#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wro s LEU 6 N 0.00 3.22 0.00 -2.67 2.34 -1.26 -5.02 118.68 115.29 2wro s LEU 6 Ca 0.00 1.76 0.00 0.00 0.06 0.00 0.00 54.13 55.95 2wro s LEU 6 Cb 0.00 -4.52 0.00 0.00 -0.56 0.00 0.00 46.19 41.11 2wro s LEU 6 CO 0.00 -1.55 0.76 -1.14 -1.06 0.00 0.00 176.35 173.36 2wro n ARG 7 N -2.88 0.00 -2.35 1.48 3.00 -1.26 -4.35 116.66 110.30 2wro n ARG 7 Ca 0.09 0.49 -0.36 0.00 -0.00 0.00 0.00 57.85 58.07 2wro n ARG 7 Cb 0.53 -1.38 -0.03 0.00 0.00 0.00 0.00 32.46 31.58 2wro n ARG 7 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2wro s PRO 8 N -2.51 3.24 0.00 -0.14 0.04 -1.26 -4.05 135.00 130.32 2wro s PRO 8 Ca 0.00 -1.17 0.00 0.00 0.04 0.00 0.00 61.00 59.87 2wro s PRO 8 Cb 0.00 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.22 2wro s PRO 8 CO 0.00 -2.85 0.00 -1.71 0.04 0.00 0.00 177.00 172.48 2wro n ASN 9 N 11.03 0.00 -0.27 6.66 5.15 -1.26 -5.01 115.26 131.56 2wro n ASN 9 Ca 0.41 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 54.32 2wro n ASN 9 Cb 0.48 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.67 2wro n ASN 9 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2wro n PRO 10 N -1.06 -0.28 -1.42 1.20 -0.04 -1.26 -4.88 135.00 127.27 2wro n PRO 10 Ca 0.00 0.98 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 2wro n PRO 10 Cb 0.00 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 2wro n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wro n GLY 11 N -1.17 -0.67 2.69 0.55 0.00 -1.26 -4.75 105.19 100.58 2wro n GLY 11 Ca 0.02 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2wro n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wro n ALA 12 N 0.06 -2.73 -1.00 4.61 0.00 -1.26 -4.96 120.51 115.23 2wro n ALA 12 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2wro n ALA 12 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2wro n ALA 12 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2wro n ASN 13 N 1.97 0.00 -1.16 0.00 5.15 -1.26 -4.82 115.26 115.14 2wro n ASN 13 Ca 0.08 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.03 2wro n ASN 13 Cb 0.35 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.62 2wro n ASN 13 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2wro n LYS 14 N 0.00 1.16 0.00 1.20 5.02 -1.26 -4.33 118.16 119.95 2wro n LYS 14 Ca 0.00 -0.38 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 2wro n LYS 14 Cb 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 2wro n LYS 14 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2wro n ARG 15 N 0.29 0.00 -0.06 1.97 0.63 -1.26 -5.03 116.66 113.19 2wro n ARG 15 Ca 0.08 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.86 2wro n ARG 15 Cb 0.65 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.43 2wro n ARG 15 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 2wro h ARG 16 N 0.00 0.02 -5.91 -0.14 -0.00 -1.92 -3.49 114.38 102.94 2wro h ARG 16 Ca 0.00 -0.04 -0.37 0.00 -0.00 0.00 0.00 59.98 59.57 2wro h ARG 16 Cb 0.00 0.01 0.11 0.00 -0.00 0.00 0.00 29.97 30.09 2wro h ARG 16 CO 0.00 1.02 -0.85 1.17 -0.00 0.00 0.00 179.97 181.31 2wro n LYS 17 N -4.56 -3.89 0.09 0.08 4.81 -1.26 -4.92 118.16 108.51 2wro n LYS 17 Ca -0.11 0.67 0.11 0.00 -0.87 0.00 0.00 58.31 58.12 2wro n LYS 17 Cb 0.52 -5.22 0.45 0.00 0.02 0.00 0.00 35.03 30.80 2wro n LYS 17 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2wro n ARG 18 N -4.01 0.16 -1.50 1.64 5.12 -1.26 -4.69 116.66 112.11 2wro n ARG 18 Ca -0.21 0.31 -0.18 0.00 -1.93 0.00 0.00 57.85 55.85 2wro n ARG 18 Cb 0.65 -1.76 -0.16 0.00 -1.16 0.00 0.00 32.46 30.03 2wro n ARG 18 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2wro n VAL 19 N -2.04 0.00 0.00 1.55 0.31 -1.26 -4.82 118.33 112.06 2wro n VAL 19 Ca 0.03 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 2wro n VAL 19 Cb 0.27 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 2wro n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wro n GLY 20 N 5.94 -2.54 0.00 2.92 0.00 -1.26 -5.02 105.19 105.23 2wro n GLY 20 Ca 0.57 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.60 2wro n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wro n ARG 21 N -0.12 0.00 -4.08 1.61 0.63 -1.26 -5.16 116.66 108.28 2wro n ARG 21 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 2wro n ARG 21 Cb 0.00 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 32.79 2wro n ARG 21 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2wro s GLY 22 N 0.00 1.74 -0.18 5.14 0.00 -1.26 -5.00 107.32 107.76 2wro s GLY 22 Ca 0.00 -0.96 0.15 0.00 0.00 0.00 0.00 44.72 43.91 2wro s GLY 22 CO 0.00 0.20 1.23 -1.55 0.00 0.00 0.00 173.10 172.98 2wro n PRO 23 N 4.14 1.59 -3.92 2.90 -0.05 -1.25 -3.55 135.00 134.86 2wro n PRO 23 Ca -0.17 -2.92 -0.29 0.00 -0.05 0.00 0.00 63.50 60.07 2wro n PRO 23 Cb 0.52 -1.60 -0.13 0.00 -0.05 0.00 0.00 33.50 32.23 2wro n PRO 23 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 2wro s GLY 24 N -2.89 2.61 0.00 0.55 0.00 -1.23 -2.74 107.32 103.64 2wro s GLY 24 Ca 0.36 -3.48 0.00 0.00 0.00 0.00 0.00 44.72 41.61 2wro s GLY 24 CO -0.00 1.06 0.00 -1.14 0.00 0.00 0.00 173.10 173.02 2wro n SER 25 N 2.66 2.98 -0.05 1.64 3.41 -1.26 -5.00 113.62 118.00 2wro n SER 25 Ca 0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.62 2wro n SER 25 Cb 0.33 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.24 2wro n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wro n GLY 26 N 0.00 -0.16 3.34 5.00 0.00 -1.26 -4.62 105.19 107.48 2wro n GLY 26 Ca 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 2wro n GLY 26 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wro s HIS 27 N -2.20 1.60 0.00 1.61 5.65 -1.26 -4.85 115.29 115.84 2wro s HIS 27 Ca -0.15 -1.37 0.00 0.00 0.25 0.00 0.00 55.06 53.79 2wro s HIS 27 Cb 0.05 -0.86 0.00 0.00 -1.18 0.00 0.00 32.58 30.59 2wro s HIS 27 CO 0.21 -0.52 0.00 0.41 -0.65 0.00 0.00 174.74 174.19 2wro n GLY 28 N -0.59 0.65 3.13 1.59 0.00 -1.26 -4.76 105.19 103.95 2wro n GLY 28 Ca 0.01 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 2wro n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wro s LYS 29 N 0.00 1.52 0.16 1.61 3.01 -1.23 -5.06 119.74 119.76 2wro s LYS 29 Ca 0.00 -0.57 -0.22 0.00 -1.01 0.00 0.00 55.97 54.17 2wro s LYS 29 Cb 0.00 -1.39 0.06 0.00 -1.01 0.00 0.00 37.83 35.50 2wro s LYS 29 CO 0.00 0.28 0.59 0.99 0.51 0.00 0.00 175.35 177.71 2wro s THR 30 N -0.12 0.01 0.00 2.17 2.01 -1.19 -3.47 115.64 115.05 2wro s THR 30 Ca 0.00 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.89 2wro s THR 30 Cb -0.09 -1.08 0.00 0.00 0.01 0.00 0.00 72.50 71.34 2wro s THR 30 CO 0.01 -0.03 0.00 0.00 -0.69 0.00 0.00 174.62 173.91 2wro n ALA 31 N -0.37 0.00 -0.47 7.40 0.00 -1.11 -3.35 120.51 122.61 2wro n ALA 31 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.22 2wro n ALA 31 Cb 0.65 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.02 2wro n ALA 31 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wro n THR 32 N 0.00 1.41 -0.23 0.00 -2.24 -1.26 -4.77 114.28 107.19 2wro n THR 32 Ca 0.00 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 2wro n THR 32 Cb 0.00 -1.72 0.00 0.00 -2.10 0.00 0.00 70.33 66.51 2wro n THR 32 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wro n ARG 33 N 2.72 0.00 0.00 -0.78 3.00 -1.21 -4.13 116.66 116.26 2wro n ARG 33 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.05 2wro n ARG 33 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.89 2wro n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wro n GLY 34 N 0.50 0.00 0.00 5.14 0.00 -1.26 -4.02 105.19 105.55 2wro n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wro n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wro n HIS 35 N 0.00 0.00 -1.48 1.61 8.25 -1.26 -5.03 115.22 117.31 2wro n HIS 35 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 2wro n HIS 35 Cb 0.00 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wro n HIS 35 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2wro n LYS 36 N 0.00 0.68 0.00 -0.41 2.85 -1.26 -4.94 118.16 115.08 2wro n LYS 36 Ca 0.00 0.24 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 2wro n LYS 36 Cb 0.00 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 2wro n LYS 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wro n GLY 37 N 1.67 -0.10 0.00 2.58 0.00 -1.26 -4.76 105.19 103.32 2wro n GLY 37 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2wro n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wro n GLN 38 N 0.00 0.00 -3.15 1.61 10.64 -1.26 -5.15 117.38 120.07 2wro n GLN 38 Ca 0.00 0.00 0.04 0.00 -1.83 0.00 0.00 57.00 55.21 2wro n GLN 38 Cb 0.36 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.74 2wro n GLN 38 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 2wro s LYS 39 N 3.65 0.43 0.00 2.61 2.36 -1.26 -4.78 119.74 122.75 2wro s LYS 39 Ca 0.00 0.58 0.00 0.00 -2.55 0.00 0.00 55.97 54.00 2wro s LYS 39 Cb 0.00 0.30 0.00 0.00 -1.05 0.00 0.00 37.83 37.08 2wro s LYS 39 CO 0.00 -0.65 0.00 0.43 1.55 0.00 0.00 175.35 176.68 2wro n SER 40 N 5.38 0.00 -3.36 1.43 7.64 -1.26 -4.96 113.62 118.48 2wro n SER 40 Ca 0.02 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.64 2wro n SER 40 Cb 0.54 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.65 2wro n SER 40 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wro n ARG 41 N 0.00 0.62 0.00 1.43 5.12 -1.26 -4.79 116.66 117.77 2wro n ARG 41 Ca 0.00 -3.37 0.00 0.00 -1.93 0.00 0.00 57.85 52.55 2wro n ARG 41 Cb 0.00 -1.59 0.00 0.00 -1.16 0.00 0.00 32.46 29.71 2wro n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2wro n SER 42 N 2.17 0.00 0.00 0.55 3.41 -1.26 -4.93 113.62 113.56 2wro n SER 42 Ca 0.26 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 2wro n SER 42 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2wro n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wro n GLY 43 N 0.00 0.79 0.00 5.00 0.00 -1.26 -5.12 105.19 104.60 2wro n GLY 43 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2wro n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wro n GLY 44 N 0.00 4.42 3.79 -0.02 0.00 -1.26 -5.19 105.19 106.93 2wro n GLY 44 Ca 0.00 -1.45 0.03 0.00 0.00 0.00 0.00 46.02 44.60 2wro n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wro s LEU 45 N 0.00 -0.02 0.00 0.99 0.20 -1.26 -4.66 118.68 113.94 2wro s LEU 45 Ca 0.00 -0.12 0.00 0.00 0.69 0.00 0.00 54.13 54.70 2wro s LEU 45 Cb 0.00 1.24 0.00 0.00 -0.43 0.00 0.00 46.19 47.00 2wro s LEU 45 CO 0.00 -0.21 0.00 1.17 -0.29 0.00 0.00 176.35 177.02 2wro n LYS 46 N -0.70 0.00 0.00 1.98 3.00 -1.26 -5.05 118.16 116.13 2wro n LYS 46 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 2wro n LYS 46 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.64 2wro n LYS 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2wro n ASP 47 N 0.00 0.00 -1.62 3.14 10.43 -1.26 -4.95 116.55 122.29 2wro n ASP 47 Ca 0.00 0.00 -0.06 0.00 2.57 0.00 0.00 54.79 57.30 2wro n ASP 47 Cb 0.00 0.00 0.20 0.00 1.84 0.00 0.00 41.12 43.16 2wro n ASP 47 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 2wro n PRO 48 N -0.27 2.74 0.00 -0.24 -0.04 -1.26 -5.05 135.00 130.88 2wro n PRO 48 Ca 0.00 -2.06 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 2wro n PRO 48 Cb 0.00 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 2wro n PRO 48 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wro n ARG 49 N -0.08 0.00 0.16 0.54 1.74 -1.26 -3.97 116.66 113.79 2wro n ARG 49 Ca 0.29 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.44 2wro n ARG 49 Cb 1.08 -0.22 0.07 0.00 -1.02 0.00 0.00 32.46 32.37 2wro n ARG 49 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 2wro h ARG 50 N 0.00 0.00 0.00 5.56 0.11 -2.00 -3.48 114.38 114.57 2wro h ARG 50 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wro h ARG 50 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2wro h ARG 50 CO 0.00 0.27 0.00 1.19 0.10 0.00 0.00 179.97 181.53 2wro n PHE 51 N -3.13 -3.50 -0.06 4.08 3.72 -1.25 -4.63 117.46 112.69 2wro n PHE 51 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2wro n PHE 51 Cb 0.65 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 2wro n PHE 51 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2wro n GLU 52 N -0.92 0.00 0.00 -1.08 4.07 -1.26 -4.91 120.64 116.53 2wro n GLU 52 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2wro n GLU 52 Cb 0.00 -0.06 0.00 0.00 -0.06 0.00 0.00 31.44 31.32 2wro n GLU 52 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wro n GLY 53 N -0.25 3.62 0.00 8.31 0.00 -1.26 -4.64 105.19 110.97 2wro n GLY 53 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2wro n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wro n GLY 54 N 0.00 2.28 3.60 -0.02 0.00 -1.26 -5.08 105.19 104.71 2wro n GLY 54 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2wro n GLY 54 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wro s ARG 55 N -0.44 0.24 -0.71 1.61 3.03 -1.26 -4.68 118.95 116.73 2wro s ARG 55 Ca 0.00 1.20 -0.26 0.00 2.03 0.00 0.00 55.73 58.70 2wro s ARG 55 Cb 0.00 -1.66 -0.09 0.00 -1.03 0.00 0.00 34.95 32.17 2wro s ARG 55 CO 0.00 -3.05 2.28 -1.12 -1.13 0.00 0.00 175.30 172.28 2wro s SER 56 N -2.67 4.38 0.00 -2.89 0.01 -1.26 -4.81 113.70 106.45 2wro s SER 56 Ca 0.67 0.22 0.00 0.00 1.31 0.00 0.00 55.95 58.15 2wro s SER 56 Cb -0.23 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.46 2wro s SER 56 CO 0.61 -3.29 0.00 0.35 0.41 0.00 0.00 173.24 171.32 2wro n THR 57 N 8.27 0.00 -1.88 1.44 -2.24 -1.26 -4.49 114.28 114.12 2wro n THR 57 Ca 0.40 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.18 2wro n THR 57 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 2wro n THR 57 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2wro n THR 58 N 0.00 0.00 0.62 4.28 -1.04 -1.26 -4.78 114.28 112.10 2wro n THR 58 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 2wro n THR 58 Cb 0.00 0.42 0.27 0.00 -1.82 0.00 0.00 70.33 69.20 2wro n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2wro n LEU 59 N 0.00 2.58 0.15 -4.42 0.00 -1.26 -4.23 117.00 109.82 2wro n LEU 59 Ca 0.00 -1.19 0.07 0.00 0.00 0.00 0.00 56.01 54.89 2wro n LEU 59 Cb 0.62 -0.25 0.38 0.00 0.00 0.00 0.00 43.42 44.18 2wro n LEU 59 CO 0.00 0.59 0.79 0.23 0.00 0.00 0.00 177.39 179.00 2wro n MET 60 N 0.91 0.09 -1.26 1.96 2.81 -1.26 -4.53 117.12 115.84 2wro n MET 60 Ca 0.17 0.57 -0.34 0.00 -1.81 0.00 0.00 57.70 56.29 2wro n MET 60 Cb 0.44 -2.04 0.11 0.00 -0.71 0.00 0.00 33.22 31.02 2wro n MET 60 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 2wro s ARG 61 N -3.32 1.88 0.02 0.03 1.04 -1.26 -5.05 118.95 112.28 2wro s ARG 61 Ca -0.02 1.74 0.06 0.00 -1.04 0.00 0.00 55.73 56.47 2wro s ARG 61 Cb 0.04 -1.80 -0.03 0.00 -2.04 0.00 0.00 34.95 31.11 2wro s ARG 61 CO 0.13 -2.03 -0.15 -0.48 -0.04 0.00 0.00 175.30 172.73 2wro s LEU 62 N -5.47 2.77 0.00 -1.89 2.34 -1.26 -5.04 118.68 110.13 2wro s LEU 62 Ca 0.73 -0.33 0.00 0.00 0.06 0.00 0.00 54.13 54.60 2wro s LEU 62 Cb -0.28 -1.61 0.00 0.00 -0.56 0.00 0.00 46.19 43.74 2wro s LEU 62 CO 0.48 0.27 0.47 -0.81 -1.06 0.00 0.00 176.35 175.71 2wro n PRO 63 N 1.63 0.64 0.00 1.48 -0.04 -1.26 -4.78 135.00 132.67 2wro n PRO 63 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2wro n PRO 63 Cb 0.52 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 2wro n PRO 63 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2wro n LYS 64 N 0.41 0.00 -0.97 0.54 3.00 -1.26 -3.17 118.16 116.72 2wro n LYS 64 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 2wro n LYS 64 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.25 2wro n LYS 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2wro n ARG 65 N -0.86 0.00 -3.27 1.64 1.74 -1.26 -4.74 116.66 109.91 2wro n ARG 65 Ca 0.00 -0.19 -0.36 0.00 -0.77 0.00 0.00 57.85 56.53 2wro n ARG 65 Cb 0.00 -1.30 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 2wro n ARG 65 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2wro s GLY 66 N 2.96 2.51 0.00 -0.13 0.00 -1.19 -4.53 107.32 106.94 2wro s GLY 66 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.80 2wro s GLY 66 CO 0.05 0.28 0.00 -0.13 0.00 0.00 0.00 173.10 173.29 2wro n MET 67 N 0.79 0.00 0.05 2.90 0.00 -1.26 -5.03 117.12 114.56 2wro n MET 67 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 57.70 57.78 2wro n MET 67 Cb 0.52 0.00 0.33 0.00 0.00 0.00 0.00 33.22 34.06 2wro n MET 67 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 2wro n GLN 68 N 0.00 0.18 0.00 2.12 -0.06 -1.26 -4.99 117.38 113.37 2wro n GLN 68 Ca 0.00 0.09 0.00 0.00 -2.00 0.00 0.00 57.00 55.09 2wro n GLN 68 Cb 0.00 -1.65 0.00 0.00 -4.06 0.00 0.00 30.24 24.53 2wro n GLN 68 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2wro n GLY 69 N 1.39 3.37 0.00 1.69 0.00 -1.26 -5.01 105.19 105.37 2wro n GLY 69 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2wro n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wro n GLN 70 N 0.00 0.00 0.00 1.61 -0.06 -1.26 -4.93 117.38 112.74 2wro n GLN 70 Ca 0.00 0.51 0.00 0.00 -2.00 0.00 0.00 57.00 55.51 2wro n GLN 70 Cb 0.00 -1.07 0.00 0.00 -4.06 0.00 0.00 30.24 25.11 2wro n GLN 70 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 2wro n VAL 71 N -1.23 0.00 -0.43 1.69 3.14 -1.26 -4.98 118.33 115.26 2wro n VAL 71 Ca 0.00 0.00 0.37 0.00 -2.96 0.00 0.00 64.34 61.75 2wro n VAL 71 Cb 0.00 0.00 0.64 0.00 -1.06 0.00 0.00 33.84 33.42 2wro n VAL 71 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 2wro h PRO 72 N 0.00 0.05 0.00 1.45 0.11 -2.04 -3.45 132.00 128.12 2wro h PRO 72 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wro h PRO 72 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 2wro h PRO 72 CO 0.00 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.23 2wro n GLY 73 N -1.46 -0.26 3.77 -0.55 0.00 -1.26 -5.12 105.19 100.31 2wro n GLY 73 Ca 0.38 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 2wro n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wro s GLU 74 N -0.78 2.96 -0.09 1.61 2.12 -1.26 -4.67 118.70 118.59 2wro s GLU 74 Ca 0.00 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.45 2wro s GLU 74 Cb 0.00 -2.78 -0.01 0.00 0.26 0.00 0.00 34.13 31.59 2wro s GLU 74 CO 0.00 0.61 1.01 0.42 -0.54 0.00 0.00 175.26 176.76 2wro s ILE 75 N -1.26 4.77 0.00 -3.70 1.09 -1.26 -4.93 121.20 115.92 2wro s ILE 75 Ca 0.25 2.03 -0.02 0.00 -1.10 0.00 0.00 60.65 61.81 2wro s ILE 75 Cb -0.12 -4.31 -0.02 0.00 -1.06 0.00 0.00 42.46 36.95 2wro s ILE 75 CO 0.17 0.02 0.99 1.17 -0.10 0.00 0.00 174.94 177.19 2wro n LYS 76 N 4.89 0.00 -3.47 2.79 3.00 -1.26 -4.88 118.16 119.23 2wro n LYS 76 Ca 0.09 -0.51 -0.38 0.00 -0.00 0.00 0.00 58.31 57.50 2wro n LYS 76 Cb 0.49 -1.99 -0.09 0.00 0.00 0.00 0.00 35.03 33.44 2wro n LYS 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2wro s ARG 77 N 4.96 4.07 0.67 1.64 6.06 -1.26 -5.05 118.95 130.03 2wro s ARG 77 Ca 0.04 -0.02 -0.17 0.00 -2.50 0.00 0.00 55.73 53.08 2wro s ARG 77 Cb 0.01 -3.60 -0.05 0.00 0.06 0.00 0.00 34.95 31.38 2wro s ARG 77 CO 0.02 -0.12 0.60 -0.35 -2.50 0.00 0.00 175.30 172.95 2wro n PRO 78 N 4.82 0.43 -4.44 5.12 -0.04 -1.26 -4.99 135.00 134.64 2wro n PRO 78 Ca -0.10 0.18 -0.28 0.00 -0.04 0.00 0.00 63.50 63.25 2wro n PRO 78 Cb 0.51 -1.86 -0.17 0.00 -0.04 0.00 0.00 33.50 31.95 2wro n PRO 78 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2wro s ARG 79 N -2.63 2.21 0.00 0.54 1.70 -1.26 -5.05 118.95 114.46 2wro s ARG 79 Ca 0.68 -0.56 0.00 0.00 -0.47 0.00 0.00 55.73 55.39 2wro s ARG 79 Cb -0.38 -1.89 0.00 0.00 -0.57 0.00 0.00 34.95 32.11 2wro s ARG 79 CO 0.55 -0.07 0.00 0.66 -1.08 0.00 0.00 175.30 175.36 2wro n TYR 80 N 4.23 0.00 0.00 5.89 0.53 -1.26 -2.25 117.16 124.30 2wro n TYR 80 Ca -0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.69 2wro n TYR 80 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.82 2wro n TYR 80 CO 0.00 0.00 0.00 0.94 -1.02 0.00 0.00 176.86 176.78 2wro n GLN 81 N 0.00 0.00 -0.23 -0.72 7.27 -1.26 -4.68 117.38 117.76 2wro n GLN 81 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.98 2wro n GLN 81 Cb 0.00 0.00 0.08 0.00 2.41 0.00 0.00 30.24 32.73 2wro n GLN 81 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2wro n GLY 82 N 0.00 -2.91 0.00 1.69 0.00 -1.26 -2.10 105.19 100.61 2wro n GLY 82 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2wro n GLY 82 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2wro n VAL 83 N -3.37 0.00 -3.61 1.61 3.14 -1.21 -4.76 118.33 110.14 2wro n VAL 83 Ca 0.04 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.06 2wro n VAL 83 Cb 0.17 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.87 2wro n VAL 83 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2wro s ASN 84 N 0.00 6.33 0.00 6.55 0.02 -1.25 -1.78 114.94 124.80 2wro s ASN 84 Ca 0.00 0.38 0.00 0.00 -1.02 0.00 0.00 52.86 52.22 2wro s ASN 84 Cb 0.00 -2.15 0.00 0.00 0.02 0.00 0.00 41.25 39.12 2wro s ASN 84 CO 0.00 0.11 0.32 0.00 0.02 0.00 0.00 177.10 177.55 2wro n LEU 85 N 3.67 0.17 -0.09 0.60 -0.00 -0.61 0.14 117.00 120.89 2wro n LEU 85 Ca -0.13 -0.08 -0.23 0.00 -0.00 0.00 0.00 56.01 55.56 2wro n LEU 85 Cb 0.52 -0.08 -0.12 0.00 -0.00 0.00 0.00 43.42 43.73 2wro n LEU 85 CO 0.38 0.04 -0.95 1.17 -0.00 0.00 0.00 177.39 178.03 2wro n LYS 86 N -0.16 0.64 -0.02 1.47 4.81 -1.23 -3.44 118.16 120.22 2wro n LYS 86 Ca 0.00 0.34 -0.12 0.00 -0.87 0.00 0.00 58.31 57.67 2wro n LYS 86 Cb 0.04 -1.64 -0.10 0.00 0.02 0.00 0.00 35.03 33.35 2wro n LYS 86 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2wro h ASP 87 N -0.52 -0.05 -0.54 3.14 3.32 0.96 -3.22 116.42 119.51 2wro h ASP 87 Ca -0.49 -0.62 0.14 0.00 0.02 0.00 0.00 57.03 56.08 2wro h ASP 87 Cb 1.69 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 41.22 2wro h ASP 87 CO -0.15 0.66 0.38 0.25 -1.72 0.00 0.00 179.24 178.66 2wro h LEU 88 N -0.83 0.09 -5.38 1.55 5.85 -1.45 -3.17 115.31 111.98 2wro h LEU 88 Ca -0.01 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 2wro h LEU 88 Cb 0.67 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.69 2wro h LEU 88 CO 0.01 0.05 2.04 0.00 -0.34 0.00 0.00 178.44 180.20 2wro n ALA 89 N -2.61 4.07 -0.03 1.25 0.00 -1.22 -3.60 120.51 118.38 2wro n ALA 89 Ca 0.10 -1.57 -0.04 0.00 0.00 0.00 0.00 53.44 51.92 2wro n ALA 89 Cb 0.54 -2.83 -0.02 0.00 0.00 0.00 0.00 19.45 17.14 2wro n ALA 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wro n ARG 90 N 4.09 0.13 0.00 0.00 0.63 -1.20 -4.96 116.66 115.36 2wro n ARG 90 Ca 0.35 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 2wro n ARG 90 Cb 0.16 -1.03 0.00 0.00 0.45 0.00 0.00 32.46 32.04 2wro n ARG 90 CO 0.00 0.00 0.00 1.97 -2.51 0.00 0.00 177.63 177.09 2wro n PHE 91 N -2.77 0.00 -4.00 -0.14 -1.74 -1.24 -5.18 117.46 102.40 2wro n PHE 91 Ca -0.10 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.79 2wro n PHE 91 Cb 0.60 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.60 2wro n PHE 91 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 2wro n GLU 92 N 0.00 0.20 0.00 3.97 2.13 -1.26 -5.06 120.64 120.63 2wro n GLU 92 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2wro n GLU 92 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2wro n GLU 92 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wro n GLY 93 N 0.50 -0.99 3.36 8.31 0.00 -1.26 -4.62 105.19 110.49 2wro n GLY 93 Ca 0.00 -1.45 -0.46 0.00 0.00 0.00 0.00 46.02 44.11 2wro n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wro s GLU 94 N 0.00 3.49 0.00 1.61 2.12 -1.26 -4.39 118.70 120.27 2wro s GLU 94 Ca 0.00 -2.13 -0.30 0.00 0.36 0.00 0.00 54.97 52.90 2wro s GLU 94 Cb 0.00 -4.50 -0.03 0.00 0.26 0.00 0.00 34.13 29.85 2wro s GLU 94 CO 0.00 -1.42 1.05 0.14 -0.54 0.00 0.00 175.26 174.49 2wro s VAL 95 N 1.09 4.62 0.29 3.70 -7.23 -1.18 -5.01 120.40 116.68 2wro s VAL 95 Ca 0.19 1.88 -0.09 0.00 -1.81 0.00 0.00 61.98 62.15 2wro s VAL 95 Cb -0.12 -4.21 0.00 0.00 0.56 0.00 0.00 36.38 32.61 2wro s VAL 95 CO -0.06 0.12 0.49 0.42 -0.31 0.00 0.00 175.10 175.76 2wro s THR 96 N 1.20 0.00 1.02 5.32 -4.23 -1.26 -3.32 115.64 114.37 2wro s THR 96 Ca 0.54 -1.47 -0.14 0.00 -1.18 0.00 0.00 61.69 59.43 2wro s THR 96 Cb -0.23 -2.44 0.20 0.00 1.34 0.00 0.00 72.50 71.37 2wro s THR 96 CO 0.27 0.00 1.14 -2.84 -0.54 0.00 0.00 174.62 172.64 2wro s PRO 97 N -3.51 0.26 0.00 3.99 0.02 -1.26 -0.18 135.00 134.32 2wro s PRO 97 Ca 0.26 0.19 0.00 0.00 0.02 0.00 0.00 61.00 61.47 2wro s PRO 97 Cb -0.01 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.77 2wro s PRO 97 CO 0.14 -2.77 0.00 -1.91 -0.33 0.00 0.00 177.00 172.12 2wro n GLU 98 N -4.15 0.00 0.06 5.54 4.07 -1.26 -4.11 120.64 120.80 2wro n GLU 98 Ca 0.09 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.98 2wro n GLU 98 Cb 0.59 -0.16 -0.14 0.00 -0.06 0.00 0.00 31.44 31.66 2wro n GLU 98 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2wro h LEU 99 N 0.00 0.54 -2.54 4.31 5.85 -1.83 -3.13 115.31 118.51 2wro h LEU 99 Ca 0.00 -0.93 0.01 0.00 0.84 0.00 0.00 57.88 57.81 2wro h LEU 99 Cb 0.00 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 2wro h LEU 99 CO 0.00 1.43 0.07 0.25 -0.34 0.00 0.00 178.44 179.85 2wro h LEU 100 N -0.25 0.00 -0.34 2.25 7.12 -0.72 0.53 115.31 123.90 2wro h LEU 100 Ca -0.15 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.81 2wro h LEU 100 Cb 1.69 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.81 2wro h LEU 100 CO 0.17 0.00 0.03 -0.37 -0.13 0.00 0.00 178.44 178.14 2wro h VAL 101 N 0.00 1.25 0.00 1.05 -1.51 -1.73 -0.07 116.25 115.24 2wro h VAL 101 Ca 0.02 -0.89 -0.19 0.00 -1.23 0.00 0.00 66.70 64.41 2wro h VAL 101 Cb 0.15 1.17 -0.06 0.00 -2.13 0.00 0.00 31.29 30.42 2wro h VAL 101 CO -0.00 0.29 -0.17 -1.14 -1.23 0.00 0.00 177.57 175.32 2wro n ARG 102 N -4.56 1.88 -0.65 5.19 0.63 0.19 -4.60 116.66 114.74 2wro n ARG 102 Ca -0.02 -0.95 0.00 0.00 -0.92 0.00 0.00 57.85 55.96 2wro n ARG 102 Cb 0.24 -1.98 0.00 0.00 0.45 0.00 0.00 32.46 31.17 2wro n ARG 102 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wro n ALA 103 N 2.58 0.00 -1.00 5.13 0.00 -0.04 -4.95 120.51 122.23 2wro n ALA 103 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2wro n ALA 103 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.27 2wro n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wro n GLY 104 N 0.00 -1.25 3.73 0.00 0.00 -1.22 -4.93 105.19 101.51 2wro n GLY 104 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2wro n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wro s LEU 105 N -0.33 2.64 0.00 0.99 1.02 -1.26 -4.72 118.68 117.02 2wro s LEU 105 Ca 0.00 1.71 0.00 0.00 0.02 0.00 0.00 54.13 55.86 2wro s LEU 105 Cb 0.00 -4.24 0.00 0.00 0.02 0.00 0.00 46.19 41.97 2wro s LEU 105 CO 0.00 -2.44 0.00 0.18 0.02 0.00 0.00 176.35 174.11 2wro n LEU 106 N -3.77 0.00 -2.92 1.79 4.32 -1.26 -4.28 117.00 110.87 2wro n LEU 106 Ca 0.08 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.07 2wro n LEU 106 Cb 0.54 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.33 2wro n LEU 106 CO 0.54 0.00 -0.47 2.29 -1.22 0.00 0.00 177.39 178.53 2wro n LYS 107 N 0.00 -2.21 -0.69 3.23 2.85 -1.26 -2.49 118.16 117.59 2wro n LYS 107 Ca 0.00 1.96 -0.02 0.00 -1.05 0.00 0.00 58.31 59.20 2wro n LYS 107 Cb 0.00 -3.24 -0.01 0.00 -0.65 0.00 0.00 35.03 31.13 2wro n LYS 107 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2wro n LYS 108 N 1.24 -1.55 -1.39 -1.58 4.01 -1.26 -4.73 118.16 112.90 2wro n LYS 108 Ca -0.05 0.21 -0.43 0.00 -0.51 0.00 0.00 58.31 57.53 2wro n LYS 108 Cb 0.27 -3.74 -0.04 0.00 -0.51 0.00 0.00 35.03 31.01 2wro n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wro n GLY 109 N 0.07 3.17 0.00 0.72 0.00 -1.04 -4.88 105.19 103.24 2wro n GLY 109 Ca -0.02 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2wro n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wro n TYR 110 N 7.18 0.00 -1.47 1.61 4.19 -1.23 -4.46 117.16 122.97 2wro n TYR 110 Ca 0.50 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.71 2wro n TYR 110 Cb 0.40 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.23 2wro n TYR 110 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2wro n ARG 111 N 0.00 0.65 -3.65 2.98 3.00 -0.95 -5.01 116.66 113.67 2wro n ARG 111 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 57.81 2wro n ARG 111 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 2wro n ARG 111 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2wro s LEU 112 N 0.00 -1.00 -0.17 0.55 1.98 -1.26 -4.15 118.68 114.63 2wro s LEU 112 Ca 0.00 1.41 -0.03 0.00 -2.89 0.00 0.00 54.13 52.62 2wro s LEU 112 Cb 0.00 2.03 -0.02 0.00 0.66 0.00 0.00 46.19 48.86 2wro s LEU 112 CO 0.00 -0.22 -0.06 -0.75 -1.89 0.00 0.00 176.35 173.43 2wro s LYS 113 N 2.79 3.50 -0.02 1.98 2.20 -0.89 -0.61 119.74 128.69 2wro s LYS 113 Ca -0.05 -0.60 -0.16 0.00 -0.36 0.00 0.00 55.97 54.81 2wro s LYS 113 Cb -0.12 -2.88 -0.06 0.00 -1.51 0.00 0.00 37.83 33.27 2wro s LYS 113 CO -0.17 0.08 0.43 -1.50 -0.36 0.00 0.00 175.35 173.83 2wro s ILE 114 N 0.74 5.04 0.00 5.43 1.10 0.46 -3.29 121.20 130.69 2wro s ILE 114 Ca -0.03 0.88 0.00 0.00 -0.51 0.00 0.00 60.65 60.99 2wro s ILE 114 Cb -0.15 -3.74 0.00 0.00 0.15 0.00 0.00 42.46 38.72 2wro s ILE 114 CO 0.02 0.53 0.00 0.00 -2.11 0.00 0.00 174.94 173.38 2wro n LEU 115 N 2.17 0.00 0.00 8.50 -0.00 -0.74 0.97 117.00 127.90 2wro n LEU 115 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.89 2wro n LEU 115 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 2wro n LEU 115 CO 0.39 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.39 2wro n GLY 116 N 0.00 1.49 3.91 1.47 0.00 -1.26 -1.58 105.19 109.23 2wro n GLY 116 Ca 0.00 -1.86 -0.27 0.00 0.00 0.00 0.00 46.02 43.88 2wro n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wro s GLU 117 N -2.80 2.59 0.00 1.61 2.02 -1.26 -4.63 118.70 116.22 2wro s GLU 117 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.03 2wro s GLU 117 Cb 0.00 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 32.08 2wro s GLU 117 CO 0.00 -1.03 0.00 0.41 0.02 0.00 0.00 175.26 174.66 2wro n GLY 118 N -2.86 2.77 3.59 -1.39 0.00 -1.26 -3.58 105.19 102.47 2wro n GLY 118 Ca 0.06 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 2wro n GLY 118 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wro n GLU 119 N 1.20 1.31 -3.82 1.61 -0.58 -1.26 -4.71 120.64 114.39 2wro n GLU 119 Ca 0.00 0.47 -0.37 0.00 -0.42 0.00 0.00 57.16 56.84 2wro n GLU 119 Cb 0.00 -1.95 -0.06 0.00 -0.57 0.00 0.00 31.44 28.86 2wro n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wro s ALA 120 N -1.23 3.83 -0.27 0.62 0.00 -1.26 -4.70 121.76 118.75 2wro s ALA 120 Ca 0.62 -0.61 -0.14 0.00 0.00 0.00 0.00 51.96 51.83 2wro s ALA 120 Cb -0.60 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 2wro s ALA 120 CO 0.58 0.53 0.31 0.15 0.00 0.00 0.00 175.76 177.33 2wro s LYS 121 N -0.80 4.01 0.00 0.00 1.02 -1.26 -4.95 119.74 117.76 2wro s LYS 121 Ca 0.15 -0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.07 2wro s LYS 121 Cb -0.12 -3.65 0.00 0.00 -0.52 0.00 0.00 37.83 33.54 2wro s LYS 121 CO 0.04 -0.22 0.00 -2.30 -0.92 0.00 0.00 175.35 171.95 2wro n PRO 122 N 5.16 0.00 -4.05 -1.68 -0.02 -1.25 -4.82 135.00 128.35 2wro n PRO 122 Ca -0.10 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.05 2wro n PRO 122 Cb 0.51 -0.57 -0.06 0.00 -0.02 0.00 0.00 33.50 33.36 2wro n PRO 122 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2wro s LEU 123 N 0.00 4.00 0.36 2.45 2.34 -1.26 -3.33 118.68 123.24 2wro s LEU 123 Ca 0.00 0.18 -0.26 0.00 0.06 0.00 0.00 54.13 54.11 2wro s LEU 123 Cb 0.00 -2.38 -0.12 0.00 -0.56 0.00 0.00 46.19 43.13 2wro s LEU 123 CO 0.00 0.26 0.97 0.29 -1.06 0.00 0.00 176.35 176.81 2wro n LYS 124 N 1.05 1.29 -3.01 1.48 4.76 -1.20 -4.11 118.16 118.42 2wro n LYS 124 Ca -0.12 0.46 -0.05 0.00 -2.87 0.00 0.00 58.31 55.73 2wro n LYS 124 Cb 0.53 -1.91 -0.01 0.00 -1.84 0.00 0.00 35.03 31.80 2wro n LYS 124 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wro s VAL 125 N -1.20 -0.84 0.50 -0.18 0.11 -1.26 -3.07 120.40 114.46 2wro s VAL 125 Ca 0.61 -0.79 -0.22 0.00 -2.93 0.00 0.00 61.98 58.66 2wro s VAL 125 Cb -0.63 -0.15 -0.06 0.00 -1.53 0.00 0.00 36.38 34.01 2wro s VAL 125 CO 0.59 -0.14 1.20 -0.69 -3.33 0.00 0.00 175.10 172.72 2wro s VAL 126 N 1.19 2.89 0.00 2.04 1.01 -1.21 -4.40 120.40 121.91 2wro s VAL 126 Ca 0.24 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.86 2wro s VAL 126 Cb -0.02 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2wro s VAL 126 CO -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 175.10 174.99 2wro n ALA 127 N -0.84 0.00 0.00 5.51 0.00 -1.18 -4.08 120.51 119.93 2wro n ALA 127 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2wro n ALA 127 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2wro n ALA 127 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wro n HIS 128 N 0.00 0.00 -3.71 0.00 8.25 0.22 -4.66 115.22 115.32 2wro n HIS 128 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 2wro n HIS 128 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 2wro n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wro s ALA 129 N -1.90 -1.00 -0.14 -1.41 0.00 -1.11 -4.52 121.76 111.68 2wro s ALA 129 Ca 0.00 1.40 -0.04 0.00 0.00 0.00 0.00 51.96 53.32 2wro s ALA 129 Cb 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 2wro s ALA 129 CO 0.00 -0.24 -0.00 -0.06 0.00 0.00 0.00 175.76 175.45 2wro s PHE 130 N 1.15 3.12 0.22 0.00 2.99 -1.26 0.18 117.98 124.37 2wro s PHE 130 Ca -0.08 -0.07 -0.31 0.00 0.00 0.00 0.00 56.93 56.48 2wro s PHE 130 Cb -0.07 -1.94 -0.10 0.00 0.00 0.00 0.00 43.02 40.90 2wro s PHE 130 CO -0.10 0.15 1.54 -1.54 -0.00 0.00 0.00 175.22 175.28 2wro s SER 131 N 0.02 6.55 0.03 1.36 1.04 0.27 -4.76 113.70 118.21 2wro s SER 131 Ca 0.02 2.72 -0.06 0.00 0.48 0.00 0.00 55.95 59.11 2wro s SER 131 Cb -0.13 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.37 2wro s SER 131 CO 0.02 -0.81 0.82 0.29 0.98 0.00 0.00 173.24 174.54 2wro n LYS 132 N 3.10 -0.08 -0.20 4.02 5.02 -1.26 -0.18 118.16 128.58 2wro n LYS 132 Ca 0.11 0.82 0.01 0.00 -2.02 0.00 0.00 58.31 57.22 2wro n LYS 132 Cb 0.39 -1.22 0.11 0.00 -0.02 0.00 0.00 35.03 34.29 2wro n LYS 132 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wro h SER 133 N 0.00 -0.10 0.44 4.39 0.87 -1.99 -1.80 113.55 115.36 2wro h SER 133 Ca 0.03 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2wro h SER 133 Cb 0.07 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2wro h SER 133 CO -0.17 -0.04 0.00 0.00 -0.53 0.00 0.00 176.83 176.09 2wro n ALA 134 N -2.67 2.19 0.55 6.23 0.00 0.75 -2.83 120.51 124.74 2wro n ALA 134 Ca 0.09 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.55 2wro n ALA 134 Cb 0.34 -1.38 0.41 0.00 0.00 0.00 0.00 19.45 18.82 2wro n ALA 134 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wro h LEU 135 N 0.00 0.00 -1.90 0.00 7.12 0.29 -2.96 115.31 117.86 2wro h LEU 135 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2wro h LEU 135 Cb 0.22 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.35 2wro h LEU 135 CO 0.00 0.00 0.00 -0.62 -0.13 0.00 0.00 178.44 177.69 2wro n GLU 136 N -2.33 2.25 0.06 1.25 -0.58 -1.13 -3.27 120.64 116.90 2wro n GLU 136 Ca 0.05 -1.88 0.11 0.00 -0.42 0.00 0.00 57.16 55.02 2wro n GLU 136 Cb 0.40 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 2wro n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wro n LYS 137 N 1.11 0.49 0.00 3.49 5.02 -1.12 -3.26 118.16 123.89 2wro n LYS 137 Ca 0.18 0.04 0.10 0.00 -2.02 0.00 0.00 58.31 56.61 2wro n LYS 137 Cb 0.52 -1.70 0.06 0.00 -0.02 0.00 0.00 35.03 33.88 2wro n LYS 137 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wro n LEU 138 N -2.36 2.50 0.02 -0.35 4.32 -1.23 -3.80 117.00 116.11 2wro n LEU 138 Ca 0.00 -0.93 -0.06 0.00 -0.02 0.00 0.00 56.01 55.01 2wro n LEU 138 Cb 0.51 0.00 0.13 0.00 -1.62 0.00 0.00 43.42 42.44 2wro n LEU 138 CO 0.40 0.44 0.59 0.50 -1.22 0.00 0.00 177.39 178.10 2wro h LYS 139 N 3.57 0.47 -2.27 3.23 3.64 -1.53 -2.85 116.57 120.83 2wro h LYS 139 Ca 0.00 -0.24 -0.50 0.00 -1.27 0.00 0.00 60.65 58.63 2wro h LYS 139 Cb 0.82 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.54 2wro h LYS 139 CO 0.00 0.81 1.11 0.00 -2.27 0.00 0.00 179.45 179.10 2wro n ALA 140 N -2.50 6.67 0.00 5.00 0.00 -1.25 -4.86 120.51 123.57 2wro n ALA 140 Ca -0.02 -3.06 0.00 0.00 0.00 0.00 0.00 53.44 50.37 2wro n ALA 140 Cb 0.52 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.48 2wro n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wro n ALA 141 N 1.80 -1.11 0.00 0.00 0.00 -1.08 -4.62 120.51 115.51 2wro n ALA 141 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2wro n ALA 141 Cb 0.53 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.63 2wro n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wro n GLY 142 N -0.07 -0.70 0.00 0.00 0.00 -1.21 -3.88 105.19 99.33 2wro n GLY 142 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2wro n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wro n GLY 143 N 0.00 2.03 2.58 -0.02 0.00 -1.26 -3.24 105.19 105.28 2wro n GLY 143 Ca 0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 2wro n GLY 143 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wro n GLU 144 N -0.41 2.35 -2.71 1.61 0.00 -1.26 -4.43 120.64 115.79 2wro n GLU 144 Ca 0.00 -4.35 -0.43 0.00 0.00 0.00 0.00 57.16 52.38 2wro n GLU 144 Cb 0.00 -2.03 -0.03 0.00 0.00 0.00 0.00 31.44 29.38 2wro n GLU 144 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.13 174.99 2wro s PRO 145 N -2.78 4.03 0.00 5.31 0.02 -1.26 -5.01 135.00 135.31 2wro s PRO 145 Ca 0.43 0.94 0.00 0.00 0.02 0.00 0.00 61.00 62.40 2wro s PRO 145 Cb 0.25 -3.74 0.00 0.00 0.02 0.00 0.00 34.50 31.03 2wro s PRO 145 CO -0.09 -0.87 0.00 1.55 -0.33 0.00 0.00 177.00 177.26 2wro n VAL 146 N 5.82 0.00 0.00 3.83 3.14 -1.26 -3.09 118.33 126.77 2wro n VAL 146 Ca 0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 2wro n VAL 146 Cb 0.47 -0.01 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 2wro n VAL 146 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2wro n LEU 147 N 0.00 0.00 0.00 6.55 7.94 -1.26 -4.86 117.00 125.37 2wro n LEU 147 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wro n LEU 147 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2wro n LEU 147 CO 0.00 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.46 2wro n LEU 148 N 0.00 0.00 -0.85 -1.96 4.77 -1.26 -4.72 117.00 112.98 2wro n LEU 148 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2wro n LEU 148 Cb 0.00 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2wro n LEU 148 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 2wro n GLU 149 N -1.25 0.00 0.00 3.23 -0.58 -1.26 -5.14 120.64 115.65 2wro n GLU 149 Ca 0.00 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 2wro n GLU 149 Cb 0.00 -0.85 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 2wro n GLU 149 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65