#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj h ASN 2 N 0.00 -0.07 -0.21 6.12 2.35 -2.08 -3.39 115.58 118.30 2wrj h ASN 2 Ca 0.00 -0.55 -0.11 0.00 -0.55 0.00 0.00 56.30 55.09 2wrj h ASN 2 Cb 0.00 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2wrj h ASN 2 CO 0.00 0.60 0.34 -0.13 -1.65 0.00 0.00 177.43 176.60 2wrj s ARG 3 N -3.04 1.52 0.30 0.81 1.81 -1.26 -4.65 118.95 114.44 2wrj s ARG 3 Ca -0.14 -0.65 0.01 0.00 -1.72 0.00 0.00 55.73 53.22 2wrj s ARG 3 Cb -0.00 -5.06 0.73 0.00 -0.45 0.00 0.00 34.95 30.17 2wrj s ARG 3 CO 0.54 -5.12 1.58 0.78 -0.68 0.00 0.00 175.30 172.40 2wrj h GLY 4 N 21.12 1.22 0.00 -3.53 0.00 -2.04 -3.30 103.07 116.54 2wrj h GLY 4 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2wrj h GLY 4 CO 1.07 -0.49 0.00 0.00 0.00 0.00 0.00 176.54 177.12 2wrj n ALA 5 N -3.10 0.00 0.00 3.60 0.00 -1.26 -4.29 120.51 115.46 2wrj n ALA 5 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2wrj n ALA 5 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 2wrj n ALA 5 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wrj n LEU 6 N 0.00 0.00 -0.31 0.00 0.00 -1.25 -2.05 117.00 113.39 2wrj n LEU 6 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 56.01 56.13 2wrj n LEU 6 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 43.42 43.66 2wrj n LEU 6 CO 0.00 0.00 0.68 -0.38 0.00 0.00 0.00 177.39 177.69 2wrj n ILE 7 N 0.00 -0.37 0.36 1.96 5.41 -1.24 0.26 119.36 125.74 2wrj n ILE 7 Ca 0.00 1.94 -0.17 0.00 1.00 0.00 0.00 62.75 65.52 2wrj n ILE 7 Cb 0.00 -2.82 -0.09 0.00 -0.71 0.00 0.00 39.64 36.03 2wrj n ILE 7 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2wrj h LYS 8 N 0.00 -0.87 0.00 0.38 1.57 -1.60 -1.12 116.57 114.94 2wrj h LYS 8 Ca 0.52 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.35 2wrj h LYS 8 Cb 1.03 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2wrj h LYS 8 CO -0.84 -0.55 0.33 1.28 -0.57 0.00 0.00 179.45 179.11 2wrj n LEU 9 N -5.44 0.09 0.00 2.94 4.77 0.73 -2.12 117.00 117.97 2wrj n LEU 9 Ca -0.13 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2wrj n LEU 9 Cb 0.38 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2wrj n LEU 9 CO 0.36 -0.34 0.01 0.52 -1.33 0.00 0.00 177.39 176.61 2wrj n VAL 10 N -1.48 0.00 -0.38 4.08 0.31 0.22 -3.72 118.33 117.35 2wrj n VAL 10 Ca -0.00 0.37 0.35 0.00 -0.01 0.00 0.00 64.34 65.05 2wrj n VAL 10 Cb 0.34 -1.08 0.54 0.00 -0.91 0.00 0.00 33.84 32.72 2wrj n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wrj n GLU 11 N -1.56 0.01 -0.07 5.55 4.71 -0.90 -0.42 120.64 127.95 2wrj n GLU 11 Ca 0.00 0.95 0.00 0.00 -0.01 0.00 0.00 57.16 58.10 2wrj n GLU 11 Cb 0.00 -2.28 0.00 0.00 -1.01 0.00 0.00 31.44 28.15 2wrj n GLU 11 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2wrj n SER 12 N -3.34 0.88 -1.89 1.62 7.64 -1.12 -4.15 113.62 113.27 2wrj n SER 12 Ca 0.29 -1.10 -0.14 0.00 1.01 0.00 0.00 58.87 58.94 2wrj n SER 12 Cb 1.58 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 64.60 2wrj n SER 12 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wrj n ARG 13 N 1.74 1.72 0.00 1.43 5.12 0.44 -3.07 116.66 124.04 2wrj n ARG 13 Ca 0.00 -1.29 0.00 0.00 -1.93 0.00 0.00 57.85 54.63 2wrj n ARG 13 Cb 0.09 -1.57 0.00 0.00 -1.16 0.00 0.00 32.46 29.82 2wrj n ARG 13 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2wrj n TYR 14 N 0.80 0.00 -1.07 -1.55 4.02 -1.26 -5.09 117.16 113.02 2wrj n TYR 14 Ca 0.27 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.78 2wrj n TYR 14 Cb 0.58 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.87 2wrj n TYR 14 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2wrj n VAL 15 N -1.15 1.31 -2.34 -0.72 0.24 -1.17 -4.86 118.33 109.65 2wrj n VAL 15 Ca 0.00 -0.33 -0.03 0.00 -2.04 0.00 0.00 64.34 61.94 2wrj n VAL 15 Cb 0.09 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.48 2wrj n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2wrj n ARG 16 N 0.80 0.55 0.00 7.34 5.12 -1.26 -5.05 116.66 124.16 2wrj n ARG 16 Ca 0.14 -0.37 0.00 0.00 -1.93 0.00 0.00 57.85 55.68 2wrj n ARG 16 Cb 0.17 -0.09 0.00 0.00 -1.16 0.00 0.00 32.46 31.39 2wrj n ARG 16 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2wrj n THR 17 N -1.55 0.00 0.63 0.55 5.66 -1.26 -4.94 114.28 113.36 2wrj n THR 17 Ca 0.02 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.09 2wrj n THR 17 Cb 0.08 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 69.06 2wrj n THR 17 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2wrj n ASP 18 N 0.00 2.32 -4.64 1.09 5.75 -1.26 -4.90 116.55 114.91 2wrj n ASP 18 Ca 0.00 -1.99 -0.42 0.00 -0.01 0.00 0.00 54.79 52.37 2wrj n ASP 18 Cb 0.00 -0.29 -0.04 0.00 -1.03 0.00 0.00 41.12 39.76 2wrj n ASP 18 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2wrj s LEU 19 N -1.02 4.09 -0.26 -2.12 1.43 -1.26 -4.94 118.68 114.60 2wrj s LEU 19 Ca 0.29 1.03 -0.32 0.00 -1.03 0.00 0.00 54.13 54.11 2wrj s LEU 19 Cb 0.15 -3.17 -0.08 0.00 0.03 0.00 0.00 46.19 43.12 2wrj s LEU 19 CO 0.20 -0.50 2.18 -2.65 0.23 0.00 0.00 176.35 175.81 2wrj n PRO 20 N 5.94 1.63 -1.69 1.29 -0.02 -1.26 -4.88 135.00 136.01 2wrj n PRO 20 Ca 0.05 0.47 -0.44 0.00 -2.02 0.00 0.00 63.50 61.56 2wrj n PRO 20 Cb 0.48 -2.87 -0.04 0.00 -0.02 0.00 0.00 33.50 31.06 2wrj n PRO 20 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wrj n GLU 21 N 8.33 2.56 -4.02 -0.52 2.13 -1.26 -4.94 120.64 122.90 2wrj n GLU 21 Ca 0.34 0.93 -0.10 0.00 0.66 0.00 0.00 57.16 58.99 2wrj n GLU 21 Cb 0.34 -2.77 -0.08 0.00 0.27 0.00 0.00 31.44 29.20 2wrj n GLU 21 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 2wrj s PHE 22 N 2.11 0.55 0.14 4.31 -0.12 -1.26 -5.16 117.98 118.55 2wrj s PHE 22 Ca 0.81 -0.91 -0.14 0.00 -0.05 0.00 0.00 56.93 56.63 2wrj s PHE 22 Cb -0.56 -0.19 0.02 0.00 -0.63 0.00 0.00 43.02 41.66 2wrj s PHE 22 CO 0.38 -0.66 0.38 -0.98 -0.05 0.00 0.00 175.22 174.29 2wrj s ARG 23 N -4.00 1.13 0.00 1.99 1.70 -1.26 -5.00 118.95 113.51 2wrj s ARG 23 Ca 0.20 -0.85 0.00 0.00 -0.47 0.00 0.00 55.73 54.61 2wrj s ARG 23 Cb 0.05 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.88 2wrj s ARG 23 CO 0.01 -0.44 0.00 -2.30 -1.08 0.00 0.00 175.30 171.49 2wrj n PRO 24 N -0.23 0.00 0.00 3.89 -0.02 -1.26 -4.13 135.00 133.25 2wrj n PRO 24 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2wrj n PRO 24 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 2wrj n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wrj n GLY 25 N 0.00 0.64 3.15 -1.23 0.00 -1.26 -4.31 105.19 102.17 2wrj n GLY 25 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2wrj n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wrj s ASP 26 N -1.00 -0.02 0.06 1.61 3.68 -1.22 -4.22 116.67 115.56 2wrj s ASP 26 Ca 0.00 0.01 0.01 0.00 2.13 0.00 0.00 52.55 54.70 2wrj s ASP 26 Cb 0.00 1.02 0.01 0.00 -1.45 0.00 0.00 42.92 42.49 2wrj s ASP 26 CO 0.00 -0.00 0.06 1.07 0.13 0.00 0.00 175.17 176.42 2wrj n THR 27 N 5.26 0.00 -3.15 1.71 5.66 -1.23 -2.74 114.28 119.78 2wrj n THR 27 Ca 0.00 -0.25 0.06 0.00 -3.05 0.00 0.00 64.05 60.81 2wrj n THR 27 Cb 0.57 -0.56 -0.01 0.00 -1.55 0.00 0.00 70.33 68.78 2wrj n THR 27 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2wrj s VAL 28 N -0.11 -0.15 -0.10 1.08 1.01 -1.22 -3.20 120.40 117.72 2wrj s VAL 28 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 2wrj s VAL 28 Cb -0.00 -0.64 0.08 0.00 0.00 0.00 0.00 36.38 35.82 2wrj s VAL 28 CO 0.03 0.00 0.76 -0.60 0.00 0.00 0.00 175.10 175.29 2wrj s ARG 29 N 2.98 0.93 0.00 2.72 6.06 -1.21 -4.43 118.95 126.00 2wrj s ARG 29 Ca 0.09 0.30 0.00 0.00 -2.50 0.00 0.00 55.73 53.62 2wrj s ARG 29 Cb -0.06 0.44 0.00 0.00 0.06 0.00 0.00 34.95 35.40 2wrj s ARG 29 CO -0.14 -0.28 0.00 1.33 -2.50 0.00 0.00 175.30 173.71 2wrj n VAL 30 N 1.04 0.00 -2.28 7.11 0.24 -1.26 -4.35 118.33 118.83 2wrj n VAL 30 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2wrj n VAL 30 Cb 0.57 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 2wrj n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2wrj n SER 31 N 0.00 0.00 0.00 -1.34 3.41 -0.61 -4.78 113.62 110.30 2wrj n SER 31 Ca 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2wrj n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wrj n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wrj n TYR 32 N 0.00 0.00 -1.91 7.33 -0.00 -1.23 -4.36 117.16 117.00 2wrj n TYR 32 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.89 2wrj n TYR 32 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.33 2wrj n TYR 32 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2wrj n LYS 33 N -0.48 -1.51 -3.35 -3.48 4.76 -1.26 -4.19 118.16 108.65 2wrj n LYS 33 Ca 0.00 1.48 -0.46 0.00 -2.87 0.00 0.00 58.31 56.46 2wrj n LYS 33 Cb 0.00 -2.51 -0.02 0.00 -1.84 0.00 0.00 35.03 30.67 2wrj n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wrj s VAL 34 N -0.37 5.62 0.30 -0.18 1.01 -1.26 -3.50 120.40 122.02 2wrj s VAL 34 Ca -0.07 -2.78 0.04 0.00 0.00 0.00 0.00 61.98 59.17 2wrj s VAL 34 Cb 0.00 -4.45 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 2wrj s VAL 34 CO 0.28 -1.07 0.13 2.29 0.00 0.00 0.00 175.10 176.74 2wrj n LYS 35 N 3.57 0.61 -1.99 2.72 2.85 -0.85 -4.82 118.16 120.25 2wrj n LYS 35 Ca 0.16 -2.61 -0.18 0.00 -1.05 0.00 0.00 58.31 54.63 2wrj n LYS 35 Cb 0.44 1.53 -0.04 0.00 -0.65 0.00 0.00 35.03 36.31 2wrj n LYS 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2wrj n GLU 36 N -0.66 -1.63 -1.89 -1.58 2.13 -1.26 -0.55 120.64 115.19 2wrj n GLU 36 Ca -0.03 0.99 -0.19 0.00 0.66 0.00 0.00 57.16 58.59 2wrj n GLU 36 Cb 0.46 -5.49 -0.05 0.00 0.27 0.00 0.00 31.44 26.63 2wrj n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wrj n GLY 37 N -0.66 0.88 3.14 8.31 0.00 -1.26 -4.94 105.19 110.65 2wrj n GLY 37 Ca -0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 2wrj n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj s ASN 38 N -2.38 0.34 -0.73 1.61 6.03 0.29 -5.07 114.94 115.02 2wrj s ASN 38 Ca 0.00 -1.13 0.01 0.00 -1.03 0.00 0.00 52.86 50.71 2wrj s ASN 38 Cb 0.00 0.28 0.37 0.00 -3.03 0.00 0.00 41.25 38.86 2wrj s ASN 38 CO 0.00 -0.70 1.64 0.54 -2.03 0.00 0.00 177.10 176.55 2wrj n ARG 39 N -0.05 3.38 -1.95 3.55 1.74 -1.26 -2.00 116.66 120.07 2wrj n ARG 39 Ca -0.08 -4.09 0.00 0.00 -0.77 0.00 0.00 57.85 52.91 2wrj n ARG 39 Cb 0.63 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 2wrj n ARG 39 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2wrj n THR 40 N -0.43 0.00 -1.81 0.55 -2.24 -1.23 -4.90 114.28 104.23 2wrj n THR 40 Ca 0.47 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.25 2wrj n THR 40 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 2wrj n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wrj n ARG 41 N 0.00 -4.79 -3.87 -0.78 0.63 -1.26 -4.60 116.66 101.99 2wrj n ARG 41 Ca 0.00 3.46 -0.35 0.00 -0.92 0.00 0.00 57.85 60.04 2wrj n ARG 41 Cb 0.00 -3.68 -0.13 0.00 0.45 0.00 0.00 32.46 29.10 2wrj n ARG 41 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 2wrj s ILE 42 N -0.73 3.70 -0.06 5.15 -4.36 -1.26 -4.30 121.20 119.33 2wrj s ILE 42 Ca 0.00 -0.38 -0.10 0.00 -0.26 0.00 0.00 60.65 59.91 2wrj s ILE 42 Cb 0.00 -2.70 -0.05 0.00 1.25 0.00 0.00 42.46 40.96 2wrj s ILE 42 CO 0.00 0.40 0.26 -1.58 0.24 0.00 0.00 174.94 174.25 2wrj s GLN 43 N 1.49 3.64 0.71 0.37 0.74 -1.26 -4.75 119.66 120.60 2wrj s GLN 43 Ca 0.06 0.09 -0.02 0.00 0.05 0.00 0.00 55.36 55.54 2wrj s GLN 43 Cb -0.15 -3.19 0.11 0.00 1.10 0.00 0.00 33.01 30.89 2wrj s GLN 43 CO -0.01 0.74 0.98 -0.51 -0.55 0.00 0.00 175.29 175.94 2wrj s ASP 44 N -1.10 4.43 -0.42 6.67 1.11 -1.26 -1.57 116.67 124.53 2wrj s ASP 44 Ca 0.19 -0.22 0.07 0.00 0.18 0.00 0.00 52.55 52.77 2wrj s ASP 44 Cb -0.14 -0.23 0.18 0.00 1.07 0.00 0.00 42.92 43.80 2wrj s ASP 44 CO 0.09 -1.80 0.58 0.12 1.18 0.00 0.00 175.17 175.34 2wrj s PHE 45 N -3.14 -1.28 -0.45 4.23 5.36 -1.26 -4.89 117.98 116.55 2wrj s PHE 45 Ca 0.65 -0.26 -0.29 0.00 -0.96 0.00 0.00 56.93 56.07 2wrj s PHE 45 Cb -0.06 0.11 0.01 0.00 -0.34 0.00 0.00 43.02 42.74 2wrj s PHE 45 CO 0.44 -1.14 1.36 -2.00 -1.46 0.00 0.00 175.22 172.42 2wrj s GLU 46 N 1.48 3.55 0.22 10.12 2.12 -1.26 -3.30 118.70 131.63 2wrj s GLU 46 Ca 0.20 0.79 -0.23 0.00 0.36 0.00 0.00 54.97 56.09 2wrj s GLU 46 Cb -0.05 -4.02 0.04 0.00 0.26 0.00 0.00 34.13 30.36 2wrj s GLU 46 CO -0.06 -1.60 0.74 0.20 -0.54 0.00 0.00 175.26 174.00 2wrj s GLY 47 N 3.76 -0.26 0.34 -1.50 0.00 -1.20 -4.74 107.32 103.73 2wrj s GLY 47 Ca 0.58 0.03 -0.26 0.00 0.00 0.00 0.00 44.72 45.06 2wrj s GLY 47 CO 0.31 0.01 0.98 -0.42 0.00 0.00 0.00 173.10 173.98 2wrj s ILE 48 N -3.74 4.06 -0.37 0.90 1.09 -0.83 -3.57 121.20 118.75 2wrj s ILE 48 Ca 0.08 1.69 -0.19 0.00 -1.10 0.00 0.00 60.65 61.13 2wrj s ILE 48 Cb -0.04 -3.92 0.00 0.00 -1.06 0.00 0.00 42.46 37.44 2wrj s ILE 48 CO 0.01 0.11 0.56 0.54 -0.10 0.00 0.00 174.94 176.05 2wrj s VAL 49 N -1.61 4.96 -0.11 2.92 0.11 -1.26 0.33 120.40 125.74 2wrj s VAL 49 Ca 0.52 0.30 0.16 0.00 -2.93 0.00 0.00 61.98 60.03 2wrj s VAL 49 Cb -0.20 -4.03 -0.23 0.00 -1.53 0.00 0.00 36.38 30.39 2wrj s VAL 49 CO 0.25 -0.32 0.47 -0.38 -3.33 0.00 0.00 175.10 171.80 2wrj n ILE 50 N 5.53 1.39 -3.78 7.04 -0.00 -0.24 -4.30 119.36 124.99 2wrj n ILE 50 Ca -0.04 -0.79 -0.13 0.00 -0.00 0.00 0.00 62.75 61.80 2wrj n ILE 50 Cb 0.49 -0.74 -0.11 0.00 -0.00 0.00 0.00 39.64 39.28 2wrj n ILE 50 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 2wrj s ARG 51 N -2.66 0.41 -0.31 0.38 3.52 -1.24 -2.50 118.95 116.56 2wrj s ARG 51 Ca -0.06 0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.72 2wrj s ARG 51 Cb 0.08 0.19 0.10 0.00 -1.56 0.00 0.00 34.95 33.76 2wrj s ARG 51 CO 0.83 -0.08 0.11 0.42 -0.81 0.00 0.00 175.30 175.77 2wrj s ILE 52 N -0.29 0.69 -0.45 4.11 1.01 -1.26 0.69 121.20 125.70 2wrj s ILE 52 Ca -0.04 -1.31 -0.21 0.00 0.00 0.00 0.00 60.65 59.09 2wrj s ILE 52 Cb -0.03 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.94 2wrj s ILE 52 CO 0.01 -0.70 0.68 -0.60 0.00 0.00 0.00 174.94 174.34 2wrj s ARG 53 N 1.67 3.30 0.36 2.79 3.52 0.12 -4.96 118.95 125.75 2wrj s ARG 53 Ca 0.10 -0.33 -0.11 0.00 -0.13 0.00 0.00 55.73 55.27 2wrj s ARG 53 Cb -0.17 -3.96 -0.07 0.00 -1.56 0.00 0.00 34.95 29.19 2wrj s ARG 53 CO -0.26 -1.06 0.71 1.03 -0.81 0.00 0.00 175.30 174.91 2wrj s ARG 54 N 2.96 3.81 0.00 5.12 0.52 -1.26 -1.47 118.95 128.62 2wrj s ARG 54 Ca 0.24 0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.88 2wrj s ARG 54 Cb -0.14 -2.46 0.00 0.00 0.52 0.00 0.00 34.95 32.87 2wrj s ARG 54 CO 0.20 0.07 0.00 -1.71 0.02 0.00 0.00 175.30 173.88 2wrj n ASN 55 N -0.95 0.00 0.00 0.23 5.15 -1.26 -4.97 115.26 113.46 2wrj n ASN 55 Ca 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 2wrj n ASN 55 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 2wrj n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wrj n GLY 56 N 0.00 1.62 0.00 8.20 0.00 -1.26 -4.71 105.19 109.04 2wrj n GLY 56 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2wrj n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wrj n PHE 57 N 0.00 -3.27 -3.33 1.61 -0.00 -1.26 -4.08 117.46 107.14 2wrj n PHE 57 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2wrj n PHE 57 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 2wrj n PHE 57 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2wrj n ASN 58 N -2.91 0.00 -4.44 -2.13 2.04 -1.26 -4.86 115.26 101.70 2wrj n ASN 58 Ca 0.00 0.00 -0.33 0.00 -0.44 0.00 0.00 54.58 53.81 2wrj n ASN 58 Cb 0.00 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.11 2wrj n ASN 58 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 2wrj s THR 59 N -4.41 3.06 0.38 5.53 -4.23 -1.26 -4.75 115.64 109.96 2wrj s THR 59 Ca 0.00 -0.70 0.02 0.00 -1.18 0.00 0.00 61.69 59.82 2wrj s THR 59 Cb 0.00 -2.22 0.02 0.00 1.34 0.00 0.00 72.50 71.63 2wrj s THR 59 CO 0.00 0.57 0.14 0.35 -0.54 0.00 0.00 174.62 175.14 2wrj n THR 60 N 2.71 0.00 -3.45 3.99 -2.24 -0.54 -3.91 114.28 110.84 2wrj n THR 60 Ca -0.17 -1.66 -0.13 0.00 -2.27 0.00 0.00 64.05 59.82 2wrj n THR 60 Cb 0.52 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.82 2wrj n THR 60 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2wrj s PHE 61 N -2.15 -0.54 0.15 4.78 -0.12 -0.73 0.15 117.98 119.52 2wrj s PHE 61 Ca 0.11 0.44 0.07 0.00 -0.05 0.00 0.00 56.93 57.50 2wrj s PHE 61 Cb -0.01 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 2wrj s PHE 61 CO 0.07 -0.79 -0.16 0.95 -0.05 0.00 0.00 175.22 175.23 2wrj s THR 62 N -3.29 1.58 -0.08 -4.49 -4.23 0.22 -0.31 115.64 105.04 2wrj s THR 62 Ca -0.01 -1.85 0.02 0.00 -1.18 0.00 0.00 61.69 58.68 2wrj s THR 62 Cb -0.01 -1.72 0.01 0.00 1.34 0.00 0.00 72.50 72.13 2wrj s THR 62 CO -0.09 -0.38 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.78 2wrj s VAL 63 N -2.16 1.29 -0.18 2.29 1.01 0.70 -1.08 120.40 122.28 2wrj s VAL 63 Ca 0.13 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 2wrj s VAL 63 Cb -0.05 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 2wrj s VAL 63 CO 0.05 0.39 -0.00 -0.60 0.00 0.00 0.00 175.10 174.94 2wrj s ARG 64 N 0.72 3.72 0.01 2.72 3.52 0.15 -0.37 118.95 129.42 2wrj s ARG 64 Ca -0.13 -0.48 0.01 0.00 -0.13 0.00 0.00 55.73 55.00 2wrj s ARG 64 Cb -0.16 -3.04 -0.01 0.00 -1.56 0.00 0.00 34.95 30.18 2wrj s ARG 64 CO 0.03 0.17 -0.04 0.21 -0.81 0.00 0.00 175.30 174.85 2wrj s LYS 65 N 0.59 0.35 -0.53 5.12 2.47 0.28 -1.97 119.74 126.05 2wrj s LYS 65 Ca -0.01 -0.26 -0.17 0.00 -1.56 0.00 0.00 55.97 53.97 2wrj s LYS 65 Cb -0.14 -0.28 0.09 0.00 -1.46 0.00 0.00 37.83 36.04 2wrj s LYS 65 CO 0.02 0.07 0.57 0.08 0.16 0.00 0.00 175.35 176.25 2wrj s VAL 66 N -0.36 5.02 -0.42 4.02 1.01 -1.26 0.36 120.40 128.76 2wrj s VAL 66 Ca -0.01 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.82 2wrj s VAL 66 Cb -0.03 -4.33 0.04 0.00 0.00 0.00 0.00 36.38 32.06 2wrj s VAL 66 CO -0.00 -0.86 0.30 -0.44 0.00 0.00 0.00 175.10 174.10 2wrj s SER 67 N 3.16 6.03 1.01 3.32 0.01 0.19 -4.94 113.70 122.48 2wrj s SER 67 Ca 0.09 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.31 2wrj s SER 67 Cb -0.24 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2wrj s SER 67 CO 0.07 -0.49 0.00 -1.22 0.41 0.00 0.00 173.24 172.01 2wrj n TYR 68 N 5.13 0.00 -0.01 2.43 4.01 -1.26 -2.68 117.16 124.78 2wrj n TYR 68 Ca -0.11 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.51 2wrj n TYR 68 Cb 0.46 0.05 -0.07 0.00 -0.31 0.00 0.00 39.34 39.47 2wrj n TYR 68 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2wrj h GLY 69 N 0.00 0.13 -1.75 2.72 0.00 -2.03 -3.45 103.07 98.70 2wrj h GLY 69 Ca 0.00 -0.07 -0.51 0.00 0.00 0.00 0.00 47.33 46.75 2wrj h GLY 69 CO 0.00 0.07 0.38 0.14 0.00 0.00 0.00 176.54 177.13 2wrj s VAL 70 N -5.53 3.26 -0.10 4.60 1.01 -1.09 -5.05 120.40 117.50 2wrj s VAL 70 Ca -0.14 0.61 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 2wrj s VAL 70 Cb 0.06 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2wrj s VAL 70 CO 0.68 -0.34 -0.01 -0.83 0.00 0.00 0.00 175.10 174.61 2wrj s GLY 71 N -2.49 1.82 0.01 4.51 0.00 -1.26 0.55 107.32 110.46 2wrj s GLY 71 Ca 0.67 -0.81 0.08 0.00 0.00 0.00 0.00 44.72 44.66 2wrj s GLY 71 CO 0.39 -0.46 -0.23 0.14 0.00 0.00 0.00 173.10 172.94 2wrj s VAL 72 N -0.60 1.86 -0.03 1.40 1.01 1.11 -4.88 120.40 120.27 2wrj s VAL 72 Ca 0.10 -1.12 0.07 0.00 0.00 0.00 0.00 61.98 61.02 2wrj s VAL 72 Cb -0.12 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2wrj s VAL 72 CO 0.02 0.42 -0.24 -1.61 0.00 0.00 0.00 175.10 173.68 2wrj s GLU 73 N -0.84 2.14 -0.08 2.72 2.02 -1.26 0.99 118.70 124.39 2wrj s GLU 73 Ca 0.09 -0.87 0.02 0.00 0.02 0.00 0.00 54.97 54.23 2wrj s GLU 73 Cb -0.09 -1.97 0.01 0.00 0.10 0.00 0.00 34.13 32.18 2wrj s GLU 73 CO 0.00 0.47 -0.12 1.03 0.02 0.00 0.00 175.26 176.67 2wrj s ARG 74 N -0.42 1.74 -0.22 1.61 1.81 0.51 -4.93 118.95 119.04 2wrj s ARG 74 Ca 0.05 -0.41 -0.07 0.00 -1.72 0.00 0.00 55.73 53.58 2wrj s ARG 74 Cb -0.11 -1.49 -0.03 0.00 -0.45 0.00 0.00 34.95 32.87 2wrj s ARG 74 CO 0.01 -0.03 0.05 0.42 -0.68 0.00 0.00 175.30 175.07 2wrj s ILE 75 N 0.85 4.38 -0.02 1.52 1.09 -1.26 -0.22 121.20 127.55 2wrj s ILE 75 Ca -0.11 -0.16 0.05 0.00 -1.10 0.00 0.00 60.65 59.33 2wrj s ILE 75 Cb -0.15 -3.01 -0.03 0.00 -1.06 0.00 0.00 42.46 38.21 2wrj s ILE 75 CO 0.01 0.39 -0.15 -0.36 -0.10 0.00 0.00 174.94 174.73 2wrj s PHE 76 N 1.14 2.65 -1.53 3.97 2.99 0.57 -4.93 117.98 122.84 2wrj s PHE 76 Ca 0.04 -0.19 0.13 0.00 0.00 0.00 0.00 56.93 56.91 2wrj s PHE 76 Cb -0.14 -1.57 0.69 0.00 0.00 0.00 0.00 43.02 42.00 2wrj s PHE 76 CO 0.03 0.21 1.32 -2.30 -0.00 0.00 0.00 175.22 174.48 2wrj n PRO 77 N 2.01 0.23 -0.76 0.24 -0.02 -1.26 -1.77 135.00 133.68 2wrj n PRO 77 Ca -0.17 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2wrj n PRO 77 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 2wrj n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2wrj n LEU 78 N -1.24 0.53 -3.96 2.45 0.00 -1.25 -4.18 117.00 109.35 2wrj n LEU 78 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 55.98 2wrj n LEU 78 Cb 0.10 -0.85 -0.06 0.00 0.00 0.00 0.00 43.42 42.61 2wrj n LEU 78 CO 0.10 -0.28 0.08 -1.00 0.00 0.00 0.00 177.39 176.28 2wrj s HIS 79 N -2.35 0.37 0.00 1.96 3.76 -1.26 -4.85 115.29 112.92 2wrj s HIS 79 Ca 0.00 -0.72 0.00 0.00 -0.15 0.00 0.00 55.06 54.19 2wrj s HIS 79 Cb 0.00 0.06 0.00 0.00 1.11 0.00 0.00 32.58 33.75 2wrj s HIS 79 CO 0.00 -0.84 0.00 0.45 -0.85 0.00 0.00 174.74 173.50 2wrj n SER 80 N -0.30 0.00 -2.92 1.40 2.88 -1.26 -4.68 113.62 108.74 2wrj n SER 80 Ca -0.05 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.09 2wrj n SER 80 Cb 0.63 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.13 2wrj n SER 80 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2wrj n PRO 81 N 0.00 2.77 -4.01 -1.46 -0.04 -1.26 -4.87 135.00 126.14 2wrj n PRO 81 Ca 0.00 -3.51 -0.33 0.00 -0.04 0.00 0.00 63.50 59.62 2wrj n PRO 81 Cb 0.00 -2.27 -0.15 0.00 -0.04 0.00 0.00 33.50 31.04 2wrj n PRO 81 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wrj s LEU 82 N -4.05 3.81 0.06 1.53 1.02 -1.26 -3.50 118.68 116.29 2wrj s LEU 82 Ca 0.52 -1.49 -0.29 0.00 0.02 0.00 0.00 54.13 52.88 2wrj s LEU 82 Cb 0.44 -1.61 -0.15 0.00 0.02 0.00 0.00 46.19 44.89 2wrj s LEU 82 CO -0.41 -0.25 1.45 0.16 0.02 0.00 0.00 176.35 177.32 2wrj h ILE 83 N 6.66 0.00 -3.42 -0.59 3.07 -1.88 -3.46 117.51 117.88 2wrj h ILE 83 Ca -0.17 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.24 2wrj h ILE 83 Cb 1.04 0.00 -0.00 0.00 -0.27 0.00 0.00 36.82 37.59 2wrj h ILE 83 CO 0.50 0.00 -0.00 0.00 -1.05 0.00 0.00 178.15 177.59 2wrj n GLN 84 N -4.91 1.42 -1.00 0.16 10.64 -1.26 -5.08 117.38 117.35 2wrj n GLN 84 Ca -0.11 -0.01 -0.06 0.00 -1.83 0.00 0.00 57.00 54.99 2wrj n GLN 84 Cb 0.39 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.71 2wrj n GLN 84 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2wrj n LYS 85 N -0.00 0.04 -1.41 2.61 5.02 -1.26 -4.31 118.16 118.85 2wrj n LYS 85 Ca -0.00 -0.91 -0.38 0.00 -2.02 0.00 0.00 58.31 55.01 2wrj n LYS 85 Cb 0.00 0.50 0.04 0.00 -0.02 0.00 0.00 35.03 35.55 2wrj n LYS 85 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2wrj n ILE 86 N -0.04 2.01 -4.43 -0.18 3.06 -1.26 -4.64 119.36 113.87 2wrj n ILE 86 Ca -0.25 -0.48 -0.26 0.00 -2.50 0.00 0.00 62.75 59.26 2wrj n ILE 86 Cb 0.66 -0.64 -0.11 0.00 0.54 0.00 0.00 39.64 40.09 2wrj n ILE 86 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 2wrj s ASP 87 N -1.21 3.40 0.00 9.51 -4.77 -1.26 -3.37 116.67 118.97 2wrj s ASP 87 Ca 0.67 -0.91 0.00 0.00 -3.30 0.00 0.00 52.55 49.01 2wrj s ASP 87 Cb -0.43 -0.26 0.00 0.00 -1.09 0.00 0.00 42.92 41.15 2wrj s ASP 87 CO 0.56 0.09 0.00 -0.38 0.70 0.00 0.00 175.17 176.14 2wrj n ILE 88 N 0.04 0.00 -3.84 2.11 2.08 -1.11 -4.93 119.36 113.72 2wrj n ILE 88 Ca -0.11 0.00 -0.36 0.00 0.56 0.00 0.00 62.75 62.85 2wrj n ILE 88 Cb 0.57 0.00 -0.13 0.00 -0.75 0.00 0.00 39.64 39.33 2wrj n ILE 88 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 2wrj s VAL 89 N 0.26 3.16 -1.22 1.39 1.01 -1.14 -4.93 120.40 118.93 2wrj s VAL 89 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.28 2wrj s VAL 89 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.39 2wrj s VAL 89 CO 0.00 -0.39 0.64 0.00 0.00 0.00 0.00 175.10 175.35 2wrj n GLN 90 N 4.61 0.00 0.00 2.72 6.02 -1.26 -3.37 117.38 126.10 2wrj n GLN 90 Ca -0.08 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 2wrj n GLN 90 Cb 0.43 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 30.14 2wrj n GLN 90 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wrj n ARG 91 N -1.14 0.00 0.00 -1.09 1.74 -1.26 -4.19 116.66 110.72 2wrj n ARG 91 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wrj n ARG 91 Cb 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.49 2wrj n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrj n GLY 92 N -0.25 0.35 2.79 -0.13 0.00 -1.26 -2.82 105.19 103.87 2wrj n GLY 92 Ca 0.00 0.68 -0.08 0.00 0.00 0.00 0.00 46.02 46.62 2wrj n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj n ARG 93 N 0.00 -1.78 -1.59 1.61 5.12 -1.26 -4.17 116.66 114.58 2wrj n ARG 93 Ca 0.00 0.74 -0.46 0.00 -1.93 0.00 0.00 57.85 56.20 2wrj n ARG 93 Cb 0.00 -5.13 -0.04 0.00 -1.16 0.00 0.00 32.46 26.12 2wrj n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wrj n ALA 94 N 1.07 1.36 1.65 7.54 0.00 -1.26 -4.80 120.51 126.07 2wrj n ALA 94 Ca -0.08 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.41 2wrj n ALA 94 Cb 0.54 -2.70 0.41 0.00 0.00 0.00 0.00 19.45 17.71 2wrj n ALA 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wrj n ARG 95 N 7.96 0.82 -3.78 0.00 5.12 -1.26 -4.81 116.66 120.72 2wrj n ARG 95 Ca 0.30 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 56.12 2wrj n ARG 95 Cb 0.35 -1.26 -0.07 0.00 -1.16 0.00 0.00 32.46 30.32 2wrj n ARG 95 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2wrj s ARG 96 N -2.00 0.86 0.00 5.56 1.70 -1.26 -5.12 118.95 118.69 2wrj s ARG 96 Ca 0.21 -0.72 0.00 0.00 -0.47 0.00 0.00 55.73 54.75 2wrj s ARG 96 Cb 0.09 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.84 2wrj s ARG 96 CO 0.16 -0.28 0.27 0.00 -1.08 0.00 0.00 175.30 174.37 2wrj n ALA 97 N 0.22 0.00 -2.48 7.88 0.00 -1.26 -4.61 120.51 120.26 2wrj n ALA 97 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.88 2wrj n ALA 97 Cb 0.61 0.07 -0.06 0.00 0.00 0.00 0.00 19.45 20.08 2wrj n ALA 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wrj s LYS 98 N -0.55 4.31 -0.56 0.00 3.01 -1.26 -4.92 119.74 119.77 2wrj s LYS 98 Ca 0.00 0.73 0.05 0.00 -1.01 0.00 0.00 55.97 55.74 2wrj s LYS 98 Cb 0.00 -3.34 0.20 0.00 -1.01 0.00 0.00 37.83 33.68 2wrj s LYS 98 CO 0.00 0.38 0.51 1.47 0.51 0.00 0.00 175.35 178.22 2wrj n LEU 99 N 2.67 1.70 0.18 3.17 -0.00 -1.04 -4.86 117.00 118.82 2wrj n LEU 99 Ca -0.07 -4.93 0.09 0.00 -0.00 0.00 0.00 56.01 51.10 2wrj n LEU 99 Cb 0.51 -0.13 0.10 0.00 -0.00 0.00 0.00 43.42 43.90 2wrj n LEU 99 CO 0.43 1.90 0.58 1.88 -0.00 0.00 0.00 177.39 182.18 2wrj h TYR 100 N 4.98 0.00 0.00 1.47 -1.99 -1.97 -3.32 116.97 116.14 2wrj h TYR 100 Ca 0.18 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.91 2wrj h TYR 100 Cb 0.80 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.53 2wrj h TYR 100 CO 0.52 0.15 0.47 0.27 -0.00 0.00 0.00 178.16 179.57 2wrj h PHE 101 N 0.00 0.00 -0.02 4.88 -0.00 -1.98 0.55 116.94 120.37 2wrj h PHE 101 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.97 57.82 2wrj h PHE 101 Cb 1.12 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 37.06 2wrj h PHE 101 CO 0.00 0.00 -0.62 -0.84 -0.00 0.00 0.00 178.31 176.85 2wrj h ILE 102 N 0.00 1.43 0.00 0.88 3.07 -1.83 -3.33 117.51 117.73 2wrj h ILE 102 Ca 0.00 -2.10 0.00 0.00 1.55 0.00 0.00 64.86 64.31 2wrj h ILE 102 Cb 0.93 2.11 0.00 0.00 -0.27 0.00 0.00 36.82 39.60 2wrj h ILE 102 CO 0.00 0.60 0.00 0.54 -1.05 0.00 0.00 178.15 178.24 2wrj n ARG 103 N -3.82 0.00 0.00 0.16 1.74 0.19 -3.84 116.66 111.09 2wrj n ARG 103 Ca -0.02 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 2wrj n ARG 103 Cb 0.62 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 2wrj n ARG 103 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wrj n ASN 104 N -1.58 0.00 -4.55 0.55 3.02 -1.25 -4.27 115.26 107.18 2wrj n ASN 104 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.20 2wrj n ASN 104 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2wrj n ASN 104 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wrj s LEU 105 N 0.00 3.31 0.06 3.41 1.43 -1.25 -4.90 118.68 120.74 2wrj s LEU 105 Ca 0.00 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2wrj s LEU 105 Cb 0.00 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 2wrj s LEU 105 CO 0.00 -2.78 -0.05 -0.94 0.23 0.00 0.00 176.35 172.81 2wrj s SER 106 N 10.45 0.73 0.00 2.29 1.04 -1.25 -4.66 113.70 122.30 2wrj s SER 106 Ca 0.85 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2wrj s SER 106 Cb -0.15 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.08 2wrj s SER 106 CO 0.21 -0.39 0.00 -0.90 0.98 0.00 0.00 173.24 173.14 2wrj n ASP 107 N 0.73 0.00 -0.09 7.02 5.75 -1.26 -4.84 116.55 123.86 2wrj n ASP 107 Ca -0.18 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.49 2wrj n ASP 107 Cb 0.58 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.57 2wrj n ASP 107 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2wrj n ARG 108 N 0.00 0.92 -0.24 0.11 1.85 -1.26 -4.34 116.66 113.71 2wrj n ARG 108 Ca 0.00 0.06 0.03 0.00 -1.00 0.00 0.00 57.85 56.94 2wrj n ARG 108 Cb 0.00 -1.38 0.26 0.00 -1.05 0.00 0.00 32.46 30.30 2wrj n ARG 108 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2wrj h GLU 109 N 0.00 0.95 -0.65 2.89 5.08 -1.93 0.58 114.58 121.50 2wrj h GLU 109 Ca -0.41 -0.06 0.13 0.00 -1.00 0.00 0.00 59.36 58.02 2wrj h GLU 109 Cb 1.75 -0.21 -0.09 0.00 0.50 0.00 0.00 28.75 30.69 2wrj h GLU 109 CO -0.03 0.63 0.16 0.82 -1.00 0.00 0.00 179.01 179.58 2wrj h ILE 110 N 0.98 0.61 -0.31 3.13 1.08 -1.83 0.31 117.51 121.48 2wrj h ILE 110 Ca 0.32 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.67 2wrj h ILE 110 Cb 0.04 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 34.09 2wrj h ILE 110 CO -0.09 0.05 0.02 -2.11 -0.69 0.00 0.00 178.15 175.33 2wrj n ARG 111 N -5.12 2.90 0.00 2.37 1.85 0.13 -1.82 116.66 116.97 2wrj n ARG 111 Ca 0.11 -1.60 0.00 0.00 -1.00 0.00 0.00 57.85 55.35 2wrj n ARG 111 Cb 0.36 -1.87 0.00 0.00 -1.05 0.00 0.00 32.46 29.90 2wrj n ARG 111 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2wrj n ARG 112 N 0.27 4.06 -0.03 2.89 1.85 0.67 -4.58 116.66 121.79 2wrj n ARG 112 Ca 0.15 -0.04 0.02 0.00 -1.00 0.00 0.00 57.85 56.98 2wrj n ARG 112 Cb 0.76 -0.40 -0.13 0.00 -1.05 0.00 0.00 32.46 31.64 2wrj n ARG 112 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2wrj n LYS 113 N -0.59 0.86 -3.47 2.89 4.76 0.75 -4.62 118.16 118.74 2wrj n LYS 113 Ca 0.00 -0.10 -0.28 0.00 -2.87 0.00 0.00 58.31 55.06 2wrj n LYS 113 Cb 0.01 -1.41 -0.08 0.00 -1.84 0.00 0.00 35.03 31.71 2wrj n LYS 113 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2wrj n LEU 114 N -2.28 3.86 -4.86 -0.35 4.77 -0.75 -4.82 117.00 112.58 2wrj n LEU 114 Ca -0.12 -5.39 -0.29 0.00 -0.03 0.00 0.00 56.01 50.18 2wrj n LEU 114 Cb 0.66 -0.73 0.10 0.00 -2.33 0.00 0.00 43.42 41.12 2wrj n LEU 114 CO 0.35 1.98 0.76 -0.13 -1.33 0.00 0.00 177.39 179.02 2wrj s ARG 115 N -2.34 1.83 0.93 3.23 1.81 -1.26 -4.71 118.95 118.44 2wrj s ARG 115 Ca 0.37 0.25 -0.10 0.00 -1.72 0.00 0.00 55.73 54.53 2wrj s ARG 115 Cb 0.11 -1.92 0.16 0.00 -0.45 0.00 0.00 34.95 32.84 2wrj s ARG 115 CO -0.03 -1.72 1.14 0.00 -0.68 0.00 0.00 175.30 174.02 2wrj n ALA 116 N -3.43 -0.92 -3.29 2.13 0.00 -1.26 -4.02 120.51 109.73 2wrj n ALA 116 Ca 0.07 -0.59 -0.25 0.00 0.00 0.00 0.00 53.44 52.67 2wrj n ALA 116 Cb 0.60 -2.19 -0.07 0.00 0.00 0.00 0.00 19.45 17.79 2wrj n ALA 116 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wrj n ASP 117 N -4.29 2.22 -0.37 0.00 2.03 -1.13 -4.77 116.55 110.24 2wrj n ASP 117 Ca 0.12 -3.14 0.35 0.00 0.52 0.00 0.00 54.79 52.64 2wrj n ASP 117 Cb 0.52 -0.65 0.62 0.00 -0.72 0.00 0.00 41.12 40.89 2wrj n ASP 117 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2wrj n ARG 118 N 0.97 -0.05 -0.33 -0.67 1.74 -1.26 0.16 116.66 117.22 2wrj n ARG 118 Ca 0.26 1.33 0.13 0.00 -0.77 0.00 0.00 57.85 58.80 2wrj n ARG 118 Cb 0.47 -2.46 0.26 0.00 -1.02 0.00 0.00 32.46 29.71 2wrj n ARG 118 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2wrj h LYS 119 N 0.00 0.03 0.00 5.56 3.64 -1.97 1.47 116.57 125.29 2wrj h LYS 119 Ca 0.86 -0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.96 2wrj h LYS 119 Cb 2.44 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 34.20 2wrj h LYS 119 CO -0.66 0.02 -1.69 0.54 -2.27 0.00 0.00 179.45 175.39 2wrj n ARG 120 N -5.47 0.63 0.27 1.90 1.74 0.12 -3.43 116.66 112.43 2wrj n ARG 120 Ca 0.21 0.27 -0.13 0.00 -0.77 0.00 0.00 57.85 57.43 2wrj n ARG 120 Cb 0.70 -1.79 -0.07 0.00 -1.02 0.00 0.00 32.46 30.28 2wrj n ARG 120 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2wrj h ILE 121 N 0.00 0.00 -0.04 0.55 2.04 0.14 -2.30 117.51 117.90 2wrj h ILE 121 Ca -0.27 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.60 2wrj h ILE 121 Cb 1.95 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 2wrj h ILE 121 CO 0.07 0.00 -0.41 0.44 0.00 0.00 0.00 178.15 178.25 2wrj h ASP 122 N -0.80 -1.28 0.00 1.72 3.32 0.15 -0.89 116.42 118.64 2wrj h ASP 122 Ca -0.06 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2wrj h ASP 122 Cb 0.65 0.49 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2wrj h ASP 122 CO 0.04 -0.39 0.44 0.06 -1.72 0.00 0.00 179.24 177.66 2wrj h GLN 123 N -0.49 0.00 0.20 3.56 3.07 -1.57 0.22 115.11 120.11 2wrj h GLN 123 Ca 0.01 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.41 2wrj h GLN 123 Cb 0.54 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.12 2wrj h GLN 123 CO -0.30 0.00 -1.68 -0.44 0.09 0.00 0.00 178.83 176.51 2wrj h ASP 124 N 0.00 0.67 -0.21 0.06 5.19 -0.57 -2.45 116.42 119.10 2wrj h ASP 124 Ca 0.00 -0.91 0.00 0.00 -0.62 0.00 0.00 57.03 55.50 2wrj h ASP 124 Cb 0.87 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 2wrj h ASP 124 CO 0.00 1.76 0.14 0.03 -3.12 0.00 0.00 179.24 178.04 2wrj h ARG 125 N 0.12 0.28 -0.66 3.56 2.47 -0.17 -1.52 114.38 118.45 2wrj h ARG 125 Ca -0.32 -0.02 0.12 0.00 -1.26 0.00 0.00 59.98 58.50 2wrj h ARG 125 Cb 2.12 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 30.33 2wrj h ARG 125 CO 0.20 0.19 0.44 0.00 0.56 0.00 0.00 179.97 181.37 2wrj h ALA 126 N 1.07 2.07 0.00 0.04 0.00 -1.31 0.20 119.26 121.34 2wrj h ALA 126 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wrj h ALA 126 Cb -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2wrj h ALA 126 CO -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.00 2wrj n ALA 127 N -2.52 1.82 0.23 0.00 0.00 -0.57 -3.46 120.51 116.00 2wrj n ALA 127 Ca 0.12 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.74 2wrj n ALA 127 Cb 0.44 -1.00 0.86 0.00 0.00 0.00 0.00 19.45 19.75 2wrj n ALA 127 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2wrj h GLU 128 N 0.39 0.00 -2.81 0.00 -0.00 -0.66 -3.45 114.58 108.04 2wrj h GLU 128 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.26 2wrj h GLU 128 Cb 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.93 2wrj h GLU 128 CO 0.00 0.00 -0.10 -2.13 -0.00 0.00 0.00 179.01 176.78 2wrj n ARG 129 N -3.47 -1.70 0.00 1.06 0.00 -1.22 -4.77 116.66 106.55 2wrj n ARG 129 Ca 0.01 0.26 0.00 0.00 -0.00 0.00 0.00 57.85 58.13 2wrj n ARG 129 Cb 0.37 -4.52 0.00 0.00 0.00 0.00 0.00 32.46 28.31 2wrj n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wrj n ALA 130 N -1.18 1.02 -2.97 5.13 0.00 -1.26 -3.65 120.51 117.60 2wrj n ALA 130 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 2wrj n ALA 130 Cb 0.30 -2.14 0.01 0.00 0.00 0.00 0.00 19.45 17.62 2wrj n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrj n ALA 131 N 2.82 0.57 -1.00 0.00 0.00 -1.26 -5.10 120.51 116.54 2wrj n ALA 131 Ca 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 53.44 51.02 2wrj n ALA 131 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2wrj n ALA 131 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wrj n LYS 132 N 0.89 0.00 -2.08 0.00 0.00 -1.24 -5.02 118.16 110.72 2wrj n LYS 132 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 2wrj n LYS 132 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.66 2wrj n LYS 132 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2wrj n GLU 133 N 0.00 -4.61 -3.68 -1.58 1.02 -1.26 -5.09 120.64 105.44 2wrj n GLU 133 Ca 0.00 3.26 -0.09 0.00 -0.02 0.00 0.00 57.16 60.31 2wrj n GLU 133 Cb 0.00 -3.74 -0.10 0.00 -0.02 0.00 0.00 31.44 27.58 2wrj n GLU 133 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2wrj s GLU 134 N -0.45 0.49 0.00 3.49 2.02 -1.26 -5.01 118.70 117.99 2wrj s GLU 134 Ca 0.00 0.93 0.00 0.00 0.02 0.00 0.00 54.97 55.92 2wrj s GLU 134 Cb 0.00 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.27 2wrj s GLU 134 CO 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 175.26 175.12 2wrj n ALA 135 N 4.30 0.00 -0.04 5.21 0.00 -1.26 -5.03 120.51 123.70 2wrj n ALA 135 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.13 2wrj n ALA 135 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 2wrj n ALA 135 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2wrj h GLN 136 N 0.00 0.03 -5.16 0.00 5.75 -2.05 -3.44 115.11 110.24 2wrj h GLN 136 Ca 0.00 -0.00 -0.56 0.00 -0.15 0.00 0.00 58.65 57.93 2wrj h GLN 136 Cb 0.00 -0.01 -0.13 0.00 1.07 0.00 0.00 27.48 28.41 2wrj h GLN 136 CO 0.00 0.02 -0.55 0.21 -2.65 0.00 0.00 178.83 175.87 2wrj s LYS 137 N -6.20 1.91 0.00 1.69 2.20 -1.26 -5.36 119.74 112.73 2wrj s LYS 137 Ca -0.13 -2.15 0.00 0.00 -0.36 0.00 0.00 55.97 53.33 2wrj s LYS 137 Cb 0.10 -0.94 0.00 0.00 -1.51 0.00 0.00 37.83 35.48 2wrj s LYS 137 CO 0.68 -0.35 0.00 0.00 -0.36 0.00 0.00 175.35 175.33