#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj n LEU 6 N 0.00 -1.05 0.05 -2.67 7.94 -1.26 -4.99 117.00 115.02 2wrj n LEU 6 Ca 0.00 -0.56 -0.03 0.00 -1.11 0.00 0.00 56.01 54.31 2wrj n LEU 6 Cb 0.00 -0.97 -0.01 0.00 0.53 0.00 0.00 43.42 42.97 2wrj n LEU 6 CO 0.00 -3.89 0.14 -0.09 -1.11 0.00 0.00 177.39 172.43 2wrj h ARG 7 N -3.09 -0.18 -2.40 1.96 9.65 -2.12 -3.36 114.38 114.84 2wrj h ARG 7 Ca -0.40 0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 58.39 2wrj h ARG 7 Cb 1.17 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.75 2wrj h ARG 7 CO 0.27 -0.12 -0.01 -2.30 2.80 0.00 0.00 179.97 180.61 2wrj n PRO 8 N -3.57 1.10 -0.01 0.20 -0.02 -1.26 -3.75 135.00 127.69 2wrj n PRO 8 Ca -0.02 -0.53 0.02 0.00 -2.02 0.00 0.00 63.50 60.94 2wrj n PRO 8 Cb 0.07 -1.75 -0.05 0.00 -0.02 0.00 0.00 33.50 31.76 2wrj n PRO 8 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wrj n ASN 9 N 2.65 3.53 -1.63 2.55 3.02 -1.26 -5.04 115.26 119.08 2wrj n ASN 9 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 2wrj n ASN 9 Cb 0.51 1.14 0.00 0.00 -0.61 0.00 0.00 39.78 40.82 2wrj n ASN 9 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2wrj n PRO 10 N -1.84 1.26 0.00 3.52 -0.04 -1.25 -5.04 135.00 131.61 2wrj n PRO 10 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2wrj n PRO 10 Cb 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 2wrj n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wrj n GLY 11 N 5.00 0.77 2.19 0.55 0.00 -1.26 -5.03 105.19 107.41 2wrj n GLY 11 Ca 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 46.02 45.39 2wrj n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrj n ALA 12 N 0.00 -1.03 -1.36 4.61 0.00 -1.26 -4.66 120.51 116.80 2wrj n ALA 12 Ca 0.00 0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 2wrj n ALA 12 Cb 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 2wrj n ALA 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2wrj n ASN 13 N 2.09 5.21 0.00 0.00 2.04 -1.26 -4.76 115.26 118.57 2wrj n ASN 13 Ca -0.00 -2.66 0.00 0.00 -0.44 0.00 0.00 54.58 51.48 2wrj n ASN 13 Cb 0.00 -1.45 0.00 0.00 -2.53 0.00 0.00 39.78 35.80 2wrj n ASN 13 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2wrj n LYS 14 N 5.25 0.00 -1.94 -3.83 5.02 -1.26 -4.97 118.16 116.44 2wrj n LYS 14 Ca 0.58 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.58 2wrj n LYS 14 Cb 0.31 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.27 2wrj n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wrj s ARG 15 N 0.00 2.40 0.00 1.97 3.00 -1.26 -4.37 118.95 120.69 2wrj s ARG 15 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 55.73 55.95 2wrj s ARG 15 Cb 0.00 -4.79 0.00 0.00 0.00 0.00 0.00 34.95 30.16 2wrj s ARG 15 CO 0.00 -3.34 0.00 2.89 0.00 0.00 0.00 175.30 174.85 2wrj n ARG 16 N 8.96 2.26 -1.40 3.54 -4.01 -1.26 -5.02 116.66 119.73 2wrj n ARG 16 Ca 0.35 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.16 2wrj n ARG 16 Cb 0.48 -0.83 0.00 0.00 -3.04 0.00 0.00 32.46 29.07 2wrj n ARG 16 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 2wrj n LYS 17 N -1.20 -0.76 0.21 2.89 4.81 -1.26 -4.63 118.16 118.21 2wrj n LYS 17 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.51 2wrj n LYS 17 Cb 0.13 0.00 0.39 0.00 0.02 0.00 0.00 35.03 35.57 2wrj n LYS 17 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2wrj h ARG 18 N 0.25 0.00 -5.96 1.64 1.12 -1.96 -3.41 114.38 106.06 2wrj h ARG 18 Ca 0.00 0.00 -0.60 0.00 -1.11 0.00 0.00 59.98 58.27 2wrj h ARG 18 Cb 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 29.96 2wrj h ARG 18 CO 0.00 0.00 1.49 1.33 -3.11 0.00 0.00 179.97 179.68 2wrj n VAL 19 N -2.21 0.30 -2.43 0.20 0.24 -1.26 -4.97 118.33 108.20 2wrj n VAL 19 Ca -0.01 -0.45 -0.24 0.00 -2.04 0.00 0.00 64.34 61.60 2wrj n VAL 19 Cb 0.42 -2.44 0.05 0.00 -1.47 0.00 0.00 33.84 30.40 2wrj n VAL 19 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2wrj s GLY 20 N 8.39 1.75 -0.38 7.63 0.00 -1.26 -5.02 107.32 118.43 2wrj s GLY 20 Ca 1.02 -1.10 -0.28 0.00 0.00 0.00 0.00 44.72 44.36 2wrj s GLY 20 CO 0.37 -0.76 1.03 -1.60 0.00 0.00 0.00 173.10 172.13 2wrj s ARG 21 N -5.00 3.88 -0.10 2.90 3.52 -1.26 -5.02 118.95 117.87 2wrj s ARG 21 Ca 0.58 0.73 -0.15 0.00 -0.13 0.00 0.00 55.73 56.76 2wrj s ARG 21 Cb -0.11 -3.81 -0.05 0.00 -1.56 0.00 0.00 34.95 29.43 2wrj s ARG 21 CO 0.42 -1.04 0.38 0.20 -0.81 0.00 0.00 175.30 174.45 2wrj s GLY 22 N 1.95 2.35 -0.24 8.12 0.00 -1.26 -5.02 107.32 113.21 2wrj s GLY 22 Ca 0.43 -0.30 0.12 0.00 0.00 0.00 0.00 44.72 44.97 2wrj s GLY 22 CO 0.21 0.44 1.43 -1.55 0.00 0.00 0.00 173.10 173.63 2wrj n PRO 23 N 3.07 2.16 -3.80 2.90 -0.05 -1.26 -4.49 135.00 133.53 2wrj n PRO 23 Ca -0.11 -3.03 -0.35 0.00 -0.05 0.00 0.00 63.50 59.96 2wrj n PRO 23 Cb 0.52 -1.81 -0.11 0.00 -0.05 0.00 0.00 33.50 32.05 2wrj n PRO 23 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 2wrj s GLY 24 N -2.36 2.21 -0.19 0.55 0.00 -1.24 -4.12 107.32 102.18 2wrj s GLY 24 Ca 0.43 -2.87 -0.33 0.00 0.00 0.00 0.00 44.72 41.95 2wrj s GLY 24 CO 0.03 1.04 1.19 -1.35 0.00 0.00 0.00 173.10 174.01 2wrj s SER 25 N 1.11 -0.16 0.55 1.64 1.04 -1.26 -5.00 113.70 111.62 2wrj s SER 25 Ca 0.12 0.05 0.31 0.00 0.48 0.00 0.00 55.95 56.91 2wrj s SER 25 Cb -0.22 0.16 1.57 0.00 0.10 0.00 0.00 66.02 67.63 2wrj s SER 25 CO -0.04 -0.24 2.10 1.23 0.98 0.00 0.00 173.24 177.27 2wrj h GLY 26 N 2.07 0.00 -6.20 7.32 0.00 -1.96 -3.38 103.07 100.91 2wrj h GLY 26 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.82 2wrj h GLY 26 CO 0.24 0.00 -0.77 -1.58 0.00 0.00 0.00 176.54 174.43 2wrj s HIS 27 N -4.10 0.70 0.00 5.60 5.65 -1.26 -4.90 115.29 116.98 2wrj s HIS 27 Ca -0.02 -0.18 0.00 0.00 0.25 0.00 0.00 55.06 55.10 2wrj s HIS 27 Cb 0.12 -0.63 0.00 0.00 -1.18 0.00 0.00 32.58 30.89 2wrj s HIS 27 CO 0.55 -0.18 0.00 0.41 -0.65 0.00 0.00 174.74 174.88 2wrj n GLY 28 N 4.00 1.08 3.11 1.59 0.00 -1.26 -4.91 105.19 108.80 2wrj n GLY 28 Ca -0.26 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 2wrj n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj s LYS 29 N 0.00 1.94 0.52 1.61 3.01 -1.26 -4.94 119.74 120.62 2wrj s LYS 29 Ca 0.00 -1.80 0.03 0.00 -1.01 0.00 0.00 55.97 53.19 2wrj s LYS 29 Cb 0.00 -3.51 0.03 0.00 -1.01 0.00 0.00 37.83 33.35 2wrj s LYS 29 CO 0.00 -1.03 0.26 2.41 0.51 0.00 0.00 175.35 177.50 2wrj n THR 30 N 4.54 0.00 0.00 2.17 -1.04 -1.26 -3.65 114.28 115.04 2wrj n THR 30 Ca -0.02 -2.19 0.00 0.00 -2.04 0.00 0.00 64.05 59.80 2wrj n THR 30 Cb 0.42 0.14 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 2wrj n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wrj n ALA 31 N -1.73 0.00 0.06 2.41 0.00 -1.26 0.44 120.51 120.42 2wrj n ALA 31 Ca -0.18 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.47 2wrj n ALA 31 Cb 0.61 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.75 2wrj n ALA 31 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2wrj h THR 32 N 0.00 0.26 -1.54 0.00 1.35 -1.94 -3.47 112.91 107.57 2wrj h THR 32 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2wrj h THR 32 Cb 0.00 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 66.94 2wrj h THR 32 CO 0.00 0.00 -0.36 -1.14 -0.25 0.00 0.00 175.52 173.77 2wrj n ARG 33 N -3.53 -1.95 0.00 4.72 3.00 1.52 -4.58 116.66 115.84 2wrj n ARG 33 Ca 0.09 1.42 0.00 0.00 -0.00 0.00 0.00 57.85 59.36 2wrj n ARG 33 Cb 0.78 -1.57 0.00 0.00 0.00 0.00 0.00 32.46 31.67 2wrj n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wrj n GLY 34 N -0.31 0.00 0.25 5.14 0.00 -1.26 -4.23 105.19 104.78 2wrj n GLY 34 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2wrj n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wrj n HIS 35 N 0.00 -0.64 -4.32 1.61 8.25 -1.26 -5.03 115.22 113.83 2wrj n HIS 35 Ca 0.00 0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 2wrj n HIS 35 Cb 0.00 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 30.53 2wrj n HIS 35 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2wrj n LYS 36 N -1.83 0.00 0.00 -0.41 5.02 -1.26 -4.85 118.16 114.83 2wrj n LYS 36 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wrj n LYS 36 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 2wrj n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrj n GLY 37 N 0.00 1.00 0.00 0.72 0.00 -1.26 -5.03 105.19 100.63 2wrj n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wrj n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrj n GLN 38 N -1.38 0.00 0.00 1.61 10.64 -1.26 -5.11 117.38 121.88 2wrj n GLN 38 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2wrj n GLN 38 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2wrj n GLN 38 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2wrj n LYS 39 N 0.00 0.00 -2.13 2.61 4.76 -1.26 -4.98 118.16 117.16 2wrj n LYS 39 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 2wrj n LYS 39 Cb 0.00 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wrj n LYS 39 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wrj n SER 40 N 0.00 -2.05 -3.34 4.39 2.88 -1.26 -4.95 113.62 109.29 2wrj n SER 40 Ca 0.00 -0.01 -0.26 0.00 -1.33 0.00 0.00 58.87 57.27 2wrj n SER 40 Cb 0.00 -1.38 -0.09 0.00 -0.75 0.00 0.00 64.21 61.98 2wrj n SER 40 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2wrj n ARG 41 N -1.40 0.27 0.00 -1.46 5.12 -1.26 -4.61 116.66 113.31 2wrj n ARG 41 Ca -0.05 -3.14 0.00 0.00 -1.93 0.00 0.00 57.85 52.74 2wrj n ARG 41 Cb 0.54 -1.60 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 2wrj n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2wrj n SER 42 N 2.63 0.00 0.00 0.55 3.41 -1.26 -4.94 113.62 114.01 2wrj n SER 42 Ca 0.28 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2wrj n SER 42 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 2wrj n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wrj n GLY 43 N 0.00 0.00 0.00 5.00 0.00 -1.26 -5.14 105.19 103.78 2wrj n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wrj n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrj n GLY 44 N 0.00 4.16 0.00 -0.02 0.00 -1.26 -5.15 105.19 102.92 2wrj n GLY 44 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2wrj n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wrj n LEU 45 N 0.00 0.00 -0.13 0.99 7.94 -1.26 -4.83 117.00 119.71 2wrj n LEU 45 Ca 0.00 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.63 2wrj n LEU 45 Cb 0.00 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 43.84 2wrj n LEU 45 CO 0.00 0.00 -1.36 1.17 -1.11 0.00 0.00 177.39 176.09 2wrj n LYS 46 N 0.00 0.61 0.00 1.96 3.00 -1.26 -5.07 118.16 117.40 2wrj n LYS 46 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.56 2wrj n LYS 46 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 35.03 33.51 2wrj n LYS 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2wrj n ASP 47 N -4.01 0.00 0.00 3.14 -0.08 -1.26 -4.99 116.55 109.35 2wrj n ASP 47 Ca -0.51 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.77 2wrj n ASP 47 Cb 0.90 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.36 2wrj n ASP 47 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2wrj n PRO 48 N -0.37 0.00 0.00 -0.67 -0.02 -1.26 -5.04 135.00 127.64 2wrj n PRO 48 Ca 0.00 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2wrj n PRO 48 Cb 0.00 -0.35 0.00 0.00 -0.02 0.00 0.00 33.50 33.13 2wrj n PRO 48 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wrj n ARG 49 N -1.82 0.00 0.08 -0.52 1.74 -1.26 0.13 116.66 115.01 2wrj n ARG 49 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 2wrj n ARG 49 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.30 2wrj n ARG 49 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 2wrj h ARG 50 N 0.00 0.30 0.00 5.56 0.11 -2.00 -3.49 114.38 114.86 2wrj h ARG 50 Ca 0.00 -0.51 -0.21 0.00 0.10 0.00 0.00 59.98 59.36 2wrj h ARG 50 Cb 0.00 0.19 0.10 0.00 1.11 0.00 0.00 29.97 31.37 2wrj h ARG 50 CO 0.00 1.18 0.12 1.19 0.10 0.00 0.00 179.97 182.56 2wrj n PHE 51 N -3.50 -3.67 -0.15 4.08 3.72 0.35 -4.76 117.46 113.52 2wrj n PHE 51 Ca -0.17 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.69 2wrj n PHE 51 Cb 1.05 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2wrj n PHE 51 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2wrj n GLU 52 N -2.90 0.00 0.00 -1.08 -0.58 -1.26 -4.93 120.64 109.89 2wrj n GLU 52 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 2wrj n GLU 52 Cb 0.30 -0.15 0.00 0.00 -0.57 0.00 0.00 31.44 31.01 2wrj n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wrj n GLY 53 N -0.72 3.89 0.03 0.62 0.00 -1.26 -4.59 105.19 103.16 2wrj n GLY 53 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2wrj n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrj n GLY 54 N 0.00 0.90 1.05 -0.02 0.00 -1.26 -5.08 105.19 100.79 2wrj n GLY 54 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2wrj n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wrj n ARG 55 N -2.01 1.15 -1.08 1.61 0.63 -1.26 -5.00 116.66 110.69 2wrj n ARG 55 Ca 0.00 -0.91 -0.33 0.00 -0.92 0.00 0.00 57.85 55.69 2wrj n ARG 55 Cb 0.00 0.05 -0.03 0.00 0.45 0.00 0.00 32.46 32.93 2wrj n ARG 55 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2wrj n SER 56 N -2.24 5.35 0.00 6.15 7.64 -1.26 -4.88 113.62 124.37 2wrj n SER 56 Ca 0.01 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.38 2wrj n SER 56 Cb 0.17 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 2wrj n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2wrj n THR 57 N 4.48 0.00 0.00 0.44 -2.24 -1.26 -3.07 114.28 112.62 2wrj n THR 57 Ca 0.55 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.33 2wrj n THR 57 Cb 0.24 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 2wrj n THR 57 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2wrj n THR 58 N 0.00 0.00 0.01 4.28 -1.04 -1.26 -4.97 114.28 111.30 2wrj n THR 58 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 2wrj n THR 58 Cb 0.00 0.00 0.17 0.00 -1.82 0.00 0.00 70.33 68.68 2wrj n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2wrj n LEU 59 N 0.00 3.82 -1.04 -4.42 0.00 -1.18 -3.89 117.00 110.30 2wrj n LEU 59 Ca 0.00 -1.96 0.07 0.00 0.00 0.00 0.00 56.01 54.11 2wrj n LEU 59 Cb 0.00 -0.62 0.23 0.00 0.00 0.00 0.00 43.42 43.03 2wrj n LEU 59 CO 0.00 0.54 0.67 1.15 0.00 0.00 0.00 177.39 179.75 2wrj n MET 60 N 0.12 2.55 -3.30 1.96 0.00 -1.26 -4.83 117.12 112.36 2wrj n MET 60 Ca 0.19 -1.80 -0.40 0.00 0.00 0.00 0.00 57.70 55.68 2wrj n MET 60 Cb 0.83 -1.57 -0.08 0.00 0.00 0.00 0.00 33.22 32.40 2wrj n MET 60 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 2wrj s ARG 61 N -1.62 3.83 0.39 3.17 1.04 -1.25 -5.04 118.95 119.47 2wrj s ARG 61 Ca 0.33 -0.02 -0.27 0.00 -1.04 0.00 0.00 55.73 54.72 2wrj s ARG 61 Cb 0.20 -3.73 -0.11 0.00 -2.04 0.00 0.00 34.95 29.27 2wrj s ARG 61 CO 0.18 -0.45 1.43 1.47 -0.04 0.00 0.00 175.30 177.88 2wrj n LEU 62 N 5.53 4.57 -4.46 -1.89 -0.00 -1.26 -4.94 117.00 114.54 2wrj n LEU 62 Ca -0.06 1.20 -0.43 0.00 -0.00 0.00 0.00 56.01 56.71 2wrj n LEU 62 Cb 0.50 -1.58 -0.03 0.00 -0.00 0.00 0.00 43.42 42.30 2wrj n LEU 62 CO 0.41 -0.08 1.01 -2.16 -0.00 0.00 0.00 177.39 176.57 2wrj s PRO 63 N -2.14 3.54 0.00 1.47 0.04 -1.26 -4.76 135.00 131.90 2wrj s PRO 63 Ca 0.56 -1.59 0.30 0.00 0.04 0.00 0.00 61.00 60.31 2wrj s PRO 63 Cb -0.49 -4.89 1.50 0.00 0.04 0.00 0.00 34.50 30.66 2wrj s PRO 63 CO 0.62 -1.83 2.05 1.17 0.04 0.00 0.00 177.00 179.05 2wrj n LYS 64 N 6.93 0.39 -0.75 4.56 0.00 -1.26 -3.84 118.16 124.19 2wrj n LYS 64 Ca 0.22 -0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.41 2wrj n LYS 64 Cb 0.49 -1.50 -0.10 0.00 0.00 0.00 0.00 35.03 33.92 2wrj n LYS 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2wrj n ARG 65 N -1.30 1.65 -1.60 1.64 0.63 -1.26 -4.85 116.66 111.56 2wrj n ARG 65 Ca 0.14 -0.89 -0.37 0.00 -0.92 0.00 0.00 57.85 55.80 2wrj n ARG 65 Cb 0.25 -1.99 0.06 0.00 0.45 0.00 0.00 32.46 31.23 2wrj n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wrj n GLY 66 N 2.84 -0.23 1.28 5.14 0.00 -1.25 -4.50 105.19 108.47 2wrj n GLY 66 Ca 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2wrj n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2wrj n MET 67 N -1.29 0.00 -2.71 1.61 0.00 -1.26 -5.06 117.12 108.41 2wrj n MET 67 Ca 0.14 0.44 -0.05 0.00 -0.00 0.00 0.00 57.70 58.23 2wrj n MET 67 Cb 0.48 -0.84 0.07 0.00 0.00 0.00 0.00 33.22 32.93 2wrj n MET 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2wrj n GLN 68 N 0.14 1.33 0.00 2.12 6.02 -1.26 -5.12 117.38 120.61 2wrj n GLN 68 Ca 0.00 -2.72 0.00 0.00 -0.01 0.00 0.00 57.00 54.27 2wrj n GLN 68 Cb 0.00 -0.84 0.00 0.00 1.02 0.00 0.00 30.24 30.42 2wrj n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wrj n GLY 69 N -0.52 -3.01 0.00 1.08 0.00 -1.26 -5.06 105.19 96.42 2wrj n GLY 69 Ca 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2wrj n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wrj n GLN 70 N -0.54 2.64 -0.08 1.61 -0.06 -1.26 -5.00 117.38 114.69 2wrj n GLN 70 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.90 2wrj n GLN 70 Cb 0.00 0.00 -0.15 0.00 -4.06 0.00 0.00 30.24 26.03 2wrj n GLN 70 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 2wrj n VAL 71 N 0.00 1.47 0.00 1.69 3.14 -1.26 -4.16 118.33 119.21 2wrj n VAL 71 Ca 0.00 -0.82 0.18 0.00 -2.96 0.00 0.00 64.34 60.74 2wrj n VAL 71 Cb 0.00 -0.72 0.65 0.00 -1.06 0.00 0.00 33.84 32.71 2wrj n VAL 71 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 2wrj h PRO 72 N 0.00 0.08 0.00 1.45 0.11 -2.04 -3.47 132.00 128.13 2wrj h PRO 72 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wrj h PRO 72 Cb 2.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 33.25 2wrj h PRO 72 CO 0.04 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 178.29 2wrj n GLY 73 N -1.61 0.65 3.78 -0.55 0.00 -1.26 -5.06 105.19 101.14 2wrj n GLY 73 Ca 0.09 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 2wrj n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wrj s GLU 74 N -1.41 4.39 -0.17 1.61 2.12 -1.26 -4.20 118.70 119.78 2wrj s GLU 74 Ca 0.00 0.93 -0.29 0.00 0.36 0.00 0.00 54.97 55.97 2wrj s GLU 74 Cb 0.00 -3.29 -0.01 0.00 0.26 0.00 0.00 34.13 31.10 2wrj s GLU 74 CO 0.00 0.51 1.12 0.42 -0.54 0.00 0.00 175.26 176.76 2wrj s ILE 75 N -0.77 4.53 0.01 -3.70 1.09 -1.26 -4.99 121.20 116.12 2wrj s ILE 75 Ca 0.33 1.84 -0.30 0.00 -1.10 0.00 0.00 60.65 61.42 2wrj s ILE 75 Cb -0.21 -4.19 -0.05 0.00 -1.06 0.00 0.00 42.46 36.96 2wrj s ILE 75 CO 0.22 -0.12 1.24 -0.75 -0.10 0.00 0.00 174.94 175.43 2wrj s LYS 76 N 2.98 4.37 0.35 2.79 2.47 -1.26 -5.00 119.74 126.44 2wrj s LYS 76 Ca 0.49 1.78 -0.05 0.00 -1.56 0.00 0.00 55.97 56.64 2wrj s LYS 76 Cb -0.19 -3.45 0.01 0.00 -1.46 0.00 0.00 37.83 32.74 2wrj s LYS 76 CO 0.12 -0.39 0.52 -0.98 0.16 0.00 0.00 175.35 174.79 2wrj s ARG 77 N 1.69 1.95 -0.31 4.03 1.70 -1.26 -5.13 118.95 121.63 2wrj s ARG 77 Ca 0.59 -1.70 -0.29 0.00 -0.47 0.00 0.00 55.73 53.86 2wrj s ARG 77 Cb -0.28 0.47 0.01 0.00 -0.57 0.00 0.00 34.95 34.58 2wrj s ARG 77 CO 0.26 -0.83 1.15 -1.25 -1.08 0.00 0.00 175.30 173.55 2wrj s PRO 78 N -2.97 4.03 0.68 3.89 0.04 -1.26 -5.03 135.00 134.38 2wrj s PRO 78 Ca 0.28 1.14 -0.03 0.00 0.04 0.00 0.00 61.00 62.43 2wrj s PRO 78 Cb -0.01 -3.78 0.09 0.00 0.04 0.00 0.00 34.50 30.84 2wrj s PRO 78 CO 0.19 -0.96 0.96 -0.98 0.04 0.00 0.00 177.00 176.24 2wrj s ARG 79 N 3.80 2.00 0.00 4.56 1.70 -1.26 -5.03 118.95 124.71 2wrj s ARG 79 Ca 0.49 -0.74 0.00 0.00 -0.47 0.00 0.00 55.73 55.00 2wrj s ARG 79 Cb -0.14 -2.30 0.00 0.00 -0.57 0.00 0.00 34.95 31.94 2wrj s ARG 79 CO 0.18 -1.24 0.00 0.66 -1.08 0.00 0.00 175.30 173.82 2wrj n TYR 80 N -2.77 0.00 -3.15 5.89 4.01 -1.26 -3.49 117.16 116.38 2wrj n TYR 80 Ca 0.11 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.91 2wrj n TYR 80 Cb 0.60 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.63 2wrj n TYR 80 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 2wrj s GLN 81 N -0.04 0.08 1.04 -0.72 2.00 -1.25 -4.79 119.66 115.98 2wrj s GLN 81 Ca 0.00 0.09 -0.12 0.00 -2.00 0.00 0.00 55.36 53.33 2wrj s GLN 81 Cb 0.00 0.04 0.21 0.00 0.80 0.00 0.00 33.01 34.07 2wrj s GLN 81 CO 0.00 -0.15 1.07 0.20 -0.50 0.00 0.00 175.29 175.91 2wrj s GLY 82 N 2.98 1.59 -0.30 2.59 0.00 -1.26 -2.69 107.32 110.22 2wrj s GLY 82 Ca 0.25 -0.03 -0.12 0.00 0.00 0.00 0.00 44.72 44.82 2wrj s GLY 82 CO -0.21 0.57 0.93 0.54 0.00 0.00 0.00 173.10 174.93 2wrj s VAL 83 N -2.67 -0.55 0.06 1.40 0.11 -1.01 -4.82 120.40 112.92 2wrj s VAL 83 Ca 0.67 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.41 2wrj s VAL 83 Cb -0.22 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.58 2wrj s VAL 83 CO 0.61 0.00 1.11 0.20 -3.33 0.00 0.00 175.10 173.69 2wrj s ASN 84 N 2.72 7.21 0.00 3.54 0.02 -1.19 -0.95 114.94 126.29 2wrj s ASN 84 Ca 0.02 1.91 0.00 0.00 -1.02 0.00 0.00 52.86 53.77 2wrj s ASN 84 Cb -0.09 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.60 2wrj s ASN 84 CO -0.16 -0.36 0.71 0.00 0.02 0.00 0.00 177.10 177.31 2wrj n LEU 85 N 3.66 0.00 0.06 0.60 -0.00 -0.42 -2.10 117.00 118.80 2wrj n LEU 85 Ca 0.07 0.23 -0.02 0.00 -0.00 0.00 0.00 56.01 56.28 2wrj n LEU 85 Cb 0.48 -0.23 -0.01 0.00 -0.00 0.00 0.00 43.42 43.66 2wrj n LEU 85 CO 0.54 -0.23 0.45 0.50 -0.00 0.00 0.00 177.39 178.66 2wrj h LYS 86 N 0.00 -0.15 0.00 1.47 3.64 -1.70 -1.43 116.57 118.40 2wrj h LYS 86 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2wrj h LYS 86 Cb 0.04 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2wrj h LYS 86 CO 0.00 -0.10 0.00 -0.44 -2.27 0.00 0.00 179.45 176.64 2wrj h ASP 87 N -0.17 0.00 0.75 4.20 3.32 -1.75 -2.46 116.42 120.31 2wrj h ASP 87 Ca -0.02 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 2wrj h ASP 87 Cb 0.12 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2wrj h ASP 87 CO 0.03 0.00 -0.59 0.25 -1.72 0.00 0.00 179.24 177.21 2wrj h LEU 88 N 0.00 0.00 -1.84 1.55 5.85 -1.44 -3.30 115.31 116.13 2wrj h LEU 88 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2wrj h LEU 88 Cb 0.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2wrj h LEU 88 CO 0.00 0.59 0.00 0.00 -0.34 0.00 0.00 178.44 178.69 2wrj n ALA 89 N -2.37 1.88 -1.66 1.25 0.00 -0.54 -4.11 120.51 114.95 2wrj n ALA 89 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2wrj n ALA 89 Cb 0.63 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.08 2wrj n ALA 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wrj n ARG 90 N 0.70 0.00 -1.57 0.00 0.63 -1.24 -4.97 116.66 110.20 2wrj n ARG 90 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 2wrj n ARG 90 Cb 0.20 -0.00 0.08 0.00 0.45 0.00 0.00 32.46 33.19 2wrj n ARG 90 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 2wrj s PHE 91 N 0.00 1.99 0.32 -0.14 -0.71 -1.26 -5.03 117.98 113.15 2wrj s PHE 91 Ca 0.00 1.53 0.07 0.00 -1.04 0.00 0.00 56.93 57.49 2wrj s PHE 91 Cb 0.00 -3.65 -0.06 0.00 -1.21 0.00 0.00 43.02 38.10 2wrj s PHE 91 CO 0.00 -2.93 -0.03 -2.00 -1.34 0.00 0.00 175.22 168.91 2wrj s GLU 92 N -3.58 1.67 0.00 1.99 2.12 -1.26 -4.98 118.70 114.66 2wrj s GLU 92 Ca 0.80 -1.88 0.00 0.00 0.36 0.00 0.00 54.97 54.25 2wrj s GLU 92 Cb -0.35 -1.26 0.00 0.00 0.26 0.00 0.00 34.13 32.77 2wrj s GLU 92 CO 0.43 0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 2wrj n GLY 93 N -0.69 1.45 2.72 -1.50 0.00 -1.26 -4.96 105.19 100.95 2wrj n GLY 93 Ca -0.05 -0.96 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 2wrj n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wrj s GLU 94 N 0.00 -0.00 -0.08 1.61 2.12 -1.26 -3.99 118.70 117.10 2wrj s GLU 94 Ca 0.00 0.29 -0.14 0.00 0.36 0.00 0.00 54.97 55.48 2wrj s GLU 94 Cb 0.00 -0.45 -0.05 0.00 0.26 0.00 0.00 34.13 33.89 2wrj s GLU 94 CO 0.00 -0.27 0.34 0.14 -0.54 0.00 0.00 175.26 174.94 2wrj s VAL 95 N 1.75 5.20 0.03 3.70 -7.23 -1.13 -4.98 120.40 117.73 2wrj s VAL 95 Ca -0.00 0.67 -0.14 0.00 -1.81 0.00 0.00 61.98 60.71 2wrj s VAL 95 Cb -0.12 -3.66 0.02 0.00 0.56 0.00 0.00 36.38 33.18 2wrj s VAL 95 CO -0.03 0.49 0.29 0.42 -0.31 0.00 0.00 175.10 175.97 2wrj s THR 96 N -0.37 0.08 0.62 5.32 -4.23 -1.26 -0.23 115.64 115.57 2wrj s THR 96 Ca 0.20 -0.65 -0.18 0.00 -1.18 0.00 0.00 61.69 59.89 2wrj s THR 96 Cb -0.15 -0.85 -0.05 0.00 1.34 0.00 0.00 72.50 72.80 2wrj s THR 96 CO 0.09 -0.36 0.83 -2.65 -0.54 0.00 0.00 174.62 171.99 2wrj n PRO 97 N 0.78 0.70 0.00 3.99 -0.02 -1.25 -0.46 135.00 138.74 2wrj n PRO 97 Ca -0.19 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2wrj n PRO 97 Cb 0.58 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2wrj n PRO 97 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wrj n GLU 98 N -0.89 0.00 -0.16 -0.52 4.07 -1.26 -4.61 120.64 117.26 2wrj n GLU 98 Ca 0.13 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.16 2wrj n GLU 98 Cb 0.48 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 31.88 2wrj n GLU 98 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2wrj h LEU 99 N 0.00 0.57 0.03 4.31 5.85 -1.18 -2.34 115.31 122.54 2wrj h LEU 99 Ca 0.00 -0.02 -0.27 0.00 0.84 0.00 0.00 57.88 58.42 2wrj h LEU 99 Cb 0.00 -0.14 0.02 0.00 0.37 0.00 0.00 40.66 40.91 2wrj h LEU 99 CO 0.00 0.42 -1.14 -0.07 -0.34 0.00 0.00 178.44 177.31 2wrj h LEU 100 N 0.66 0.76 -1.15 2.25 -0.00 -1.73 -2.53 115.31 113.57 2wrj h LEU 100 Ca 0.18 -0.67 0.06 0.00 -0.00 0.00 0.00 57.88 57.45 2wrj h LEU 100 Cb -0.07 -0.24 -0.06 0.00 -0.00 0.00 0.00 40.66 40.30 2wrj h LEU 100 CO -0.04 1.48 0.59 -0.37 -0.00 0.00 0.00 178.44 180.10 2wrj h VAL 101 N 0.27 1.06 -0.28 1.22 -1.51 -1.47 0.37 116.25 115.91 2wrj h VAL 101 Ca -0.15 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2wrj h VAL 101 Cb 1.81 -0.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 2wrj h VAL 101 CO 0.21 0.19 0.00 -1.14 -1.23 0.00 0.00 177.57 175.60 2wrj n ARG 102 N -4.49 1.93 0.00 5.19 0.63 -0.89 -3.94 116.66 115.09 2wrj n ARG 102 Ca 0.14 -1.41 0.00 0.00 -0.92 0.00 0.00 57.85 55.66 2wrj n ARG 102 Cb 0.20 -1.39 0.00 0.00 0.45 0.00 0.00 32.46 31.72 2wrj n ARG 102 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wrj n ALA 103 N 0.63 1.20 -1.50 5.13 0.00 0.11 -5.06 120.51 121.02 2wrj n ALA 103 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2wrj n ALA 103 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2wrj n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrj n GLY 104 N 4.26 -0.09 0.00 0.00 0.00 0.06 -5.05 105.19 104.38 2wrj n GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wrj n GLY 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wrj n LEU 105 N -0.67 0.00 0.00 0.99 4.32 -1.22 -4.85 117.00 115.57 2wrj n LEU 105 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2wrj n LEU 105 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2wrj n LEU 105 CO 0.00 0.00 0.00 0.18 -1.22 0.00 0.00 177.39 176.35 2wrj n LEU 106 N 0.00 0.00 -3.02 2.23 4.32 -1.26 -3.12 117.00 116.15 2wrj n LEU 106 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.93 2wrj n LEU 106 Cb 0.00 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 2wrj n LEU 106 CO 0.00 0.00 -0.40 2.29 -1.22 0.00 0.00 177.39 178.06 2wrj n LYS 107 N 0.00 -1.94 -0.46 3.23 2.85 -1.25 -1.59 118.16 119.00 2wrj n LYS 107 Ca 0.00 1.77 0.00 0.00 -1.05 0.00 0.00 58.31 59.03 2wrj n LYS 107 Cb 0.00 -3.32 0.00 0.00 -0.65 0.00 0.00 35.03 31.06 2wrj n LYS 107 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2wrj n LYS 108 N 0.68 -1.23 0.00 -1.58 4.01 -1.26 -4.63 118.16 114.14 2wrj n LYS 108 Ca 0.00 0.18 0.00 0.00 -0.51 0.00 0.00 58.31 57.98 2wrj n LYS 108 Cb 0.34 -3.57 0.00 0.00 -0.51 0.00 0.00 35.03 31.29 2wrj n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wrj n GLY 109 N 0.08 0.44 7.00 0.72 0.00 -0.62 -4.89 105.19 107.92 2wrj n GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wrj n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wrj n TYR 110 N 0.17 0.00 -0.74 1.61 9.36 -1.26 -4.45 117.16 121.84 2wrj n TYR 110 Ca 0.00 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.95 2wrj n TYR 110 Cb 0.08 0.02 0.03 0.00 -0.63 0.00 0.00 39.34 38.85 2wrj n TYR 110 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wrj n ARG 111 N 14.00 0.00 -3.68 2.98 3.00 -1.23 -4.91 116.66 126.82 2wrj n ARG 111 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.70 2wrj n ARG 111 Cb 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 32.46 31.58 2wrj n ARG 111 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2wrj s LEU 112 N 5.96 -0.02 -0.16 0.55 1.98 -1.26 -3.90 118.68 121.83 2wrj s LEU 112 Ca 0.29 0.48 0.00 0.00 -2.89 0.00 0.00 54.13 52.02 2wrj s LEU 112 Cb -0.07 0.56 0.02 0.00 0.66 0.00 0.00 46.19 47.36 2wrj s LEU 112 CO 0.58 -0.22 -0.15 -0.75 -1.89 0.00 0.00 176.35 173.93 2wrj s LYS 113 N 2.06 2.36 -0.12 1.98 2.20 -1.09 -1.25 119.74 125.87 2wrj s LYS 113 Ca -0.01 -0.61 -0.12 0.00 -0.36 0.00 0.00 55.97 54.87 2wrj s LYS 113 Cb -0.12 -2.18 -0.05 0.00 -1.51 0.00 0.00 37.83 33.98 2wrj s LYS 113 CO -0.08 -0.25 0.27 -1.50 -0.36 0.00 0.00 175.35 173.44 2wrj s ILE 114 N 1.46 5.30 0.00 5.43 1.10 0.15 -2.41 121.20 132.23 2wrj s ILE 114 Ca 0.05 0.51 0.00 0.00 -0.51 0.00 0.00 60.65 60.70 2wrj s ILE 114 Cb -0.13 -3.59 0.00 0.00 0.15 0.00 0.00 42.46 38.89 2wrj s ILE 114 CO -0.11 0.48 0.00 0.00 -2.11 0.00 0.00 174.94 173.20 2wrj n LEU 115 N 2.90 0.00 0.00 8.50 -0.00 -0.13 -2.04 117.00 126.24 2wrj n LEU 115 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 2wrj n LEU 115 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 2wrj n LEU 115 CO 0.37 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.37 2wrj n GLY 116 N 0.00 2.77 3.93 1.47 0.00 -1.26 -1.30 105.19 110.80 2wrj n GLY 116 Ca 0.00 -2.03 -0.26 0.00 0.00 0.00 0.00 46.02 43.73 2wrj n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wrj s GLU 117 N -2.05 2.23 0.00 1.61 2.02 -1.26 -4.46 118.70 116.79 2wrj s GLU 117 Ca 0.00 -2.02 0.00 0.00 0.02 0.00 0.00 54.97 52.97 2wrj s GLU 117 Cb 0.00 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 32.08 2wrj s GLU 117 CO 0.00 -0.72 0.00 0.41 0.02 0.00 0.00 175.26 174.97 2wrj n GLY 118 N -1.88 -3.68 3.02 -1.39 0.00 -1.26 -2.96 105.19 97.04 2wrj n GLY 118 Ca 0.00 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 2wrj n GLY 118 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wrj n GLU 119 N 0.02 0.00 -3.98 1.61 -0.58 -1.26 -4.21 120.64 112.24 2wrj n GLU 119 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 2wrj n GLU 119 Cb 0.00 -0.94 -0.05 0.00 -0.57 0.00 0.00 31.44 29.88 2wrj n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wrj s ALA 120 N -1.88 3.82 -0.16 0.62 0.00 -1.26 -4.64 121.76 118.25 2wrj s ALA 120 Ca 0.51 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 51.44 2wrj s ALA 120 Cb -0.43 -1.65 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 2wrj s ALA 120 CO 0.64 0.74 0.13 0.15 0.00 0.00 0.00 175.76 177.42 2wrj s LYS 121 N -2.60 3.85 0.20 0.00 1.02 -1.26 -5.04 119.74 115.91 2wrj s LYS 121 Ca 0.33 -0.19 -0.32 0.00 0.02 0.00 0.00 55.97 55.80 2wrj s LYS 121 Cb -0.12 -3.31 -0.13 0.00 -0.52 0.00 0.00 37.83 33.75 2wrj s LYS 121 CO 0.26 0.51 1.59 -2.30 -0.92 0.00 0.00 175.35 174.48 2wrj n PRO 122 N 2.85 2.36 0.00 -1.68 -0.02 -1.25 -4.86 135.00 132.39 2wrj n PRO 122 Ca -0.18 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2wrj n PRO 122 Cb 0.53 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2wrj n PRO 122 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2wrj n LEU 123 N 3.20 0.00 -4.73 2.45 -0.00 -1.24 -4.89 117.00 111.79 2wrj n LEU 123 Ca 0.15 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.75 2wrj n LEU 123 Cb 0.32 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.69 2wrj n LEU 123 CO 0.63 0.00 0.66 -0.54 -0.00 0.00 0.00 177.39 178.14 2wrj s LYS 124 N -2.00 4.67 -0.22 1.47 -0.14 -1.26 -2.12 119.74 120.15 2wrj s LYS 124 Ca 0.00 1.43 -0.01 0.00 -1.36 0.00 0.00 55.97 56.03 2wrj s LYS 124 Cb 0.00 -3.39 0.06 0.00 -1.68 0.00 0.00 37.83 32.83 2wrj s LYS 124 CO 0.00 0.19 -0.02 0.54 -0.76 0.00 0.00 175.35 175.30 2wrj s VAL 125 N 0.10 1.15 -0.44 3.17 0.11 -1.26 -2.83 120.40 120.41 2wrj s VAL 125 Ca 0.47 -0.99 -0.25 0.00 -2.93 0.00 0.00 61.98 58.28 2wrj s VAL 125 Cb -0.23 -1.52 0.02 0.00 -1.53 0.00 0.00 36.38 33.13 2wrj s VAL 125 CO 0.29 -0.15 0.92 -0.69 -3.33 0.00 0.00 175.10 172.14 2wrj s VAL 126 N 1.57 4.51 0.24 2.04 1.01 0.68 -3.35 120.40 127.10 2wrj s VAL 126 Ca -0.04 0.84 0.01 0.00 0.00 0.00 0.00 61.98 62.80 2wrj s VAL 126 Cb -0.18 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 2wrj s VAL 126 CO -0.07 -0.75 0.18 0.00 0.00 0.00 0.00 175.10 174.45 2wrj s ALA 127 N 3.66 1.37 -0.01 5.51 0.00 -1.26 -3.83 121.76 127.20 2wrj s ALA 127 Ca 0.37 -1.81 0.05 0.00 0.00 0.00 0.00 51.96 50.57 2wrj s ALA 127 Cb -0.11 1.41 -0.24 0.00 0.00 0.00 0.00 23.12 24.18 2wrj s ALA 127 CO 0.24 -0.61 0.80 0.45 0.00 0.00 0.00 175.76 176.64 2wrj h HIS 128 N 2.47 0.18 -1.77 0.00 3.86 -1.46 -3.27 115.15 115.16 2wrj h HIS 128 Ca -0.33 -0.13 0.04 0.00 -1.16 0.00 0.00 60.37 58.79 2wrj h HIS 128 Cb 1.24 -0.01 -0.21 0.00 1.06 0.00 0.00 27.41 29.50 2wrj h HIS 128 CO 0.76 1.19 0.42 0.00 0.86 0.00 0.00 177.93 181.16 2wrj s ALA 129 N -2.62 -1.87 -0.02 2.45 0.00 -1.08 -4.41 121.76 114.22 2wrj s ALA 129 Ca -0.07 1.45 0.04 0.00 0.00 0.00 0.00 51.96 53.38 2wrj s ALA 129 Cb 0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 2wrj s ALA 129 CO 0.83 -0.36 -0.14 -0.06 0.00 0.00 0.00 175.76 176.03 2wrj s PHE 130 N -1.31 1.27 0.99 0.00 0.08 -1.25 0.31 117.98 118.07 2wrj s PHE 130 Ca -0.04 -0.27 -0.12 0.00 0.12 0.00 0.00 56.93 56.62 2wrj s PHE 130 Cb -0.00 -0.83 0.19 0.00 -0.57 0.00 0.00 43.02 41.80 2wrj s PHE 130 CO 0.03 -0.05 1.08 -1.54 -0.10 0.00 0.00 175.22 174.65 2wrj s SER 131 N -0.22 2.49 0.07 1.36 1.04 -0.86 -4.93 113.70 112.64 2wrj s SER 131 Ca 0.03 1.61 -0.36 0.00 0.48 0.00 0.00 55.95 57.71 2wrj s SER 131 Cb -0.07 -2.27 -0.19 0.00 0.10 0.00 0.00 66.02 63.60 2wrj s SER 131 CO -0.00 -3.28 1.55 0.11 0.98 0.00 0.00 173.24 172.61 2wrj h LYS 132 N -1.99 -1.11 -0.02 4.02 1.57 -2.01 -3.25 116.57 113.78 2wrj h LYS 132 Ca -0.52 0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.34 2wrj h LYS 132 Cb 1.30 0.25 -0.03 0.00 0.08 0.00 0.00 32.23 33.84 2wrj h LYS 132 CO 0.51 -0.74 -0.25 1.03 -0.57 0.00 0.00 179.45 179.42 2wrj h SER 133 N -1.16 -0.79 -0.79 0.86 0.87 -1.96 -3.26 113.55 107.32 2wrj h SER 133 Ca -0.10 0.09 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 2wrj h SER 133 Cb 0.94 0.30 -0.07 0.00 -0.44 0.00 0.00 62.40 63.13 2wrj h SER 133 CO 0.07 -0.24 1.69 0.00 -0.53 0.00 0.00 176.83 177.81 2wrj s ALA 134 N -4.55 2.70 0.00 6.23 0.00 -1.22 -0.67 121.76 124.24 2wrj s ALA 134 Ca -0.07 -2.50 0.00 0.00 0.00 0.00 0.00 51.96 49.38 2wrj s ALA 134 Cb 0.03 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.52 2wrj s ALA 134 CO 0.28 -3.96 0.00 -0.11 0.00 0.00 0.00 175.76 171.97 2wrj n LEU 135 N 10.43 0.00 0.09 0.00 -0.00 -1.24 -3.63 117.00 122.66 2wrj n LEU 135 Ca 0.45 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 56.25 2wrj n LEU 135 Cb 0.47 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.74 2wrj n LEU 135 CO 0.71 0.00 -0.34 -0.33 -0.00 0.00 0.00 177.39 177.43 2wrj h GLU 136 N 0.00 0.36 0.00 1.96 4.39 -0.93 -2.51 114.58 117.84 2wrj h GLU 136 Ca 0.00 -0.61 0.00 0.00 0.34 0.00 0.00 59.36 59.09 2wrj h GLU 136 Cb 0.00 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2wrj h GLU 136 CO 0.00 1.26 0.00 1.63 -1.16 0.00 0.00 179.01 180.74 2wrj n LYS 137 N -3.56 0.67 -0.00 2.33 5.02 -1.02 -0.71 118.16 120.89 2wrj n LYS 137 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 2wrj n LYS 137 Cb 1.06 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 2wrj n LYS 137 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2wrj n LEU 138 N -0.89 1.11 -0.29 -0.35 7.94 -1.12 -4.08 117.00 119.33 2wrj n LEU 138 Ca 0.13 -1.11 -0.06 0.00 -1.11 0.00 0.00 56.01 53.86 2wrj n LEU 138 Cb 0.06 -0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.07 2wrj n LEU 138 CO 0.09 0.28 1.04 0.50 -1.11 0.00 0.00 177.39 178.19 2wrj h LYS 139 N 0.02 1.18 -4.53 1.96 3.64 -0.48 -3.25 116.57 115.12 2wrj h LYS 139 Ca 0.00 -0.22 -0.72 0.00 -1.27 0.00 0.00 60.65 58.44 2wrj h LYS 139 Cb 0.06 -0.19 -0.11 0.00 -0.41 0.00 0.00 32.23 31.58 2wrj h LYS 139 CO 0.00 0.96 2.19 0.00 -2.27 0.00 0.00 179.45 180.33 2wrj n ALA 140 N -2.43 4.59 -1.25 5.00 0.00 -1.26 -4.67 120.51 120.49 2wrj n ALA 140 Ca 0.07 -4.07 0.00 0.00 0.00 0.00 0.00 53.44 49.44 2wrj n ALA 140 Cb 0.19 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 16.34 2wrj n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrj n ALA 141 N 6.00 -2.51 0.00 0.00 0.00 -1.24 -4.71 120.51 118.06 2wrj n ALA 141 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2wrj n ALA 141 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2wrj n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrj n GLY 142 N 0.16 -0.57 3.74 0.00 0.00 -1.23 -3.68 105.19 103.61 2wrj n GLY 142 Ca 0.00 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.69 2wrj n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wrj s GLY 143 N 0.00 1.89 -0.50 -0.02 0.00 -0.90 -4.86 107.32 102.93 2wrj s GLY 143 Ca 0.00 -1.79 0.08 0.00 0.00 0.00 0.00 44.72 43.01 2wrj s GLY 143 CO 0.00 -1.73 0.90 -2.21 0.00 0.00 0.00 173.10 170.06 2wrj n GLU 144 N -1.16 2.52 -1.18 2.90 2.13 -1.26 -4.30 120.64 120.29 2wrj n GLU 144 Ca -0.03 -4.34 -0.32 0.00 0.66 0.00 0.00 57.16 53.13 2wrj n GLU 144 Cb 0.61 -2.05 0.11 0.00 0.27 0.00 0.00 31.44 30.38 2wrj n GLU 144 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2wrj s PRO 145 N -3.17 1.87 0.00 5.31 0.02 -1.21 -5.02 135.00 132.80 2wrj s PRO 145 Ca 0.45 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.97 2wrj s PRO 145 Cb 0.32 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 33.01 2wrj s PRO 145 CO -0.12 -1.99 0.00 1.55 -0.33 0.00 0.00 177.00 176.11 2wrj n VAL 146 N -3.39 0.00 0.00 3.83 3.14 -1.23 -4.14 118.33 116.54 2wrj n VAL 146 Ca 0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 2wrj n VAL 146 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 2wrj n VAL 146 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2wrj n LEU 147 N 0.00 0.00 0.00 6.55 7.94 -1.26 -4.70 117.00 125.52 2wrj n LEU 147 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wrj n LEU 147 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2wrj n LEU 147 CO 0.00 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.46 2wrj n LEU 148 N 0.00 0.00 -3.10 -1.96 4.32 -1.26 -4.85 117.00 110.15 2wrj n LEU 148 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.82 2wrj n LEU 148 Cb 0.00 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 2wrj n LEU 148 CO 0.00 0.00 -0.06 1.21 -1.22 0.00 0.00 177.39 177.32 2wrj n GLU 149 N -1.88 -2.64 0.00 3.23 2.13 -1.26 -5.19 120.64 115.03 2wrj n GLU 149 Ca 0.00 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.10 2wrj n GLU 149 Cb 0.00 -4.88 0.00 0.00 0.27 0.00 0.00 31.44 26.83 2wrj n GLU 149 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72