#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj s ILE 2 N 0.00 3.57 0.04 2.02 -1.09 -0.76 -4.89 121.20 120.09 2wrj s ILE 2 Ca 0.00 -0.59 -0.14 0.00 -2.23 0.00 0.00 60.65 57.69 2wrj s ILE 2 Cb 0.00 -2.47 0.02 0.00 -1.58 0.00 0.00 42.46 38.43 2wrj s ILE 2 CO 0.00 0.55 0.30 0.00 -1.23 0.00 0.00 174.94 174.56 2wrj s GLN 3 N -0.93 0.81 -0.21 2.79 -2.07 -1.26 -0.56 119.66 118.22 2wrj s GLN 3 Ca 0.13 -0.51 -0.41 0.00 -1.82 0.00 0.00 55.36 52.75 2wrj s GLN 3 Cb -0.11 0.35 -0.17 0.00 -1.09 0.00 0.00 33.01 31.99 2wrj s GLN 3 CO 0.02 -0.26 1.53 -0.35 -1.32 0.00 0.00 175.29 174.92 2wrj n PRO 4 N 0.57 0.72 0.00 9.60 -0.04 -1.26 -0.84 135.00 143.75 2wrj n PRO 4 Ca -0.19 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2wrj n PRO 4 Cb 0.59 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 2wrj n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2wrj n GLN 5 N 3.91 0.00 -2.60 0.54 -0.06 -0.73 -4.96 117.38 113.47 2wrj n GLN 5 Ca 0.25 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.84 2wrj n GLN 5 Cb 0.09 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.22 2wrj n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2wrj s THR 6 N -2.14 3.89 0.11 1.69 2.01 -0.02 -4.72 115.64 116.46 2wrj s THR 6 Ca 0.00 1.78 -0.15 0.00 0.31 0.00 0.00 61.69 63.63 2wrj s THR 6 Cb 0.00 -4.13 -0.07 0.00 0.01 0.00 0.00 72.50 68.31 2wrj s THR 6 CO 0.00 0.38 0.52 -0.31 -0.69 0.00 0.00 174.62 174.52 2wrj s TYR 7 N -0.78 3.66 -0.02 4.92 1.51 -1.26 0.25 117.35 125.63 2wrj s TYR 7 Ca 0.45 1.07 0.07 0.00 -1.01 0.00 0.00 57.07 57.65 2wrj s TYR 7 Cb -0.28 -2.37 -0.02 0.00 -0.11 0.00 0.00 41.96 39.18 2wrj s TYR 7 CO 0.35 0.49 -0.22 -0.51 -1.11 0.00 0.00 175.55 174.56 2wrj s LEU 8 N -1.69 2.04 0.01 -1.29 2.01 0.18 -4.84 118.68 115.09 2wrj s LEU 8 Ca 0.34 -0.39 -0.30 0.00 0.01 0.00 0.00 54.13 53.79 2wrj s LEU 8 Cb -0.16 -1.11 -0.04 0.00 0.01 0.00 0.00 46.19 44.89 2wrj s LEU 8 CO 0.18 0.26 1.10 -0.70 1.01 0.00 0.00 176.35 178.20 2wrj s GLU 9 N -0.49 4.47 -0.15 1.70 2.56 0.21 -2.45 118.70 124.54 2wrj s GLU 9 Ca 0.08 1.59 -0.20 0.00 0.00 0.00 0.00 54.97 56.43 2wrj s GLU 9 Cb -0.08 -3.44 -0.03 0.00 2.00 0.00 0.00 34.13 32.58 2wrj s GLU 9 CO -0.01 -0.21 0.59 0.14 -0.56 0.00 0.00 175.26 175.21 2wrj s VAL 10 N 1.28 5.08 -0.89 3.70 -7.23 -1.26 -1.76 120.40 119.33 2wrj s VAL 10 Ca 0.55 1.14 0.00 0.00 -1.81 0.00 0.00 61.98 61.86 2wrj s VAL 10 Cb -0.24 -3.91 0.28 0.00 0.56 0.00 0.00 36.38 33.06 2wrj s VAL 10 CO 0.27 0.21 1.13 0.00 -0.31 0.00 0.00 175.10 176.39 2wrj n ALA 11 N 4.40 4.62 -3.65 1.32 0.00 -0.09 -4.89 120.51 122.22 2wrj n ALA 11 Ca -0.03 -4.78 -0.02 0.00 0.00 0.00 0.00 53.44 48.61 2wrj n ALA 11 Cb 0.51 -1.70 -0.04 0.00 0.00 0.00 0.00 19.45 18.22 2wrj n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2wrj s ASP 12 N -1.93 -0.02 0.00 0.00 3.84 -1.26 -2.74 116.67 114.56 2wrj s ASP 12 Ca 0.34 0.01 0.00 0.00 -0.00 0.00 0.00 52.55 52.91 2wrj s ASP 12 Cb 0.08 0.01 0.00 0.00 -1.38 0.00 0.00 42.92 41.63 2wrj s ASP 12 CO 0.04 -0.02 0.61 -0.46 -0.00 0.00 0.00 175.17 175.34 2wrj n ASN 13 N 0.42 1.77 0.26 2.11 0.23 -1.25 -4.13 115.26 114.67 2wrj n ASN 13 Ca 0.01 -1.33 0.15 0.00 -0.53 0.00 0.00 54.58 52.89 2wrj n ASN 13 Cb 0.59 -0.33 0.81 0.00 -2.08 0.00 0.00 39.78 38.77 2wrj n ASN 13 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2wrj h THR 14 N 0.28 0.00 0.00 5.53 2.02 -1.88 -3.46 112.91 115.40 2wrj h THR 14 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2wrj h THR 14 Cb 0.61 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2wrj h THR 14 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2wrj n GLY 15 N -1.21 3.28 3.68 2.16 0.00 -1.26 -3.02 105.19 108.82 2wrj n GLY 15 Ca -0.02 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.73 2wrj n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrj s ALA 16 N -0.06 1.50 0.00 4.61 0.00 -1.26 -1.51 121.76 125.05 2wrj s ALA 16 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2wrj s ALA 16 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2wrj s ALA 16 CO 0.00 -2.73 0.17 0.54 0.00 0.00 0.00 175.76 173.74 2wrj n ARG 17 N -4.20 0.38 0.00 0.00 5.12 -0.24 -4.73 116.66 112.99 2wrj n ARG 17 Ca 0.12 -0.17 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 2wrj n ARG 17 Cb 0.52 -0.60 0.00 0.00 -1.16 0.00 0.00 32.46 31.22 2wrj n ARG 17 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2wrj n LYS 18 N -0.10 0.00 -4.16 5.56 5.02 -1.20 -4.33 118.16 118.96 2wrj n LYS 18 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 2wrj n LYS 18 Cb 0.11 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.00 2wrj n LYS 18 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2wrj s ILE 19 N 0.00 0.93 -0.08 -0.18 -4.36 -1.03 -1.38 121.20 115.11 2wrj s ILE 19 Ca 0.00 -1.19 -0.03 0.00 -0.26 0.00 0.00 60.65 59.17 2wrj s ILE 19 Cb 0.00 -0.92 -0.04 0.00 1.25 0.00 0.00 42.46 42.76 2wrj s ILE 19 CO 0.00 -0.24 0.08 -0.32 0.24 0.00 0.00 174.94 174.70 2wrj s MET 20 N -1.60 3.19 0.48 0.37 -2.45 -0.50 0.47 119.30 119.25 2wrj s MET 20 Ca -0.04 -0.32 -0.22 0.00 -1.25 0.00 0.00 55.69 53.86 2wrj s MET 20 Cb -0.10 -2.97 -0.07 0.00 1.25 0.00 0.00 34.83 32.95 2wrj s MET 20 CO 0.02 0.72 1.19 0.00 1.05 0.00 0.00 175.02 177.99 2wrj n ILE 22 N -0.63 0.00 0.00 0.00 2.08 0.15 -1.78 119.36 119.18 2wrj n ILE 22 Ca 0.08 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.39 2wrj n ILE 22 Cb 0.48 0.08 0.00 0.00 -0.75 0.00 0.00 39.64 39.44 2wrj n ILE 22 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 2wrj n ARG 23 N -1.62 0.00 -3.49 0.38 1.85 -1.10 -4.74 116.66 107.94 2wrj n ARG 23 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 2wrj n ARG 23 Cb 0.14 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.49 2wrj n ARG 23 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2wrj s VAL 24 N -2.00 5.14 -0.83 8.89 -7.23 -1.26 -1.11 120.40 122.00 2wrj s VAL 24 Ca 0.00 0.78 -0.05 0.00 -1.81 0.00 0.00 61.98 60.90 2wrj s VAL 24 Cb 0.00 -3.70 0.09 0.00 0.56 0.00 0.00 36.38 33.32 2wrj s VAL 24 CO 0.00 0.49 2.60 0.18 -0.31 0.00 0.00 175.10 178.06 2wrj n LEU 25 N 2.57 7.15 0.00 1.32 4.77 -0.13 -4.70 117.00 127.98 2wrj n LEU 25 Ca -0.12 -4.43 0.00 0.00 -0.03 0.00 0.00 56.01 51.43 2wrj n LEU 25 Cb 0.52 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 2wrj n LEU 25 CO 0.39 1.88 0.00 1.17 -1.33 0.00 0.00 177.39 179.50 2wrj n LYS 26 N 1.24 0.00 0.00 3.23 3.00 -1.26 -4.74 118.16 119.63 2wrj n LYS 26 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.86 2wrj n LYS 26 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.45 2wrj n LYS 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wrj n GLY 27 N 3.91 1.93 1.09 3.14 0.00 -1.26 -4.98 105.19 109.01 2wrj n GLY 27 Ca 0.00 -1.17 0.11 0.00 0.00 0.00 0.00 46.02 44.97 2wrj n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wrj n SER 28 N 0.00 3.36 -2.45 1.61 3.41 -1.26 -4.63 113.62 113.67 2wrj n SER 28 Ca 0.00 -1.96 -0.03 0.00 -0.26 0.00 0.00 58.87 56.62 2wrj n SER 28 Cb 0.00 -0.24 -0.00 0.00 -0.26 0.00 0.00 64.21 63.71 2wrj n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2wrj n ASN 29 N 1.39 -0.98 -4.73 4.04 0.23 -1.26 -5.13 115.26 108.82 2wrj n ASN 29 Ca 0.18 -1.59 -0.41 0.00 -0.53 0.00 0.00 54.58 52.23 2wrj n ASN 29 Cb 0.58 0.81 -0.03 0.00 -2.08 0.00 0.00 39.78 39.05 2wrj n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wrj s ALA 30 N 0.04 3.48 0.06 -2.53 0.00 -1.26 -4.95 121.76 116.59 2wrj s ALA 30 Ca 0.04 1.00 -0.16 0.00 0.00 0.00 0.00 51.96 52.84 2wrj s ALA 30 Cb 0.08 -3.46 -0.22 0.00 0.00 0.00 0.00 23.12 19.52 2wrj s ALA 30 CO -0.02 -0.47 1.18 0.87 0.00 0.00 0.00 175.76 177.33 2wrj h LYS 31 N 5.80 0.63 0.00 0.00 1.57 -1.98 -3.45 116.57 119.13 2wrj h LYS 31 Ca -0.44 -0.64 -0.56 0.00 -1.87 0.00 0.00 60.65 57.14 2wrj h LYS 31 Cb 1.21 0.17 -0.13 0.00 0.08 0.00 0.00 32.23 33.57 2wrj h LYS 31 CO 0.78 1.24 -0.49 0.66 -0.57 0.00 0.00 179.45 181.08 2wrj n TYR 32 N -3.99 -0.04 -3.67 -1.35 4.02 -1.26 -4.69 117.16 106.19 2wrj n TYR 32 Ca -0.10 -2.77 -0.13 0.00 -0.01 0.00 0.00 57.90 54.89 2wrj n TYR 32 Cb 0.79 0.05 -0.13 0.00 -0.02 0.00 0.00 39.34 40.03 2wrj n TYR 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wrj s ALA 33 N -3.20 -0.58 0.22 -0.72 0.00 0.27 -4.89 121.76 112.86 2wrj s ALA 33 Ca 0.25 0.96 0.12 0.00 0.00 0.00 0.00 51.96 53.29 2wrj s ALA 33 Cb 0.01 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 2wrj s ALA 33 CO 0.18 -0.63 -0.22 -0.08 0.00 0.00 0.00 175.76 175.01 2wrj s THR 34 N 2.39 2.41 0.00 0.00 -1.32 -1.26 -1.83 115.64 116.02 2wrj s THR 34 Ca 0.01 -2.15 0.00 0.00 -1.21 0.00 0.00 61.69 58.33 2wrj s THR 34 Cb -0.12 -2.19 0.00 0.00 -1.51 0.00 0.00 72.50 68.68 2wrj s THR 34 CO -0.09 -0.21 0.00 0.52 -2.21 0.00 0.00 174.62 172.63 2wrj n VAL 35 N -0.04 0.00 -0.19 5.08 0.31 -1.26 -1.65 118.33 120.58 2wrj n VAL 35 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2wrj n VAL 35 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 2wrj n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wrj n GLY 36 N 0.00 0.60 3.90 2.92 0.00 -0.94 -4.87 105.19 106.80 2wrj n GLY 36 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2wrj n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wrj s ASP 37 N -2.98 6.31 -0.17 1.61 1.01 -0.66 -4.86 116.67 116.93 2wrj s ASP 37 Ca 0.00 0.30 -0.08 0.00 0.71 0.00 0.00 52.55 53.48 2wrj s ASP 37 Cb 0.00 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.93 2wrj s ASP 37 CO 0.00 0.23 0.12 -0.69 0.21 0.00 0.00 175.17 175.04 2wrj s VAL 38 N -1.38 5.30 0.28 -1.27 1.01 -1.26 -1.31 120.40 121.77 2wrj s VAL 38 Ca 0.30 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.50 2wrj s VAL 38 Cb -0.13 -3.38 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 2wrj s VAL 38 CO 0.22 0.50 -0.10 0.27 0.00 0.00 0.00 175.10 175.99 2wrj s ILE 39 N -0.10 1.92 -0.20 2.22 -4.36 -0.50 -0.96 121.20 119.22 2wrj s ILE 39 Ca 0.10 -2.20 -0.06 0.00 -0.26 0.00 0.00 60.65 58.23 2wrj s ILE 39 Cb -0.12 -2.40 -0.03 0.00 1.25 0.00 0.00 42.46 41.16 2wrj s ILE 39 CO 0.00 -0.34 0.03 -0.69 0.24 0.00 0.00 174.94 174.18 2wrj s VAL 40 N -2.84 4.27 -0.01 8.37 1.01 -0.26 -2.19 120.40 128.75 2wrj s VAL 40 Ca 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 2wrj s VAL 40 Cb 0.01 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.47 2wrj s VAL 40 CO 0.12 0.43 0.02 0.00 0.00 0.00 0.00 175.10 175.68 2wrj s ALA 41 N 0.83 -0.04 0.24 5.51 0.00 0.34 0.31 121.76 128.94 2wrj s ALA 41 Ca 0.02 0.09 -0.23 0.00 0.00 0.00 0.00 51.96 51.84 2wrj s ALA 41 Cb -0.14 -0.06 -0.09 0.00 0.00 0.00 0.00 23.12 22.83 2wrj s ALA 41 CO 0.02 -0.02 0.81 0.45 0.00 0.00 0.00 175.76 177.01 2wrj s SER 42 N 0.15 7.25 0.10 0.00 0.15 -0.62 -0.03 113.70 120.70 2wrj s SER 42 Ca -0.01 1.61 -0.27 0.00 0.70 0.00 0.00 55.95 57.98 2wrj s SER 42 Cb -0.02 -2.49 -0.06 0.00 -1.71 0.00 0.00 66.02 61.74 2wrj s SER 42 CO -0.00 0.06 0.84 -0.69 1.20 0.00 0.00 173.24 174.64 2wrj s VAL 43 N -1.44 4.55 -0.16 4.45 1.01 -0.03 -1.42 120.40 127.37 2wrj s VAL 43 Ca 0.43 1.81 0.09 0.00 0.00 0.00 0.00 61.98 64.32 2wrj s VAL 43 Cb -0.19 -4.20 -0.13 0.00 0.00 0.00 0.00 36.38 31.86 2wrj s VAL 43 CO 0.24 0.39 0.27 0.29 0.00 0.00 0.00 175.10 176.28 2wrj n LYS 44 N 2.49 1.53 -3.59 2.72 4.76 -0.48 -2.33 118.16 123.26 2wrj n LYS 44 Ca -0.02 -0.06 -0.10 0.00 -2.87 0.00 0.00 58.31 55.26 2wrj n LYS 44 Cb 0.49 -1.13 -0.06 0.00 -1.84 0.00 0.00 35.03 32.50 2wrj n LYS 44 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2wrj s GLU 45 N -2.39 0.58 0.04 1.97 -1.05 -1.00 -4.95 118.70 111.90 2wrj s GLU 45 Ca -0.01 0.27 -0.24 0.00 -0.15 0.00 0.00 54.97 54.85 2wrj s GLU 45 Cb 0.06 0.28 0.06 0.00 -0.44 0.00 0.00 34.13 34.09 2wrj s GLU 45 CO 0.39 -0.16 0.55 0.00 0.95 0.00 0.00 175.26 176.99 2wrj s ALA 46 N -0.74 -1.42 0.39 -0.84 0.00 -1.26 -1.07 121.76 116.82 2wrj s ALA 46 Ca -0.01 0.69 -0.25 0.00 0.00 0.00 0.00 51.96 52.40 2wrj s ALA 46 Cb -0.02 0.37 -0.09 0.00 0.00 0.00 0.00 23.12 23.39 2wrj s ALA 46 CO -0.00 -0.51 1.07 0.42 0.00 0.00 0.00 175.76 176.74 2wrj s ILE 47 N -2.38 3.60 0.00 0.00 1.01 -0.57 -4.90 121.20 117.97 2wrj s ILE 47 Ca -0.06 1.27 0.00 0.00 0.00 0.00 0.00 60.65 61.87 2wrj s ILE 47 Cb -0.01 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.78 2wrj s ILE 47 CO -0.01 0.05 0.00 -2.65 0.00 0.00 0.00 174.94 172.33 2wrj n PRO 48 N 0.04 0.00 -1.72 2.79 -0.02 -1.26 -4.05 135.00 130.78 2wrj n PRO 48 Ca 0.04 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.13 2wrj n PRO 48 Cb 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.94 2wrj n PRO 48 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2wrj s ARG 49 N 0.00 2.67 0.30 -0.52 3.03 -1.26 -4.90 118.95 118.28 2wrj s ARG 49 Ca 0.00 1.46 0.04 0.00 2.03 0.00 0.00 55.73 59.26 2wrj s ARG 49 Cb 0.00 -4.43 -0.03 0.00 -1.03 0.00 0.00 34.95 29.46 2wrj s ARG 49 CO 0.00 -2.63 0.28 0.20 -1.13 0.00 0.00 175.30 172.02 2wrj s GLY 50 N 9.47 2.01 0.00 3.88 0.00 -1.26 -5.02 107.32 116.40 2wrj s GLY 50 Ca 0.91 -1.90 0.26 0.00 0.00 0.00 0.00 44.72 43.98 2wrj s GLY 50 CO 0.29 -1.38 1.88 0.00 0.00 0.00 0.00 173.10 173.89 2wrj n ALA 51 N -0.54 2.29 -2.98 3.20 0.00 -1.17 -4.75 120.51 116.57 2wrj n ALA 51 Ca 0.05 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 2wrj n ALA 51 Cb 0.63 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.54 2wrj n ALA 51 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wrj s VAL 52 N -2.63 0.11 -0.15 0.00 1.01 -1.20 -5.04 120.40 112.49 2wrj s VAL 52 Ca 0.23 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 2wrj s VAL 52 Cb 0.17 -0.26 0.04 0.00 0.00 0.00 0.00 36.38 36.34 2wrj s VAL 52 CO 0.41 -0.48 0.41 -0.54 0.00 0.00 0.00 175.10 174.90 2wrj s LYS 53 N -1.41 0.47 0.02 2.72 1.02 -1.26 -4.46 119.74 116.84 2wrj s LYS 53 Ca -0.15 0.59 -0.03 0.00 0.02 0.00 0.00 55.97 56.39 2wrj s LYS 53 Cb -0.10 0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 37.40 2wrj s LYS 53 CO -0.01 -0.07 0.06 0.39 -0.92 0.00 0.00 175.35 174.80 2wrj n GLU 54 N 3.01 0.00 0.00 1.68 1.02 -1.26 -2.51 120.64 122.58 2wrj n GLU 54 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2wrj n GLU 54 Cb 0.57 -0.12 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 2wrj n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wrj n GLY 55 N 0.23 3.04 3.69 0.62 0.00 -0.99 -4.97 105.19 106.81 2wrj n GLY 55 Ca 0.02 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 2wrj n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wrj n ASP 56 N 0.44 3.88 -4.54 1.61 10.43 -1.04 -4.54 116.55 122.78 2wrj n ASP 56 Ca 0.00 1.01 -0.43 0.00 2.57 0.00 0.00 54.79 57.94 2wrj n ASP 56 Cb 0.00 -1.52 -0.05 0.00 1.84 0.00 0.00 41.12 41.38 2wrj n ASP 56 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2wrj s VAL 57 N 2.37 4.66 0.36 2.53 1.01 -1.26 -0.85 120.40 129.21 2wrj s VAL 57 Ca 0.81 0.45 0.04 0.00 0.00 0.00 0.00 61.98 63.28 2wrj s VAL 57 Cb -0.53 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 31.48 2wrj s VAL 57 CO 0.38 -0.70 0.05 0.68 0.00 0.00 0.00 175.10 175.51 2wrj s VAL 58 N 3.27 1.26 -0.15 2.92 -7.23 0.96 -4.93 120.40 116.50 2wrj s VAL 58 Ca 0.30 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.43 2wrj s VAL 58 Cb -0.12 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 2wrj s VAL 58 CO 0.22 0.00 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.43 2wrj s LYS 59 N -3.84 3.64 0.06 4.82 1.02 -1.26 0.13 119.74 124.30 2wrj s LYS 59 Ca 0.33 -0.53 0.01 0.00 0.02 0.00 0.00 55.97 55.80 2wrj s LYS 59 Cb 0.08 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 2wrj s LYS 59 CO 0.15 0.25 -0.05 0.00 -0.92 0.00 0.00 175.35 174.78 2wrj s ALA 60 N 0.33 0.61 0.08 5.17 0.00 -0.93 -0.20 121.76 126.83 2wrj s ALA 60 Ca -0.04 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 50.91 2wrj s ALA 60 Cb -0.14 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2wrj s ALA 60 CO 0.03 -0.22 -0.02 0.54 0.00 0.00 0.00 175.76 176.09 2wrj s VAL 61 N -2.88 3.89 0.36 0.00 0.11 0.52 -1.41 120.40 121.00 2wrj s VAL 61 Ca 0.01 -1.00 -0.23 0.00 -2.93 0.00 0.00 61.98 57.83 2wrj s VAL 61 Cb 0.00 -2.84 -0.10 0.00 -1.53 0.00 0.00 36.38 31.92 2wrj s VAL 61 CO -0.05 0.15 0.91 -0.69 -3.33 0.00 0.00 175.10 172.09 2wrj s VAL 62 N -1.27 4.35 0.00 2.04 1.01 -0.43 -1.25 120.40 124.85 2wrj s VAL 62 Ca 0.24 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.80 2wrj s VAL 62 Cb -0.12 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.46 2wrj s VAL 62 CO 0.16 -0.06 0.24 1.33 0.00 0.00 0.00 175.10 176.77 2wrj n VAL 63 N 0.03 0.00 -3.51 2.92 0.24 -1.04 -2.21 118.33 114.76 2wrj n VAL 63 Ca 0.04 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.33 2wrj n VAL 63 Cb 0.52 1.20 -0.05 0.00 -1.47 0.00 0.00 33.84 34.04 2wrj n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2wrj s ARG 64 N 0.00 0.35 0.19 7.34 0.52 -1.26 -3.08 118.95 123.02 2wrj s ARG 64 Ca 0.00 0.77 0.10 0.00 -0.52 0.00 0.00 55.73 56.08 2wrj s ARG 64 Cb 0.00 0.33 -0.04 0.00 0.52 0.00 0.00 34.95 35.76 2wrj s ARG 64 CO 0.00 -0.10 -0.20 0.95 0.02 0.00 0.00 175.30 175.97 2wrj s THR 65 N 2.06 2.08 -0.41 0.02 -4.23 -1.24 -1.64 115.64 112.29 2wrj s THR 65 Ca -0.05 -2.04 0.23 0.00 -1.18 0.00 0.00 61.69 58.65 2wrj s THR 65 Cb -0.06 -2.01 0.25 0.00 1.34 0.00 0.00 72.50 72.03 2wrj s THR 65 CO -0.17 -0.27 1.48 0.50 -0.54 0.00 0.00 174.62 175.62 2wrj h LYS 66 N 3.07 0.00 -5.07 3.99 1.63 -1.72 -2.75 116.57 115.71 2wrj h LYS 66 Ca -0.43 0.00 -0.67 0.00 -0.85 0.00 0.00 60.65 58.69 2wrj h LYS 66 Cb 1.21 0.00 -0.17 0.00 -0.60 0.00 0.00 32.23 32.67 2wrj h LYS 66 CO 0.52 0.00 0.59 0.21 -3.45 0.00 0.00 179.45 177.31 2wrj s LYS 67 N -3.24 3.34 0.37 1.90 2.47 -1.26 -4.69 119.74 118.63 2wrj s LYS 67 Ca 0.05 -1.39 -0.10 0.00 -1.56 0.00 0.00 55.97 52.97 2wrj s LYS 67 Cb 0.07 -4.55 -0.09 0.00 -1.46 0.00 0.00 37.83 31.79 2wrj s LYS 67 CO 0.70 -1.73 -0.18 -0.85 0.16 0.00 0.00 175.35 173.44 2wrj n GLU 68 N 6.83 0.00 -4.34 4.03 0.00 -1.26 -4.37 120.64 121.52 2wrj n GLU 68 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.90 2wrj n GLU 68 Cb 0.47 -0.58 -0.11 0.00 0.00 0.00 0.00 31.44 31.21 2wrj n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2wrj s ILE 69 N -1.17 4.10 -0.38 3.84 1.09 0.92 -4.93 121.20 124.68 2wrj s ILE 69 Ca 0.30 -0.29 -0.19 0.00 -1.10 0.00 0.00 60.65 59.38 2wrj s ILE 69 Cb -0.24 -2.79 0.01 0.00 -1.06 0.00 0.00 42.46 38.38 2wrj s ILE 69 CO 0.41 0.51 0.55 -0.54 -0.10 0.00 0.00 174.94 175.77 2wrj s LYS 70 N 0.11 3.51 0.68 2.79 1.02 -1.26 -2.10 119.74 124.48 2wrj s LYS 70 Ca 0.00 -0.24 -0.11 0.00 0.02 0.00 0.00 55.97 55.64 2wrj s LYS 70 Cb -0.13 -3.85 -0.01 0.00 -0.52 0.00 0.00 37.83 33.32 2wrj s LYS 70 CO 0.02 -0.75 1.06 1.03 -0.92 0.00 0.00 175.35 175.79 2wrj s ARG 71 N 2.49 3.12 0.17 1.68 1.81 -0.80 -4.94 118.95 122.48 2wrj s ARG 71 Ca 0.19 0.69 0.24 0.00 -1.72 0.00 0.00 55.73 55.13 2wrj s ARG 71 Cb -0.15 -2.03 0.91 0.00 -0.45 0.00 0.00 34.95 33.23 2wrj s ARG 71 CO 0.15 -0.90 1.74 -0.35 -0.68 0.00 0.00 175.30 175.25 2wrj n PRO 72 N -2.96 0.17 -1.03 3.54 -0.04 -1.26 -2.94 135.00 130.48 2wrj n PRO 72 Ca 0.07 0.26 -0.22 0.00 -0.04 0.00 0.00 63.50 63.56 2wrj n PRO 72 Cb 0.55 -1.74 0.05 0.00 -0.04 0.00 0.00 33.50 32.32 2wrj n PRO 72 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2wrj n ASP 73 N -2.04 6.74 -1.85 3.54 5.68 -1.26 -4.85 116.55 122.50 2wrj n ASP 73 Ca 0.04 -3.29 -0.08 0.00 -0.50 0.00 0.00 54.79 50.96 2wrj n ASP 73 Cb 0.31 -1.02 -0.02 0.00 -1.14 0.00 0.00 41.12 39.25 2wrj n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wrj n GLY 74 N -0.09 0.12 3.95 6.12 0.00 -1.15 -4.94 105.19 109.19 2wrj n GLY 74 Ca 0.41 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 2wrj n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wrj s SER 75 N -1.84 4.87 -0.02 1.61 1.04 -1.25 -4.96 113.70 113.15 2wrj s SER 75 Ca 0.00 -1.03 -0.08 0.00 0.48 0.00 0.00 55.95 55.32 2wrj s SER 75 Cb 0.00 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.36 2wrj s SER 75 CO 0.00 -1.13 0.18 0.00 0.98 0.00 0.00 173.24 173.28 2wrj s ALA 76 N -2.69 -0.45 0.05 5.32 0.00 -1.26 -1.90 121.76 120.83 2wrj s ALA 76 Ca 0.46 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.59 2wrj s ALA 76 Cb -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 2wrj s ALA 76 CO 0.28 -0.19 -0.11 -1.50 0.00 0.00 0.00 175.76 174.25 2wrj s ILE 77 N -0.96 0.87 -0.19 0.00 1.10 -0.89 -4.96 121.20 116.17 2wrj s ILE 77 Ca -0.10 -1.12 -0.28 0.00 -0.51 0.00 0.00 60.65 58.64 2wrj s ILE 77 Cb -0.06 -0.86 0.09 0.00 0.15 0.00 0.00 42.46 41.79 2wrj s ILE 77 CO 0.02 -0.23 0.84 -0.60 -2.11 0.00 0.00 174.94 172.86 2wrj s ARG 78 N -1.51 0.77 0.53 3.50 3.52 -1.26 -0.06 118.95 124.45 2wrj s ARG 78 Ca -0.04 0.53 0.01 0.00 -0.13 0.00 0.00 55.73 56.10 2wrj s ARG 78 Cb -0.09 0.37 0.01 0.00 -1.56 0.00 0.00 34.95 33.67 2wrj s ARG 78 CO 0.01 -0.17 0.08 -0.06 -0.81 0.00 0.00 175.30 174.35 2wrj s PHE 79 N -0.39 1.70 -0.13 5.12 0.40 -1.04 -5.04 117.98 118.61 2wrj s PHE 79 Ca -0.03 -0.98 0.17 0.00 -0.60 0.00 0.00 56.93 55.49 2wrj s PHE 79 Cb -0.03 -1.64 -0.11 0.00 0.51 0.00 0.00 43.02 41.75 2wrj s PHE 79 CO 0.02 0.06 0.90 -0.44 0.70 0.00 0.00 175.22 176.46 2wrj h ASP 80 N 1.17 0.00 -4.40 1.36 5.19 -1.94 -3.38 116.42 114.42 2wrj h ASP 80 Ca -0.43 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 55.57 2wrj h ASP 80 Cb 1.33 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.76 2wrj h ASP 80 CO 0.70 0.56 -0.28 -0.90 -3.12 0.00 0.00 179.24 176.20 2wrj n ASP 81 N -2.93 2.77 -3.98 6.45 5.75 -1.26 -4.81 116.55 118.54 2wrj n ASP 81 Ca -0.08 -2.38 -0.29 0.00 -0.01 0.00 0.00 54.79 52.02 2wrj n ASP 81 Cb 0.82 0.19 -0.16 0.00 -1.03 0.00 0.00 41.12 40.94 2wrj n ASP 81 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2wrj s ASN 82 N -2.82 2.68 0.43 -1.12 -0.87 -1.25 -2.97 114.94 109.02 2wrj s ASN 82 Ca 0.03 -0.51 0.01 0.00 -1.57 0.00 0.00 52.86 50.83 2wrj s ASN 82 Cb -0.00 -1.10 -0.01 0.00 -0.02 0.00 0.00 41.25 40.12 2wrj s ASN 82 CO 0.02 -0.09 0.05 0.00 -2.57 0.00 0.00 177.10 174.51 2wrj n ALA 83 N 4.80 0.45 -3.51 0.60 0.00 -0.65 0.64 120.51 122.85 2wrj n ALA 83 Ca -0.15 -2.02 -0.09 0.00 0.00 0.00 0.00 53.44 51.18 2wrj n ALA 83 Cb 0.49 1.20 -0.02 0.00 0.00 0.00 0.00 19.45 21.12 2wrj n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrj s ALA 84 N -2.89 -1.83 -0.03 0.00 0.00 -0.72 -2.49 121.76 113.80 2wrj s ALA 84 Ca 0.07 1.04 0.07 0.00 0.00 0.00 0.00 51.96 53.14 2wrj s ALA 84 Cb 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 2wrj s ALA 84 CO 0.05 -0.67 -0.25 0.08 0.00 0.00 0.00 175.76 174.97 2wrj s VAL 85 N -3.05 2.11 0.24 0.00 1.01 -0.38 -0.91 120.40 119.42 2wrj s VAL 85 Ca 0.05 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 60.76 2wrj s VAL 85 Cb -0.01 -1.74 -0.08 0.00 0.00 0.00 0.00 36.38 34.54 2wrj s VAL 85 CO -0.09 0.58 0.74 -0.63 0.00 0.00 0.00 175.10 175.70 2wrj s ILE 86 N -0.47 4.57 0.31 2.22 1.09 -1.26 -0.35 121.20 127.30 2wrj s ILE 86 Ca 0.06 1.26 0.03 0.00 -1.10 0.00 0.00 60.65 60.90 2wrj s ILE 86 Cb -0.11 -3.83 -0.04 0.00 -1.06 0.00 0.00 42.46 37.41 2wrj s ILE 86 CO 0.01 0.15 0.12 0.27 -0.10 0.00 0.00 174.94 175.39 2wrj s ILE 87 N -1.59 0.56 0.50 2.92 -0.00 0.73 -1.42 121.20 122.90 2wrj s ILE 87 Ca 0.45 -2.00 0.07 0.00 -0.00 0.00 0.00 60.65 59.17 2wrj s ILE 87 Cb -0.16 -2.56 0.03 0.00 -0.00 0.00 0.00 42.46 39.76 2wrj s ILE 87 CO 0.21 0.00 0.47 0.54 -0.00 0.00 0.00 174.94 176.15 2wrj s ASN 88 N -3.41 4.88 0.00 4.36 4.22 -0.93 -4.25 114.94 119.81 2wrj s ASN 88 Ca 0.34 -0.98 0.00 0.00 -2.14 0.00 0.00 52.86 50.08 2wrj s ASN 88 Cb 0.06 0.03 0.00 0.00 1.28 0.00 0.00 41.25 42.62 2wrj s ASN 88 CO 0.16 -0.98 0.04 0.59 -2.04 0.00 0.00 177.10 174.86 2wrj n ASN 89 N -1.78 0.02 -0.12 3.54 4.13 -1.26 0.41 115.26 120.20 2wrj n ASN 89 Ca 0.04 -0.09 0.03 0.00 1.68 0.00 0.00 54.58 56.24 2wrj n ASN 89 Cb 0.63 -0.01 0.05 0.00 -1.54 0.00 0.00 39.78 38.91 2wrj n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wrj n GLN 90 N -0.07 1.31 -2.33 3.52 6.02 -1.26 -4.99 117.38 119.58 2wrj n GLN 90 Ca 0.00 -1.60 -0.19 0.00 -0.01 0.00 0.00 57.00 55.21 2wrj n GLN 90 Cb 0.01 -0.98 -0.02 0.00 1.02 0.00 0.00 30.24 30.26 2wrj n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wrj n LEU 91 N -0.63 -1.69 -4.56 1.08 7.99 0.17 -4.98 117.00 114.37 2wrj n LEU 91 Ca 0.05 0.08 -0.34 0.00 -0.01 0.00 0.00 56.01 55.80 2wrj n LEU 91 Cb 0.51 -2.72 -0.11 0.00 -0.11 0.00 0.00 43.42 41.00 2wrj n LEU 91 CO 0.00 -0.27 -0.32 -1.61 -1.51 0.00 0.00 177.39 173.68 2wrj s GLU 92 N -4.90 3.67 0.19 3.23 2.02 -1.25 -4.84 118.70 116.82 2wrj s GLU 92 Ca 0.00 -0.46 -0.33 0.00 0.02 0.00 0.00 54.97 54.20 2wrj s GLU 92 Cb 0.00 -2.98 -0.15 0.00 0.10 0.00 0.00 34.13 31.10 2wrj s GLU 92 CO 0.00 0.31 1.27 -0.35 0.02 0.00 0.00 175.26 176.51 2wrj n PRO 93 N 3.36 1.48 0.00 0.39 -0.04 -1.26 -2.18 135.00 136.74 2wrj n PRO 93 Ca -0.17 0.53 0.14 0.00 -0.04 0.00 0.00 63.50 63.95 2wrj n PRO 93 Cb 0.53 -2.09 0.59 0.00 -0.04 0.00 0.00 33.50 32.48 2wrj n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wrj n ARG 94 N 1.95 1.07 -0.68 0.54 1.74 -0.51 -4.86 116.66 115.92 2wrj n ARG 94 Ca 0.14 -0.48 0.00 0.00 -0.77 0.00 0.00 57.85 56.74 2wrj n ARG 94 Cb 0.27 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2wrj n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrj n GLY 95 N 1.22 3.33 0.09 -0.13 0.00 -1.26 -4.85 105.19 103.59 2wrj n GLY 95 Ca 0.17 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 44.09 2wrj n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wrj n THR 96 N -0.33 0.18 -3.71 2.61 -2.24 -1.26 -5.04 114.28 104.48 2wrj n THR 96 Ca 0.00 -0.19 -0.10 0.00 -2.27 0.00 0.00 64.05 61.49 2wrj n THR 96 Cb 0.00 0.81 -0.05 0.00 -2.10 0.00 0.00 70.33 68.99 2wrj n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wrj s ARG 97 N -0.21 1.12 -0.14 -0.78 1.81 -1.26 -5.05 118.95 114.44 2wrj s ARG 97 Ca 0.01 -0.82 -0.10 0.00 -1.72 0.00 0.00 55.73 53.10 2wrj s ARG 97 Cb 0.01 0.46 0.04 0.00 -0.45 0.00 0.00 34.95 35.01 2wrj s ARG 97 CO 0.00 -0.44 0.35 0.14 -0.68 0.00 0.00 175.30 174.67 2wrj s VAL 98 N -3.84 -0.01 0.39 3.52 -7.23 -1.26 -3.80 120.40 108.16 2wrj s VAL 98 Ca 0.06 0.05 0.08 0.00 -1.81 0.00 0.00 61.98 60.36 2wrj s VAL 98 Cb 0.02 -0.51 -0.03 0.00 0.56 0.00 0.00 36.38 36.42 2wrj s VAL 98 CO -0.09 0.02 0.31 -0.36 -0.31 0.00 0.00 175.10 174.67 2wrj s PHE 99 N 0.70 2.74 0.60 2.82 0.08 -1.11 -4.48 117.98 119.33 2wrj s PHE 99 Ca -0.04 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.56 2wrj s PHE 99 Cb -0.05 -2.01 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 2wrj s PHE 99 CO -0.05 0.03 0.00 0.41 -0.10 0.00 0.00 175.22 175.52 2wrj n GLY 100 N -1.43 -3.63 3.30 4.36 0.00 -1.26 -4.86 105.19 101.67 2wrj n GLY 100 Ca 0.01 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 2wrj n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wrj n PRO 101 N -3.42 -3.14 -3.72 1.61 -0.04 -1.26 -4.52 135.00 120.50 2wrj n PRO 101 Ca -0.04 -0.91 -0.14 0.00 -0.04 0.00 0.00 63.50 62.37 2wrj n PRO 101 Cb 0.57 -1.93 -0.09 0.00 -0.04 0.00 0.00 33.50 32.01 2wrj n PRO 101 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2wrj s VAL 102 N -2.24 0.03 0.02 0.52 -7.23 -1.09 -4.93 120.40 105.48 2wrj s VAL 102 Ca 0.63 -0.23 -0.30 0.00 -1.81 0.00 0.00 61.98 60.26 2wrj s VAL 102 Cb -0.17 -0.64 -0.05 0.00 0.56 0.00 0.00 36.38 36.08 2wrj s VAL 102 CO 0.60 -0.13 1.26 0.00 -0.31 0.00 0.00 175.10 176.52 2wrj s ALA 103 N -0.69 3.48 -1.27 1.32 0.00 -1.18 -2.06 121.76 121.35 2wrj s ALA 103 Ca -0.08 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2wrj s ALA 103 Cb -0.04 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2wrj s ALA 103 CO 0.03 -0.63 0.74 2.89 0.00 0.00 0.00 175.76 178.79 2wrj n ARG 104 N 4.55 0.00 0.07 0.00 1.85 -0.20 -2.25 116.66 120.68 2wrj n ARG 104 Ca 0.11 0.26 0.04 0.00 -1.00 0.00 0.00 57.85 57.26 2wrj n ARG 104 Cb 0.45 -1.53 0.24 0.00 -1.05 0.00 0.00 32.46 30.57 2wrj n ARG 104 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2wrj n GLU 105 N -1.24 0.06 0.08 2.89 4.71 -1.26 -1.56 120.64 124.31 2wrj n GLU 105 Ca 0.00 0.52 -0.12 0.00 -0.01 0.00 0.00 57.16 57.55 2wrj n GLU 105 Cb 0.03 -1.76 -0.08 0.00 -1.01 0.00 0.00 31.44 28.62 2wrj n GLU 105 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2wrj h LEU 106 N 0.00 -0.22 -0.91 -4.62 3.38 -1.79 -3.30 115.31 107.85 2wrj h LEU 106 Ca 0.00 -0.31 0.11 0.00 0.09 0.00 0.00 57.88 57.77 2wrj h LEU 106 Cb 0.15 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 40.84 2wrj h LEU 106 CO 0.00 0.27 -0.45 -1.14 0.09 0.00 0.00 178.44 177.21 2wrj n ARG 107 N -4.98 -0.31 0.00 1.13 0.63 -0.60 0.18 116.66 112.71 2wrj n ARG 107 Ca -0.08 1.38 0.00 0.00 -0.92 0.00 0.00 57.85 58.23 2wrj n ARG 107 Cb 0.26 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.13 2wrj n ARG 107 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2wrj n GLU 108 N -5.23 0.80 -0.00 -0.14 0.00 -1.25 -2.26 120.64 112.56 2wrj n GLU 108 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.27 2wrj n GLU 108 Cb 0.30 -1.14 -0.08 0.00 0.00 0.00 0.00 31.44 30.52 2wrj n GLU 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2wrj n LYS 109 N -0.29 2.46 -0.00 3.44 4.76 0.48 -4.98 118.16 124.03 2wrj n LYS 109 Ca 0.00 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2wrj n LYS 109 Cb 0.07 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 2wrj n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wrj n GLY 110 N 1.38 1.00 2.94 0.72 0.00 -0.96 -5.02 105.19 105.25 2wrj n GLY 110 Ca 0.01 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2wrj n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wrj n PHE 111 N -2.00 2.32 0.22 1.61 3.72 -1.22 -4.81 117.46 117.29 2wrj n PHE 111 Ca 0.00 -2.58 -0.09 0.00 -0.05 0.00 0.00 57.45 54.73 2wrj n PHE 111 Cb 0.00 -1.23 -0.04 0.00 -0.94 0.00 0.00 39.48 37.26 2wrj n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 2wrj h MET 112 N 5.21 -0.58 -0.65 -1.08 2.86 -1.87 -3.19 114.93 115.64 2wrj h MET 112 Ca 0.25 0.04 0.23 0.00 -2.06 0.00 0.00 59.70 58.16 2wrj h MET 112 Cb 0.57 0.13 -0.12 0.00 0.06 0.00 0.00 31.60 32.24 2wrj h MET 112 CO 1.31 -0.39 0.19 1.17 1.06 0.00 0.00 176.91 180.25 2wrj n LYS 113 N -4.82 -0.04 0.19 1.72 3.00 -1.26 -0.40 118.16 116.54 2wrj n LYS 113 Ca -0.07 0.93 -0.08 0.00 -0.00 0.00 0.00 58.31 59.08 2wrj n LYS 113 Cb 0.24 -1.57 -0.04 0.00 0.00 0.00 0.00 35.03 33.66 2wrj n LYS 113 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2wrj h ILE 114 N 0.00 0.00 -0.77 3.15 5.03 -1.97 -2.86 117.51 120.09 2wrj h ILE 114 Ca 0.47 -0.27 0.14 0.00 -0.12 0.00 0.00 64.86 65.09 2wrj h ILE 114 Cb 1.15 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 34.79 2wrj h ILE 114 CO -0.55 0.00 -0.28 0.58 -0.68 0.00 0.00 178.15 177.22 2wrj h VAL 115 N -0.78 0.15 0.00 1.67 2.07 -0.71 1.84 116.25 120.49 2wrj h VAL 115 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2wrj h VAL 115 Cb 0.39 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2wrj h VAL 115 CO 0.09 0.00 0.03 -1.54 0.02 0.00 0.00 177.57 176.16 2wrj n SER 116 N -5.49 0.00 -0.04 0.57 3.41 0.22 -1.61 113.62 110.68 2wrj n SER 116 Ca 0.09 0.46 -0.02 0.00 -0.26 0.00 0.00 58.87 59.14 2wrj n SER 116 Cb 0.39 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 63.79 2wrj n SER 116 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wrj n LEU 117 N -1.46 0.00 -4.71 1.04 4.77 0.59 -5.02 117.00 112.21 2wrj n LEU 117 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 2wrj n LEU 117 Cb 0.03 0.17 0.13 0.00 -2.33 0.00 0.00 43.42 41.42 2wrj n LEU 117 CO 0.00 0.17 0.72 0.00 -1.33 0.00 0.00 177.39 176.95 2wrj s ALA 118 N -2.41 1.82 -1.85 -1.18 0.00 0.65 -4.46 121.76 114.33 2wrj s ALA 118 Ca -0.05 0.62 0.29 0.00 0.00 0.00 0.00 51.96 52.82 2wrj s ALA 118 Cb 0.04 -3.42 1.19 0.00 0.00 0.00 0.00 23.12 20.94 2wrj s ALA 118 CO 0.43 -2.30 1.83 -0.35 0.00 0.00 0.00 175.76 175.37 2wrj n PRO 119 N -3.64 0.91 0.00 0.00 -0.04 -1.26 -4.86 135.00 126.12 2wrj n PRO 119 Ca 0.12 -0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 2wrj n PRO 119 Cb 0.52 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2wrj n PRO 119 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wrj n GLU 120 N -0.72 0.00 -3.52 0.54 2.13 -1.26 -5.01 120.64 112.80 2wrj n GLU 120 Ca 0.16 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.56 2wrj n GLU 120 Cb 0.28 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.91 2wrj n GLU 120 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2wrj s VAL 121 N 0.00 4.53 -2.68 6.31 1.01 -1.26 -2.67 120.40 125.63 2wrj s VAL 121 Ca 0.00 -1.40 0.27 0.00 0.00 0.00 0.00 61.98 60.84 2wrj s VAL 121 Cb 0.00 -3.81 0.42 0.00 0.00 0.00 0.00 36.38 32.99 2wrj s VAL 121 CO 0.00 -0.60 1.57 0.18 0.00 0.00 0.00 175.10 176.25