 0.00 0.00 175.22 176.10 1wft s ARG 94 N -4.28 0.21 -0.04 0.44 1.81 -0.89 -3.65 118.95 112.55 1wft s ARG 94 Ca 0.47 0.61 -0.03 0.00 -1.72 0.00 0.00 55.73 55.06 1wft s ARG 94 Cb -0.04 -0.09 0.01 0.00 -0.45 0.00 0.00 34.95 34.38 1wft s ARG 94 CO 0.28 -0.19 0.09 0.42 -0.68 0.00 0.00 175.30 175.23 1wft s ILE 95 N 1.52 -0.00 0.13 1.52 1.01 -1.20 -1.27 121.20 122.92 1wft s ILE 95 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 60.65 60.33 1wft s ILE 95 Cb -0.11 -0.14 0.07 0.00 0.01 0.00 0.00 42.46 42.29 1wft s ILE 95 CO -0.09 0.00 0.81 -0.55 0.00 0.00 0.00 174.94 175.11 1wft s SER 96 N 0.05 -0.34 -0.06 3.58 0.15 -1.24 -2.36 113.70 113.48 1wft s SER 96 Ca -0.00 -0.22 -0.04 0.00 0.70 0.00 0.00 55.95 56.39 1wft s SER 96 Cb -0.01 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.79 1wft s SER 96 CO 0.00 -0.91 0.11 0.00 1.20 0.00 0.00 173.24 173.64 1wft s ALA 97 N -3.46 3.73 -0.23 5.45 0.00 -1.26 -3.86 121.76 122.14 1wft s ALA 97 Ca 0.07 -0.75 -0.10 0.00 0.00 0.00 0.00 51.96 51.18 1wft s ALA 97 Cb -0.02 -1.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 1wft s ALA 97 CO -0.04 0.66 0.15 0.21 0.00 0.00 0.00 175.76 176.74 1wft s LYS 98 N -1.39 4.09 0.52 0.00 2.20 -1.17 -3.84 119.74 120.14 1wft s LYS 98 Ca 0.19 -0.27 0.08 0.00 -0.36 0.00 0.00 55.97 55.62 1wft s LYS 98 Cb -0.12 -3.49 0.05 0.00 -1.51 0.00 0.00 37.83 32.76 1wft s LYS 98 CO 0.09 0.12 0.61 1.21 -0.36 0.00 0.00 175.35 177.03 1wft s ASN 99 N 0.87 5.09 0.49 1.43 3.84 0.43 -3.62 114.94 123.47 1wft s ASN 99 Ca 0.07 -0.85 0.39 0.00 0.21 0.00 0.00 52.86 52.69 1wft s ASN 99 Cb -0.13 0.03 1.58 0.00 -0.55 0.00 0.00 41.25 42.18 1wft s ASN 99 CO 0.03 -1.09 1.60 -0.33 -2.79 0.00 0.00 177.10 174.52 1wft h GLU 100 N 0.51 0.02 0.00 0.43 4.39 -1.98 0.49 114.58 118.43 1wft h GLU 100 Ca -0.35 -0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.17 1wft h GLU 100 Cb 1.29 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.91 1wft h GLU 100 CO 0.47 0.02 -1.05 0.87 -1.16 0.00 0.00 179.01 178.16 1wft h LYS 101 N 0.02 0.00 0.00 2.33 1.79 -2.02 -3.51 116.57 115.18 1wft h LYS 101 Ca 0.88 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.35 1wft h LYS 101 Cb 3.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 33.77 1wft h LYS 101 CO -0.26 0.83 0.00 0.41 -1.08 0.00 0.00 179.45 179.36 1wft n GLY 102 N 1.48 -0.51 3.78 3.86 0.00 0.16 -5.13 105.19 108.83 1wft n GLY 102 Ca -0.26 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.16 3.61 0.00 1.61 2.02 -1.26 -0.43 117.35 119.74 1wft s TYR 103 Ca 0.00 1.75 0.00 0.00 -0.37 0.00 0.00 57.07 58.45 1wft s TYR 103 Cb 0.00 -2.96 0.00 0.00 -0.40 0.00 0.00 41.96 38.60 1wft s TYR 103 CO 0.00 0.06 0.00 0.41 -1.57 0.00 0.00 175.55 174.45 1wft n GLY 104 N 0.47 1.08 3.69 0.71 0.00 -1.25 -4.97 105.19 104.91 1wft n GLY 104 Ca 0.03 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 0.82 4.27 -0.07 1.61 0.04 -1.26 -5.02 135.00 135.38 1wft s PRO 105 Ca 0.00 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.08 1wft s PRO 105 Cb 0.00 -3.58 -0.03 0.00 0.04 0.00 0.00 34.50 30.93 1wft s PRO 105 CO 0.00 -0.60 -0.10 0.00 0.04 0.00 0.00 177.00 176.34 1wft s ALA 106 N 2.46 2.86 -0.10 8.56 0.00 -1.26 -4.52 121.76 129.76 1wft s ALA 106 Ca 0.65 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 1wft s ALA 106 Cb -0.33 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 1wft s ALA 106 CO 0.27 0.52 -0.02 0.99 0.00 0.00 0.00 175.76 177.53 1wft s THR 107 N -0.63 4.14 -0.13 0.00 2.01 -0.99 -5.00 115.64 115.04 1wft s THR 107 Ca 0.09 -0.31 -0.02 0.00 0.31 0.00 0.00 61.69 61.77 1wft s THR 107 Cb -0.11 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 1wft s THR 107 CO 0.02 0.58 -0.07 -1.58 -0.69 0.00 0.00 174.62 172.88 1wft s GLN 108 N -0.63 3.38 0.11 4.92 0.74 -1.26 -3.21 119.66 123.70 1wft s GLN 108 Ca 0.10 -0.56 0.05 0.00 0.05 0.00 0.00 55.36 54.99 1wft s GLN 108 Cb -0.12 -2.77 -0.04 0.00 1.10 0.00 0.00 33.01 31.19 1wft s GLN 108 CO 0.02 0.34 -0.12 -1.50 -0.55 0.00 0.00 175.29 173.48 1wft s ILE 109 N 0.06 1.12 -0.06 -2.34 2.07 -1.24 -4.99 121.20 115.83 1wft s ILE 109 Ca -0.02 -1.64 0.06 0.00 -1.41 0.00 0.00 60.65 57.64 1wft s ILE 109 Cb -0.14 -1.40 -0.01 0.00 0.13 0.00 0.00 42.46 41.04 1wft s ILE 109 CO 0.03 -0.47 -0.24 -0.13 -1.91 0.00 0.00 174.94 172.22 1wft s ARG 110 N -2.64 2.53 -0.26 3.50 3.00 -1.25 -1.95 118.95 121.87 1wft s ARG 110 Ca 0.06 -0.88 -0.03 0.00 0.00 0.00 0.00 55.73 54.89 1wft s ARG 110 Cb -0.04 -2.12 0.02 0.00 0.00 0.00 0.00 34.95 32.81 1wft s ARG 110 CO 0.02 0.36 -0.03 -0.46 0.00 0.00 0.00 175.30 175.18 1wft s TRP 111 N -0.11 3.10 -0.63 -0.53 -0.00 -0.60 -4.84 118.94 115.34 1wft s TRP 111 Ca -0.05 -1.46 -0.27 0.00 -0.00 0.00 0.00 56.10 54.32 1wft s TRP 111 Cb -0.14 -2.10 0.04 0.00 -0.00 0.00 0.00 33.47 31.26 1wft s TRP 111 CO 0.04 -0.70 1.15 -0.51 -0.00 0.00 0.00 176.95 176.92 1wft s LEU 112 N 1.35 3.58 -0.02 5.86 1.43 -1.26 -1.39 118.68 128.23 1wft s LEU 112 Ca 0.00 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 1wft s LEU 112 Cb -0.17 -2.85 -0.06 0.00 0.03 0.00 0.00 46.19 43.14 1wft s LEU 112 CO -0.03 -1.54 1.55 -1.10 0.23 0.00 0.00 176.35 175.46 1wft s GLN 113 N 4.91 4.22 0.00 1.70 -0.21 -1.25 -4.63 119.66 124.40 1wft s GLN 113 Ca 0.36 2.11 0.00 0.00 0.02 0.00 0.00 55.36 57.85 1wft s GLN 113 Cb -0.09 -3.76 0.00 0.00 1.00 0.00 0.00 33.01 30.16 1wft s GLN 113 CO 0.20 -0.73 0.00 0.41 -2.12 0.00 0.00 175.29 173.05 1wft n GLY 114 N 3.91 0.19 0.25 3.09 0.00 -1.26 -4.94 105.19 106.43 1wft n GLY 114 Ca 0.15 -0.13 0.24 0.00 0.00 0.00 0.00 46.02 46.29 1wft n GLY 114 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wft n ASN 115 N -1.39 0.25 -2.84 1.61 2.85 -1.26 -4.52 115.26 109.95 1wft n ASN 115 Ca 0.00 1.29 -0.15 0.00 -0.11 0.00 0.00 54.58 55.61 1wft n ASN 115 Cb 0.00 -0.62 -0.05 0.00 1.24 0.00 0.00 39.78 40.35 1wft n ASN 115 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1wft n SER 116 N -4.77 0.67 -3.66 1.20 3.41 -1.26 -5.17 113.62 104.04 1wft n SER 116 Ca 0.29 -2.40 -0.07 0.00 -0.26 0.00 0.00 58.87 56.43 1wft n SER 116 Cb 0.98 0.78 -0.08 0.00 -0.26 0.00 0.00 64.21 65.63 1wft n SER 116 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1wft s LYS 117 N -2.96 0.50 -0.13 4.33 2.20 -1.26 -5.06 119.74 117.35 1wft s LYS 117 Ca 0.17 1.08 -0.33 0.00 -0.36 0.00 0.00 55.97 56.53 1wft s LYS 117 Cb 0.01 0.25 -0.16 0.00 -1.51 0.00 0.00 37.83 36.42 1wft s LYS 117 CO 0.12 -0.18 0.99 0.43 -0.36 0.00 0.00 175.35 176.34 1wft n SER 118 N 4.71 0.31 -4.56 1.43 7.64 -1.26 -4.77 113.62 117.12 1wft n SER 118 Ca -0.17 0.92 -0.40 0.00 1.01 0.00 0.00 58.87 60.23 1wft n SER 118 Cb 0.54 -0.72 0.02 0.00 -1.01 0.00 0.00 64.21 63.05 1wft n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wft n GLY 119 N 1.85 -0.63 3.62 0.23 0.00 -1.26 -4.86 105.19 104.13 1wft n GLY 119 Ca 0.19 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.07 3.60 -0.24 1.61 0.04 -1.26 -4.95 135.00 131.73 1wft s PRO 120 Ca 0.66 1.49 -0.27 0.00 0.04 0.00 0.00 61.00 62.92 1wft s PRO 120 Cb -0.53 -4.09 0.12 0.00 0.04 0.00 0.00 34.50 30.04 1wft s PRO 120 CO 0.55 -1.53 0.97 -1.54 0.04 0.00 0.00 177.00 175.49 1wft s SER 121 N 4.86 -0.47 0.44 6.66 1.04 -1.26 -5.15 113.70 119.82 1wft s SER 121 Ca 0.73 0.79 -0.25 0.00 0.48 0.00 0.00 55.95 57.71 1wft s SER 121 Cb -0.23 0.77 -0.08 0.00 0.10 0.00 0.00 66.02 66.58 1wft s SER 121 CO 0.31 -0.24 1.30 -0.44 0.98 0.00 0.00 173.24 175.15 1wft s SER 122 N -0.19 6.06 0.00 7.02 0.01 -1.26 -5.24 113.70 120.11 1wft s SER 122 Ca 0.01 2.63 0.00 0.00 1.31 0.00 0.00 55.95 59.90 1wft s SER 122 Cb -0.04 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1wft s SER 122 CO -0.03 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.21