#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpk s VAL 17 N 0.00 4.93 -1.28 2.52 1.01 0.17 -3.81 120.40 123.93 2wpk s VAL 17 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2wpk s VAL 17 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2wpk s VAL 17 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2wpk n GLY 18 N 3.24 0.35 0.00 4.51 0.00 -1.25 -1.78 105.19 110.27 2wpk n GLY 18 Ca -0.17 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2wpk n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wpk n GLY 19 N -1.10 2.34 3.12 -0.02 0.00 -1.26 -4.87 105.19 103.40 2wpk n GLY 19 Ca -0.16 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 43.79 2wpk n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wpk s GLU 20 N 3.16 0.78 0.33 1.61 2.02 -0.55 -4.93 118.70 121.12 2wpk s GLU 20 Ca 0.00 -1.33 -0.28 0.00 0.02 0.00 0.00 54.97 53.37 2wpk s GLU 20 Cb 0.00 0.21 -0.10 0.00 0.10 0.00 0.00 34.13 34.34 2wpk s GLU 20 CO 0.00 -0.18 1.22 -0.51 0.02 0.00 0.00 175.26 175.81 2wpk s ASP 21 N -2.99 6.85 0.63 -0.19 1.01 -1.26 -1.32 116.67 119.40 2wpk s ASP 21 Ca 0.16 2.51 -0.08 0.00 0.71 0.00 0.00 52.55 55.85 2wpk s ASP 21 Cb 0.08 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.38 2wpk s ASP 21 CO -0.04 -0.46 0.96 0.00 0.21 0.00 0.00 175.17 175.84 2wpk s ALA 22 N -1.20 3.18 0.15 5.23 0.00 0.07 -4.84 121.76 124.35 2wpk s ALA 22 Ca 0.49 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.87 2wpk s ALA 22 Cb -0.36 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 2wpk s ALA 22 CO 0.47 -0.91 0.30 0.15 0.00 0.00 0.00 175.76 175.76 2wpk s LYS 23 N -5.11 3.45 0.24 0.00 1.02 -1.26 -4.84 119.74 113.24 2wpk s LYS 23 Ca 0.55 -0.54 -0.31 0.00 0.02 0.00 0.00 55.97 55.69 2wpk s LYS 23 Cb -0.11 -2.95 -0.14 0.00 -0.52 0.00 0.00 37.83 34.11 2wpk s LYS 23 CO 0.47 0.50 1.22 -2.30 -0.92 0.00 0.00 175.35 174.32 2wpk n PRO 24 N -0.52 1.59 -0.89 -1.68 -0.02 -1.26 -1.38 135.00 130.84 2wpk n PRO 24 Ca -0.06 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2wpk n PRO 24 Cb 0.54 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2wpk n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wpk n GLY 25 N 1.74 0.64 0.20 -1.23 0.00 -1.26 -4.88 105.19 100.40 2wpk n GLY 25 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 2wpk n GLY 25 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2wpk h GLN 26 N 1.86 0.34 -2.27 1.61 4.15 -1.58 -3.33 115.11 115.89 2wpk h GLN 26 Ca 0.00 -0.18 -0.59 0.00 0.77 0.00 0.00 58.65 58.66 2wpk h GLN 26 Cb 0.06 0.01 -0.40 0.00 0.21 0.00 0.00 27.48 27.35 2wpk h GLN 26 CO 0.00 0.72 -0.83 1.19 -1.93 0.00 0.00 178.83 177.99 2wpk n PHE 27 N -4.00 1.51 0.40 3.99 3.01 -1.26 -4.96 117.46 116.14 2wpk n PHE 27 Ca -0.02 -3.85 0.04 0.00 1.01 0.00 0.00 57.45 54.64 2wpk n PHE 27 Cb 0.52 -0.38 0.21 0.00 -0.01 0.00 0.00 39.48 39.82 2wpk n PHE 27 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2wpk n PRO 28 N 1.48 0.11 0.03 -1.08 -0.04 -1.25 -1.93 135.00 132.31 2wpk n PRO 28 Ca 0.25 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 64.05 2wpk n PRO 28 Cb 0.45 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.45 2wpk n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2wpk n TRP 29 N -1.31 0.25 -2.23 0.54 2.14 -1.04 -1.34 117.44 114.45 2wpk n TRP 29 Ca 0.04 0.07 -0.41 0.00 2.07 0.00 0.00 57.50 59.27 2wpk n TRP 29 Cb 0.07 -0.42 -0.03 0.00 -0.81 0.00 0.00 31.31 30.13 2wpk n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2wpk s GLN 30 N -3.17 4.40 0.23 -2.67 2.00 -0.81 -0.68 119.66 118.95 2wpk s GLN 30 Ca 0.05 2.05 0.02 0.00 -2.00 0.00 0.00 55.36 55.47 2wpk s GLN 30 Cb 0.15 -3.19 -0.05 0.00 0.80 0.00 0.00 33.01 30.72 2wpk s GLN 30 CO 0.79 -0.22 0.04 0.14 -0.50 0.00 0.00 175.29 175.55 2wpk s VAL 31 N -0.06 0.75 0.21 1.34 -7.23 -0.09 -4.30 120.40 111.02 2wpk s VAL 31 Ca 0.55 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.83 2wpk s VAL 31 Cb -0.36 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.10 2wpk s VAL 31 CO 0.39 -0.21 -0.23 0.54 -0.31 0.00 0.00 175.10 175.29 2wpk s VAL 32 N -3.62 2.34 -0.11 1.32 0.11 -0.73 -2.14 120.40 117.57 2wpk s VAL 32 Ca 0.32 -2.11 0.03 0.00 -2.93 0.00 0.00 61.98 57.28 2wpk s VAL 32 Cb 0.07 -2.15 -0.01 0.00 -1.53 0.00 0.00 36.38 32.77 2wpk s VAL 32 CO 0.10 -0.20 -0.21 -0.76 -3.33 0.00 0.00 175.10 170.70 2wpk s LEU 33 N -2.87 2.29 0.15 2.54 1.43 -0.38 -1.42 118.68 120.42 2wpk s LEU 33 Ca 0.23 -0.48 0.10 0.00 -1.03 0.00 0.00 54.13 52.95 2wpk s LEU 33 Cb -0.07 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2wpk s LEU 33 CO 0.11 0.17 -0.21 0.20 0.23 0.00 0.00 176.35 176.84 2wpk s ASN 34 N 0.30 3.64 0.00 2.29 0.02 0.06 -1.49 114.94 119.75 2wpk s ASN 34 Ca -0.15 -0.71 0.00 0.00 -1.02 0.00 0.00 52.86 50.98 2wpk s ASN 34 Cb -0.17 -0.39 0.00 0.00 0.02 0.00 0.00 41.25 40.71 2wpk s ASN 34 CO 0.08 0.15 0.00 0.61 0.02 0.00 0.00 177.10 177.96 2wpk n GLY 35 N 0.58 1.02 0.34 0.66 0.00 -1.26 -0.88 105.19 105.65 2wpk n GLY 35 Ca -0.15 0.32 0.17 0.00 0.00 0.00 0.00 46.02 46.36 2wpk n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wpk h LYS 36 N 0.00 0.00 -5.14 1.61 1.57 -1.99 -3.38 116.57 109.24 2wpk h LYS 36 Ca 0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.34 2wpk h LYS 36 Cb 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.04 2wpk h LYS 36 CO 0.00 0.00 -0.79 0.08 -0.57 0.00 0.00 179.45 178.17 2wpk s VAL 38 N -4.79 0.99 0.32 0.50 1.01 -1.26 -5.14 120.40 112.04 2wpk s VAL 38 Ca -0.05 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 2wpk s VAL 38 Cb 0.17 -0.87 -0.10 0.00 0.00 0.00 0.00 36.38 35.58 2wpk s VAL 38 CO 0.61 0.11 0.87 -0.62 0.00 0.00 0.00 175.10 176.08 2wpk s ASP 39 N -0.73 7.13 -1.49 3.32 -1.08 -1.26 -4.06 116.67 118.51 2wpk s ASP 39 Ca 0.03 1.65 -0.01 0.00 -0.52 0.00 0.00 52.55 53.69 2wpk s ASP 39 Cb -0.06 -2.51 0.01 0.00 -1.46 0.00 0.00 42.92 38.90 2wpk s ASP 39 CO 0.00 -0.12 0.27 0.00 0.52 0.00 0.00 175.17 175.84 2wpk n ALA 40 N 0.24 -1.96 0.43 3.66 0.00 -1.08 -4.87 120.51 116.93 2wpk n ALA 40 Ca 0.02 -0.32 0.13 0.00 0.00 0.00 0.00 53.44 53.27 2wpk n ALA 40 Cb 0.51 -1.33 0.29 0.00 0.00 0.00 0.00 19.45 18.93 2wpk n ALA 40 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2wpk h PHE 41 N -1.78 0.00 -3.14 0.00 -0.00 -1.41 -3.47 116.94 107.14 2wpk h PHE 41 Ca -0.64 0.00 0.04 0.00 -0.00 0.00 0.00 57.97 57.37 2wpk h PHE 41 Cb 1.39 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 37.28 2wpk h PHE 41 CO 0.51 0.00 0.15 0.00 -0.00 0.00 0.00 178.31 178.98 2wpk n GLY 43 N -0.44 2.91 3.69 0.00 0.00 0.18 -1.25 105.19 110.27 2wpk n GLY 43 Ca -0.04 -2.30 -0.02 0.00 0.00 0.00 0.00 46.02 43.67 2wpk n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wpk s GLY 44 N -3.96 -0.32 0.03 -0.02 0.00 -0.91 -3.15 107.32 98.98 2wpk s GLY 44 Ca 0.24 0.43 0.05 0.00 0.00 0.00 0.00 44.72 45.44 2wpk s GLY 44 CO 0.15 0.08 -0.16 -0.56 0.00 0.00 0.00 173.10 172.61 2wpk s SER 45 N -2.92 1.87 -0.13 1.64 0.01 -0.16 -0.91 113.70 113.10 2wpk s SER 45 Ca 0.13 -0.42 -0.29 0.00 1.31 0.00 0.00 55.95 56.67 2wpk s SER 45 Cb 0.01 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.07 2wpk s SER 45 CO -0.01 0.10 1.32 -0.63 0.41 0.00 0.00 173.24 174.43 2wpk s ILE 46 N -0.70 4.16 -0.17 1.44 1.01 0.14 -0.52 121.20 126.56 2wpk s ILE 46 Ca 0.04 1.42 -0.21 0.00 0.00 0.00 0.00 60.65 61.90 2wpk s ILE 46 Cb -0.07 -3.91 -0.23 0.00 0.01 0.00 0.00 42.46 38.26 2wpk s ILE 46 CO 0.01 -0.11 0.41 0.58 0.00 0.00 0.00 174.94 175.84 2wpk h VAL 47 N 5.42 1.11 -2.53 2.92 2.07 -1.24 -1.00 116.25 123.01 2wpk h VAL 47 Ca -0.29 -2.27 -0.02 0.00 0.82 0.00 0.00 66.70 64.93 2wpk h VAL 47 Cb 1.12 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 2wpk h VAL 47 CO 0.96 0.49 0.13 -0.46 0.02 0.00 0.00 177.57 178.70 2wpk n ASN 48 N -4.31 -1.14 -0.31 0.57 0.23 -1.16 -4.55 115.26 104.59 2wpk n ASN 48 Ca -0.26 -1.82 0.29 0.00 -0.53 0.00 0.00 54.58 52.27 2wpk n ASN 48 Cb 0.71 1.91 0.65 0.00 -2.08 0.00 0.00 39.78 40.97 2wpk n ASN 48 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2wpk h GLU 49 N 0.00 0.15 -0.00 -3.83 3.07 -1.96 -2.67 114.58 109.34 2wpk h GLU 49 Ca -0.17 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 2wpk h GLU 49 Cb 0.63 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2wpk h GLU 49 CO 0.21 0.10 -0.36 1.63 -1.40 0.00 0.00 179.01 179.19 2wpk n LYS 50 N -4.38 2.75 -4.57 2.33 4.76 -1.26 -0.94 118.16 116.86 2wpk n LYS 50 Ca 0.25 -0.33 -0.23 0.00 -2.87 0.00 0.00 58.31 55.14 2wpk n LYS 50 Cb 1.07 -1.06 -0.14 0.00 -1.84 0.00 0.00 35.03 33.06 2wpk n LYS 50 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2wpk s TRP 51 N -1.72 1.43 0.01 2.13 0.52 -1.01 -0.22 118.94 120.08 2wpk s TRP 51 Ca 0.07 -0.32 0.08 0.00 0.02 0.00 0.00 56.10 55.94 2wpk s TRP 51 Cb 0.08 -0.88 -0.02 0.00 -1.15 0.00 0.00 33.47 31.51 2wpk s TRP 51 CO 0.36 0.03 -0.24 0.42 0.02 0.00 0.00 176.95 177.53 2wpk s ILE 52 N -0.65 1.91 -0.08 2.03 -1.09 0.08 -0.71 121.20 122.68 2wpk s ILE 52 Ca 0.05 -1.14 -0.01 0.00 -2.23 0.00 0.00 60.65 57.31 2wpk s ILE 52 Cb -0.07 -1.61 -0.03 0.00 -1.58 0.00 0.00 42.46 39.17 2wpk s ILE 52 CO 0.01 0.43 -0.03 0.54 -1.23 0.00 0.00 174.94 174.66 2wpk s VAL 53 N -0.66 4.04 0.00 2.92 0.11 0.32 -0.39 120.40 126.74 2wpk s VAL 53 Ca 0.10 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 2wpk s VAL 53 Cb -0.09 -2.68 0.00 0.00 -1.53 0.00 0.00 36.38 32.07 2wpk s VAL 53 CO 0.00 0.59 0.00 1.07 -3.33 0.00 0.00 175.10 173.44 2wpk n THR 54 N 2.28 0.00 -3.58 5.04 5.66 0.12 -0.99 114.28 122.81 2wpk n THR 54 Ca -0.18 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.45 2wpk n THR 54 Cb 0.53 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.25 2wpk n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wpk s ALA 55 N -1.44 3.69 0.40 1.79 0.00 -1.26 0.21 121.76 125.15 2wpk s ALA 55 Ca 0.00 -0.38 0.07 0.00 0.00 0.00 0.00 51.96 51.66 2wpk s ALA 55 Cb 0.00 -2.32 0.84 0.00 0.00 0.00 0.00 23.12 21.64 2wpk s ALA 55 CO 0.00 0.36 2.02 0.00 0.00 0.00 0.00 175.76 178.14 2wpk h ALA 56 N 5.50 1.66 0.00 0.00 0.00 -1.71 -2.11 119.26 122.59 2wpk h ALA 56 Ca -0.48 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2wpk h ALA 56 Cb 1.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2wpk h ALA 56 CO 0.66 0.29 0.00 -2.39 0.00 0.00 0.00 179.25 177.81 2wpk n HIS 57 N -4.43 0.00 0.43 0.00 1.44 -1.26 -1.64 115.22 109.76 2wpk n HIS 57 Ca 0.02 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.85 2wpk n HIS 57 Cb 0.11 -0.48 0.15 0.00 0.12 0.00 0.00 29.99 29.89 2wpk n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wpk n VAL 59 N -2.36 1.71 -1.61 0.00 0.24 -0.65 -5.03 118.33 110.64 2wpk n VAL 59 Ca 0.03 -5.10 -0.46 0.00 -2.04 0.00 0.00 64.34 56.77 2wpk n VAL 59 Cb 0.47 -1.29 -0.03 0.00 -1.47 0.00 0.00 33.84 31.53 2wpk n VAL 59 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2wpk n GLU 60 N 0.26 1.46 -1.70 7.34 0.28 -1.26 -4.80 120.64 122.22 2wpk n GLU 60 Ca 0.28 0.52 -0.58 0.00 -0.16 0.00 0.00 57.16 57.22 2wpk n GLU 60 Cb 0.48 -2.01 -0.07 0.00 1.43 0.00 0.00 31.44 31.26 2wpk n GLU 60 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2wpk n THR 61 N 1.12 0.25 0.00 3.84 -2.24 -1.26 -3.95 114.28 112.05 2wpk n THR 61 Ca 0.12 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2wpk n THR 61 Cb 0.29 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 2wpk n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wpk n GLY 61 N 4.00 1.41 1.69 3.38 0.00 -1.26 -5.12 105.19 109.30 2wpk n GLY 61 Ca 0.26 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 2wpk n GLY 61 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wpk n VAL 61 N 0.00 0.67 -2.73 1.61 0.24 -1.25 -4.93 118.33 111.93 2wpk n VAL 61 Ca 0.00 -0.25 -0.39 0.00 -2.04 0.00 0.00 64.34 61.66 2wpk n VAL 61 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 2wpk n VAL 61 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2wpk s LYS 62 N -0.51 4.71 0.03 7.34 2.20 -1.26 -5.00 119.74 127.25 2wpk s LYS 62 Ca 0.31 1.45 0.04 0.00 -0.36 0.00 0.00 55.97 57.41 2wpk s LYS 62 Cb -0.40 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 2wpk s LYS 62 CO 0.30 0.38 -0.11 0.42 -0.36 0.00 0.00 175.35 175.98 2wpk s ILE 63 N -1.36 0.84 0.00 5.43 1.01 -1.26 -4.47 121.20 121.39 2wpk s ILE 63 Ca 0.45 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.27 2wpk s ILE 63 Cb -0.23 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.45 2wpk s ILE 63 CO 0.29 -0.04 0.00 0.41 0.00 0.00 0.00 174.94 175.61 2wpk n THR 64 N 2.08 0.00 -3.25 2.92 -1.04 -0.06 -2.43 114.28 112.50 2wpk n THR 64 Ca -0.18 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.87 2wpk n THR 64 Cb 0.55 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.03 2wpk n THR 64 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wpk s VAL 65 N -0.07 -0.31 0.39 12.58 1.01 -0.51 -0.76 120.40 132.73 2wpk s VAL 65 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.04 2wpk s VAL 65 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 2wpk s VAL 65 CO 0.00 0.00 0.54 0.00 0.00 0.00 0.00 175.10 175.64 2wpk s ALA 66 N 2.53 4.22 -1.71 5.51 0.00 -0.29 -1.77 121.76 130.25 2wpk s ALA 66 Ca -0.01 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 50.49 2wpk s ALA 66 Cb -0.06 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.30 2wpk s ALA 66 CO -0.15 -0.19 0.20 0.41 0.00 0.00 0.00 175.76 176.03 2wpk n GLY 69 N -1.80 -0.51 3.86 0.00 0.00 -1.24 -1.30 105.19 104.21 2wpk n GLY 69 Ca 0.02 0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 2wpk n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wpk s GLU 70 N -5.26 3.77 0.22 1.61 2.56 -1.26 -3.12 118.70 117.22 2wpk s GLU 70 Ca 0.10 0.22 0.00 0.00 0.00 0.00 0.00 54.97 55.29 2wpk s GLU 70 Cb -0.04 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 32.95 2wpk s GLU 70 CO 0.12 0.66 0.00 1.58 -0.56 0.00 0.00 175.26 177.07 2wpk n HIS 71 N 1.52 -1.70 -3.85 5.30 -0.00 -1.26 -4.94 115.22 110.30 2wpk n HIS 71 Ca -0.13 0.30 -0.36 0.00 -0.00 0.00 0.00 57.72 57.53 2wpk n HIS 71 Cb 0.53 0.41 -0.13 0.00 -0.00 0.00 0.00 29.99 30.79 2wpk n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2wpk s ASN 72 N -5.28 5.00 0.56 0.26 3.84 -1.26 -1.33 114.94 116.73 2wpk s ASN 72 Ca 0.00 -1.17 0.27 0.00 0.21 0.00 0.00 52.86 52.17 2wpk s ASN 72 Cb 0.00 -1.77 1.50 0.00 -0.55 0.00 0.00 41.25 40.43 2wpk s ASN 72 CO 0.00 -0.27 2.02 0.40 -2.79 0.00 0.00 177.10 176.46 2wpk h ILE 73 N 6.32 0.58 -0.02 -5.21 5.03 -0.70 -2.21 117.51 121.29 2wpk h ILE 73 Ca -0.23 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.51 2wpk h ILE 73 Cb 1.07 0.76 0.00 0.00 -3.03 0.00 0.00 36.82 35.62 2wpk h ILE 73 CO 0.56 0.00 -0.17 -1.84 -0.68 0.00 0.00 178.15 176.02 2wpk n GLU 74 N -4.05 1.86 -4.25 2.37 0.28 -1.26 -4.99 120.64 110.60 2wpk n GLU 74 Ca 0.06 -1.51 -0.29 0.00 -0.16 0.00 0.00 57.16 55.25 2wpk n GLU 74 Cb 0.50 -1.47 -0.03 0.00 1.43 0.00 0.00 31.44 31.87 2wpk n GLU 74 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2wpk n GLU 75 N 0.75 0.72 -4.08 3.44 1.02 -0.83 -5.13 120.64 116.53 2wpk n GLU 75 Ca 0.13 -3.58 -0.32 0.00 -0.02 0.00 0.00 57.16 53.37 2wpk n GLU 75 Cb 0.53 0.67 -0.16 0.00 -0.02 0.00 0.00 31.44 32.47 2wpk n GLU 75 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2wpk s THR 76 N -2.78 1.90 -1.02 2.62 2.01 -1.26 -4.86 115.64 112.24 2wpk s THR 76 Ca 0.16 -0.92 0.20 0.00 0.31 0.00 0.00 61.69 61.44 2wpk s THR 76 Cb -0.01 -1.78 -0.20 0.00 0.01 0.00 0.00 72.50 70.52 2wpk s THR 76 CO 0.10 0.44 0.87 -0.62 -0.69 0.00 0.00 174.62 174.72 2wpk n GLU 77 N 4.65 0.42 -2.22 4.92 4.71 -1.26 -4.97 120.64 126.89 2wpk n GLU 77 Ca -0.19 -0.07 -0.16 0.00 -0.01 0.00 0.00 57.16 56.73 2wpk n GLU 77 Cb 0.49 -1.45 -0.01 0.00 -1.01 0.00 0.00 31.44 29.46 2wpk n GLU 77 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2wpk n HIS 78 N -1.38 -0.69 -0.17 -0.32 8.25 -1.26 -4.82 115.22 114.83 2wpk n HIS 78 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2wpk n HIS 78 Cb 0.32 -3.28 0.00 0.00 1.12 0.00 0.00 29.99 28.15 2wpk n HIS 78 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2wpk n THR 79 N -3.85 0.00 -2.43 1.59 -2.24 -1.26 -5.07 114.28 101.03 2wpk n THR 79 Ca -0.19 -0.36 -0.40 0.00 -2.27 0.00 0.00 64.05 60.83 2wpk n THR 79 Cb 0.64 1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 70.00 2wpk n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wpk s GLU 80 N -0.27 4.49 -0.17 -0.78 8.01 -1.18 -4.30 118.70 124.49 2wpk s GLU 80 Ca 0.00 1.81 -0.01 0.00 0.01 0.00 0.00 54.97 56.78 2wpk s GLU 80 Cb 0.00 -3.04 0.05 0.00 -4.31 0.00 0.00 34.13 26.83 2wpk s GLU 80 CO 0.00 0.07 -0.01 -0.65 0.01 0.00 0.00 175.26 174.68 2wpk s GLN 81 N -1.71 1.02 -0.14 1.61 -0.21 -0.42 -4.97 119.66 114.85 2wpk s GLN 81 Ca 0.48 -0.44 -0.11 0.00 0.02 0.00 0.00 55.36 55.31 2wpk s GLN 81 Cb -0.31 -1.96 -0.05 0.00 1.00 0.00 0.00 33.01 31.69 2wpk s GLN 81 CO 0.40 -0.52 0.23 0.15 -2.12 0.00 0.00 175.29 173.44 2wpk s LYS 82 N 1.75 3.99 0.07 2.91 1.02 -1.26 -1.14 119.74 127.07 2wpk s LYS 82 Ca -0.00 0.00 0.01 0.00 0.02 0.00 0.00 55.97 56.01 2wpk s LYS 82 Cb -0.16 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 2wpk s LYS 82 CO -0.07 0.45 -0.06 1.03 -0.92 0.00 0.00 175.35 175.78 2wpk s ARG 83 N -0.14 0.66 0.16 1.68 1.81 -1.26 -5.03 118.95 116.82 2wpk s ARG 83 Ca 0.15 -1.07 -0.02 0.00 -1.72 0.00 0.00 55.73 53.07 2wpk s ARG 83 Cb -0.13 -0.15 -0.05 0.00 -0.45 0.00 0.00 34.95 34.18 2wpk s ARG 83 CO 0.04 -0.01 0.36 -0.80 -0.68 0.00 0.00 175.30 174.21 2wpk s ASN 84 N -2.41 6.43 -0.34 0.23 0.01 -1.26 -4.54 114.94 113.07 2wpk s ASN 84 Ca 0.02 0.47 -0.15 0.00 -0.71 0.00 0.00 52.86 52.49 2wpk s ASN 84 Cb -0.01 -2.04 -0.02 0.00 0.41 0.00 0.00 41.25 39.60 2wpk s ASN 84 CO -0.03 0.02 0.34 -0.69 -1.51 0.00 0.00 177.10 175.22 2wpk s VAL 85 N -1.74 5.19 -0.13 1.60 1.01 -1.02 -1.01 120.40 124.31 2wpk s VAL 85 Ca 0.39 0.03 0.20 0.00 0.00 0.00 0.00 61.98 62.60 2wpk s VAL 85 Cb -0.12 -3.79 -0.18 0.00 0.00 0.00 0.00 36.38 32.30 2wpk s VAL 85 CO 0.27 -0.06 0.68 2.30 0.00 0.00 0.00 175.10 178.29 2wpk n ILE 86 N 5.20 0.74 -3.81 2.22 -5.35 -0.57 -4.77 119.36 113.03 2wpk n ILE 86 Ca -0.10 -0.63 -0.13 0.00 -0.27 0.00 0.00 62.75 61.63 2wpk n ILE 86 Cb 0.50 -0.40 -0.13 0.00 -1.74 0.00 0.00 39.64 37.87 2wpk n ILE 86 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2wpk s ARG 87 N -3.14 0.12 -0.12 6.28 3.52 -1.23 -5.01 118.95 119.36 2wpk s ARG 87 Ca -0.05 0.21 0.02 0.00 -0.13 0.00 0.00 55.73 55.78 2wpk s ARG 87 Cb 0.10 -0.00 0.01 0.00 -1.56 0.00 0.00 34.95 33.50 2wpk s ARG 87 CO 0.84 -0.06 -0.18 0.42 -0.81 0.00 0.00 175.30 175.51 2wpk s ILE 88 N 0.36 1.70 -0.45 4.11 1.01 -1.26 -0.99 121.20 125.67 2wpk s ILE 88 Ca -0.02 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.90 2wpk s ILE 88 Cb -0.04 -1.53 0.12 0.00 0.01 0.00 0.00 42.46 41.03 2wpk s ILE 88 CO -0.01 0.48 0.20 -0.63 0.00 0.00 0.00 174.94 174.97 2wpk s ILE 89 N 0.94 2.24 0.47 2.92 1.01 0.88 -4.96 121.20 124.71 2wpk s ILE 89 Ca -0.06 -2.88 -0.20 0.00 0.00 0.00 0.00 60.65 57.50 2wpk s ILE 89 Cb -0.15 -2.59 -0.09 0.00 0.01 0.00 0.00 42.46 39.64 2wpk s ILE 89 CO -0.02 -0.76 1.01 -2.16 0.00 0.00 0.00 174.94 173.01 2wpk s PRO 90 N 0.18 3.92 0.39 2.79 0.04 -1.26 -0.59 135.00 140.47 2wpk s PRO 90 Ca 0.15 1.29 -0.25 0.00 0.04 0.00 0.00 61.00 62.24 2wpk s PRO 90 Cb -0.24 -2.12 -0.12 0.00 0.04 0.00 0.00 34.50 32.07 2wpk s PRO 90 CO -0.03 -0.32 0.98 1.58 0.04 0.00 0.00 177.00 179.25 2wpk n HIS 91 N -0.87 1.10 0.30 0.56 -0.00 -0.37 -4.83 115.22 111.11 2wpk n HIS 91 Ca 0.09 0.59 0.18 0.00 -0.00 0.00 0.00 57.72 58.58 2wpk n HIS 91 Cb 0.53 -2.22 0.96 0.00 -0.00 0.00 0.00 29.99 29.26 2wpk n HIS 91 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2wpk h HIS 92 N 1.61 0.00 -0.02 1.57 2.07 -1.92 -2.60 115.15 115.86 2wpk h HIS 92 Ca -0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.09 2wpk h HIS 92 Cb 1.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.32 2wpk h HIS 92 CO 0.44 0.03 -0.31 0.09 -3.07 0.00 0.00 177.93 175.11 2wpk n ASN 93 N -3.37 1.98 -4.77 3.10 3.02 -1.26 -4.86 115.26 109.10 2wpk n ASN 93 Ca -0.02 -1.48 -0.41 0.00 -0.03 0.00 0.00 54.58 52.63 2wpk n ASN 93 Cb 0.15 0.29 -0.01 0.00 -0.61 0.00 0.00 39.78 39.59 2wpk n ASN 93 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2wpk s PHE 94 N -2.36 2.78 -1.58 3.10 5.36 -0.98 -1.55 117.98 122.75 2wpk s PHE 94 Ca 0.23 1.14 0.00 0.00 -0.96 0.00 0.00 56.93 57.33 2wpk s PHE 94 Cb 0.19 -3.92 0.00 0.00 -0.34 0.00 0.00 43.02 38.94 2wpk s PHE 94 CO 0.49 -2.79 0.00 0.09 -1.46 0.00 0.00 175.22 171.55 2wpk n ASN 95 N 1.10 -4.92 -0.04 6.13 3.02 -1.26 -4.87 115.26 114.43 2wpk n ASN 95 Ca 0.03 0.20 -0.16 0.00 -0.03 0.00 0.00 54.58 54.63 2wpk n ASN 95 Cb 0.40 -3.94 -0.08 0.00 -0.61 0.00 0.00 39.78 35.55 2wpk n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wpk h ALA 96 N 0.37 0.24 -3.15 5.41 0.00 -1.62 -3.41 119.26 117.10 2wpk h ALA 96 Ca -0.36 -0.49 -0.65 0.00 0.00 0.00 0.00 54.91 53.42 2wpk h ALA 96 Cb 1.17 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.70 2wpk h ALA 96 CO 0.48 0.40 -0.68 0.00 0.00 0.00 0.00 179.25 179.44 2wpk s ALA 97 N -3.81 2.95 0.26 0.00 0.00 -1.26 -5.08 121.76 114.81 2wpk s ALA 97 Ca -0.13 -0.98 -0.31 0.00 0.00 0.00 0.00 51.96 50.55 2wpk s ALA 97 Cb 0.06 -1.67 -0.13 0.00 0.00 0.00 0.00 23.12 21.38 2wpk s ALA 97 CO 0.83 -0.09 1.42 1.51 0.00 0.00 0.00 175.76 179.43 2wpk n ILE 98 N 4.14 1.05 -4.19 0.00 3.06 -1.26 -3.56 119.36 118.60 2wpk n ILE 98 Ca -0.17 -0.26 -0.35 0.00 -2.50 0.00 0.00 62.75 59.46 2wpk n ILE 98 Cb 0.52 -1.54 -0.02 0.00 0.54 0.00 0.00 39.64 39.13 2wpk n ILE 98 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 2wpk n ASN 98 N 2.04 -3.06 -0.06 9.51 3.02 -1.26 -4.89 115.26 120.55 2wpk n ASN 98 Ca 0.11 -1.01 -0.06 0.00 -0.03 0.00 0.00 54.58 53.59 2wpk n ASN 98 Cb 0.33 -2.81 -0.10 0.00 -0.61 0.00 0.00 39.78 36.59 2wpk n ASN 98 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2wpk n THR 98 N -4.40 0.81 -1.11 3.41 -2.24 -1.23 -5.02 114.28 104.50 2wpk n THR 98 Ca 0.04 -0.51 -0.04 0.00 -2.27 0.00 0.00 64.05 61.26 2wpk n THR 98 Cb 0.51 -0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 68.08 2wpk n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2wpk n TYR 99 N -2.44 0.00 -2.37 4.78 4.01 -1.26 -5.01 117.16 114.87 2wpk n TYR 99 Ca -0.19 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.16 2wpk n TYR 99 Cb 0.88 -1.11 -0.03 0.00 -0.31 0.00 0.00 39.34 38.78 2wpk n TYR 99 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2wpk s ASN 100 N -2.52 6.67 -1.15 7.72 2.47 -1.26 -2.73 114.94 124.14 2wpk s ASN 100 Ca 0.00 2.28 -0.07 0.00 0.42 0.00 0.00 52.86 55.49 2wpk s ASN 100 Cb 0.00 -2.61 0.01 0.00 -1.45 0.00 0.00 41.25 37.20 2wpk s ASN 100 CO 0.00 -0.56 0.87 1.41 -3.72 0.00 0.00 177.10 175.09 2wpk n HIS 101 N 0.20 -2.20 -2.48 0.43 8.25 -1.26 -4.37 115.22 113.78 2wpk n HIS 101 Ca 0.04 0.74 -0.43 0.00 -0.26 0.00 0.00 57.72 57.81 2wpk n HIS 101 Cb 0.47 -4.22 -0.00 0.00 1.12 0.00 0.00 29.99 27.36 2wpk n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2wpk n ASP 102 N -2.10 4.79 -3.66 0.41 2.03 -1.10 -4.38 116.55 112.53 2wpk n ASP 102 Ca -0.01 -2.91 -0.15 0.00 0.52 0.00 0.00 54.79 52.24 2wpk n ASP 102 Cb 0.56 -1.74 -0.08 0.00 -0.72 0.00 0.00 41.12 39.14 2wpk n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2wpk s ILE 103 N 4.27 0.01 0.13 5.18 2.07 -1.26 -4.08 121.20 127.53 2wpk s ILE 103 Ca 0.54 -0.12 -0.11 0.00 -1.41 0.00 0.00 60.65 59.55 2wpk s ILE 103 Cb 0.05 -0.78 0.01 0.00 0.13 0.00 0.00 42.46 41.87 2wpk s ILE 103 CO 0.06 -0.06 0.30 0.00 -1.91 0.00 0.00 174.94 173.33 2wpk s ALA 104 N -0.50 -0.38 -0.01 1.50 0.00 0.13 -1.24 121.76 121.27 2wpk s ALA 104 Ca -0.06 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.42 2wpk s ALA 104 Cb -0.03 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 2wpk s ALA 104 CO 0.04 -0.62 -0.21 -0.51 0.00 0.00 0.00 175.76 174.47 2wpk s LEU 105 N -2.89 2.06 -0.10 0.00 1.43 0.24 -0.71 118.68 118.71 2wpk s LEU 105 Ca 0.09 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 2wpk s LEU 105 Cb 0.03 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 45.20 2wpk s LEU 105 CO -0.07 0.24 -0.23 -0.76 0.23 0.00 0.00 176.35 175.76 2wpk s LEU 106 N -0.58 2.07 -0.17 1.79 1.43 0.48 -0.08 118.68 123.61 2wpk s LEU 106 Ca 0.08 -0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 2wpk s LEU 106 Cb -0.08 -1.38 -0.05 0.00 0.03 0.00 0.00 46.19 44.71 2wpk s LEU 106 CO -0.00 0.14 0.14 -0.70 0.23 0.00 0.00 176.35 176.16 2wpk s GLU 107 N 0.43 3.95 0.23 1.70 2.12 -0.16 -0.74 118.70 126.24 2wpk s GLU 107 Ca -0.17 -0.18 -0.15 0.00 0.36 0.00 0.00 54.97 54.83 2wpk s GLU 107 Cb -0.17 -3.34 -0.08 0.00 0.26 0.00 0.00 34.13 30.79 2wpk s GLU 107 CO 0.07 0.46 0.65 -0.51 -0.54 0.00 0.00 175.26 175.39 2wpk s LEU 108 N -0.10 4.23 0.15 2.70 1.43 0.69 -1.51 118.68 126.27 2wpk s LEU 108 Ca 0.11 1.21 -0.12 0.00 -1.03 0.00 0.00 54.13 54.29 2wpk s LEU 108 Cb -0.11 -3.67 0.03 0.00 0.03 0.00 0.00 46.19 42.47 2wpk s LEU 108 CO 0.00 -0.04 1.61 -2.24 0.23 0.00 0.00 176.35 175.92 2wpk h ASP 109 N 2.96 0.88 -3.98 2.29 2.03 -1.41 -3.43 116.42 115.76 2wpk h ASP 109 Ca -0.48 -0.30 -0.49 0.00 -0.73 0.00 0.00 57.03 55.04 2wpk h ASP 109 Cb 1.18 -0.24 -0.30 0.00 -0.83 0.00 0.00 39.33 39.14 2wpk h ASP 109 CO 0.66 0.97 -0.81 -1.61 -1.03 0.00 0.00 179.24 177.42 2wpk s GLU 110 N -5.04 1.25 0.62 4.15 0.41 -1.26 -5.06 118.70 113.78 2wpk s GLU 110 Ca -0.12 -0.46 -0.18 0.00 -0.41 0.00 0.00 54.97 53.80 2wpk s GLU 110 Cb 0.12 -1.15 -0.04 0.00 -1.78 0.00 0.00 34.13 31.27 2wpk s GLU 110 CO 0.83 0.22 0.92 -0.35 -0.49 0.00 0.00 175.26 176.38 2wpk n PRO 111 N 3.05 0.78 -2.93 0.39 -0.04 -1.26 -4.94 135.00 130.05 2wpk n PRO 111 Ca -0.17 0.31 -0.31 0.00 -0.04 0.00 0.00 63.50 63.29 2wpk n PRO 111 Cb 0.54 -2.13 -0.04 0.00 -0.04 0.00 0.00 33.50 31.82 2wpk n PRO 111 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wpk s LEU 112 N -1.98 3.91 -0.39 1.53 1.43 -0.12 -5.01 118.68 118.05 2wpk s LEU 112 Ca 0.76 1.24 -0.16 0.00 -1.03 0.00 0.00 54.13 54.93 2wpk s LEU 112 Cb -0.40 -4.09 0.01 0.00 0.03 0.00 0.00 46.19 41.73 2wpk s LEU 112 CO 0.48 -0.34 0.38 -0.69 0.23 0.00 0.00 176.35 176.41 2wpk s VAL 113 N -2.23 5.15 0.32 -1.59 1.01 -1.26 -4.81 120.40 116.99 2wpk s VAL 113 Ca 0.53 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 2wpk s VAL 113 Cb -0.10 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.24 2wpk s VAL 113 CO 0.25 -0.28 1.24 -0.76 0.00 0.00 0.00 175.10 175.56 2wpk s LEU 114 N 2.00 4.46 0.00 3.92 1.43 -1.26 -4.77 118.68 124.46 2wpk s LEU 114 Ca 0.10 2.56 -0.08 0.00 -1.03 0.00 0.00 54.13 55.68 2wpk s LEU 114 Cb -0.17 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.43 2wpk s LEU 114 CO 0.12 -0.42 0.42 -0.46 0.23 0.00 0.00 176.35 176.25 2wpk n ASN 115 N 0.91 -0.97 0.27 2.29 0.23 -0.33 -4.95 115.26 112.71 2wpk n ASN 115 Ca -0.00 -1.61 0.17 0.00 -0.53 0.00 0.00 54.58 52.61 2wpk n ASN 115 Cb 0.43 1.60 0.83 0.00 -2.08 0.00 0.00 39.78 40.56 2wpk n ASN 115 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2wpk h SER 116 N 0.93 0.00 -0.00 0.53 0.02 -2.00 -0.95 113.55 112.08 2wpk h SER 116 Ca -0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2wpk h SER 116 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2wpk h SER 116 CO 0.19 0.00 -0.59 -1.22 -1.14 0.00 0.00 176.83 174.07 2wpk n TYR 117 N -3.17 0.00 -3.67 3.45 4.01 -1.26 -4.73 117.16 111.80 2wpk n TYR 117 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 2wpk n TYR 117 Cb 0.41 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.31 2wpk n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2wpk s VAL 118 N -2.20 1.13 -0.02 -0.72 1.01 -0.36 -3.58 120.40 115.66 2wpk s VAL 118 Ca 0.06 -2.33 0.02 0.00 0.00 0.00 0.00 61.98 59.73 2wpk s VAL 118 Cb 0.11 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.69 2wpk s VAL 118 CO 0.53 -0.90 -0.06 -0.89 0.00 0.00 0.00 175.10 173.77 2wpk s THR 119 N 0.56 0.55 0.85 3.92 2.01 -0.45 -1.18 115.64 121.90 2wpk s THR 119 Ca 0.17 -0.25 -0.11 0.00 0.31 0.00 0.00 61.69 61.82 2wpk s THR 119 Cb -0.24 -0.50 0.11 0.00 0.01 0.00 0.00 72.50 71.87 2wpk s THR 119 CO -0.00 0.18 1.14 -2.84 -0.69 0.00 0.00 174.62 172.41 2wpk s PRO 120 N 0.18 1.52 0.13 4.92 0.02 -1.26 -2.50 135.00 138.02 2wpk s PRO 120 Ca -0.02 1.48 -0.06 0.00 0.02 0.00 0.00 61.00 62.42 2wpk s PRO 120 Cb -0.07 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.61 2wpk s PRO 120 CO -0.00 -2.24 0.39 -1.50 -0.33 0.00 0.00 177.00 173.31 2wpk s ILE 121 N -2.62 5.15 0.30 2.83 1.10 -0.38 -4.78 121.20 122.80 2wpk s ILE 121 Ca 0.66 0.12 -0.21 0.00 -0.51 0.00 0.00 60.65 60.72 2wpk s ILE 121 Cb -0.22 -3.62 -0.09 0.00 0.15 0.00 0.00 42.46 38.67 2wpk s ILE 121 CO 0.55 0.08 0.82 0.00 -2.11 0.00 0.00 174.94 174.28 2wpk s ILE 123 N -1.73 1.05 0.92 0.00 1.01 -1.26 -1.61 121.20 119.57 2wpk s ILE 123 Ca 0.50 -0.92 -0.16 0.00 0.00 0.00 0.00 60.65 60.08 2wpk s ILE 123 Cb -0.15 -1.44 0.22 0.00 0.01 0.00 0.00 42.46 41.10 2wpk s ILE 123 CO 0.20 -0.16 1.13 0.00 0.00 0.00 0.00 174.94 176.10 2wpk n ALA 124 N 4.85 -1.78 -1.94 9.38 0.00 -1.26 -5.06 120.51 124.69 2wpk n ALA 124 Ca -0.10 -1.51 -0.28 0.00 0.00 0.00 0.00 53.44 51.55 2wpk n ALA 124 Cb 0.45 -0.08 0.14 0.00 0.00 0.00 0.00 19.45 19.96 2wpk n ALA 124 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2wpk s ASP 125 N -5.01 3.79 0.17 0.00 1.47 -1.26 -4.67 116.67 111.16 2wpk s ASP 125 Ca 0.66 0.20 -0.21 0.00 1.18 0.00 0.00 52.55 54.38 2wpk s ASP 125 Cb -0.03 -0.45 0.09 0.00 -0.34 0.00 0.00 42.92 42.18 2wpk s ASP 125 CO 0.47 -2.28 1.61 0.50 0.68 0.00 0.00 175.17 176.15 2wpk h LYS 126 N -1.17 -0.19 -0.08 2.11 3.64 -1.95 0.20 116.57 119.13 2wpk h LYS 126 Ca -0.43 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.00 2wpk h LYS 126 Cb 1.26 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 2wpk h LYS 126 CO 0.45 -0.12 -0.12 1.49 -2.27 0.00 0.00 179.45 178.87 2wpk h GLU 126 N -0.19 -0.16 0.00 1.90 4.81 -1.93 -2.37 114.58 116.63 2wpk h GLU 126 Ca 0.19 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.27 2wpk h GLU 126 Cb 0.50 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2wpk h GLU 126 CO -0.53 -0.11 -0.77 1.88 -0.73 0.00 0.00 179.01 178.76 2wpk h TYR 126 N -0.17 0.00 -0.67 0.92 -1.99 -1.83 -2.19 116.97 111.04 2wpk h TYR 126 Ca 0.07 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.78 2wpk h TYR 126 Cb 0.27 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.96 2wpk h TYR 126 CO -0.22 0.77 0.34 1.15 -0.00 0.00 0.00 178.16 180.20 2wpk h THR 127 N 0.00 1.22 -0.51 -2.88 2.02 -0.52 0.17 112.91 112.41 2wpk h THR 127 Ca -0.01 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.50 2wpk h THR 127 Cb 1.37 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 2wpk h THR 127 CO 0.10 0.25 0.06 -1.13 0.37 0.00 0.00 175.52 175.17 2wpk h ASN 128 N 0.93 0.78 -0.33 4.18 -1.24 -1.30 -0.47 115.58 118.13 2wpk h ASN 128 Ca 0.23 -0.17 -0.07 0.00 0.71 0.00 0.00 56.30 57.01 2wpk h ASN 128 Cb 0.10 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 2wpk h ASN 128 CO -0.03 0.82 -0.05 0.40 -1.29 0.00 0.00 177.43 177.28 2wpk h ILE 129 N 0.78 1.27 -0.67 2.57 2.04 -0.81 -1.23 117.51 121.45 2wpk h ILE 129 Ca 0.16 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 2wpk h ILE 129 Cb 0.39 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 2wpk h ILE 129 CO 0.01 0.35 0.32 -0.26 0.00 0.00 0.00 178.15 178.57 2wpk h PHE 130 N 0.41 0.95 -0.37 1.37 0.04 -0.32 -2.24 116.94 116.78 2wpk h PHE 130 Ca 0.09 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.78 2wpk h PHE 130 Cb 0.53 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 2wpk h PHE 130 CO 0.05 0.69 0.05 1.25 -0.60 0.00 0.00 178.31 179.75 2wpk h LEU 131 N 0.95 0.59 0.00 1.54 6.46 -0.87 -2.43 115.31 121.56 2wpk h LEU 131 Ca 0.23 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2wpk h LEU 131 Cb 0.10 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 2wpk h LEU 131 CO -0.03 0.71 0.00 0.29 -0.62 0.00 0.00 178.44 178.79 2wpk n LYS 132 N -4.55 0.02 0.29 1.25 5.02 -0.49 -0.65 118.16 119.05 2wpk n LYS 132 Ca -0.01 0.34 0.17 0.00 -2.02 0.00 0.00 58.31 56.78 2wpk n LYS 132 Cb 0.23 -1.50 0.86 0.00 -0.02 0.00 0.00 35.03 34.60 2wpk n LYS 132 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2wpk h PHE 133 N 0.00 0.00 0.00 2.13 0.04 -1.25 -3.46 116.94 114.40 2wpk h PHE 133 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2wpk h PHE 133 Cb 0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.17 2wpk h PHE 133 CO 0.00 0.06 0.00 0.41 -0.60 0.00 0.00 178.31 178.18 2wpk n GLY 134 N -0.67 0.58 3.19 -1.45 0.00 0.17 -5.00 105.19 102.02 2wpk n GLY 134 Ca -0.02 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 2wpk n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wpk s SER 135 N -2.10 -0.24 0.24 1.61 0.15 -1.26 -0.56 113.70 111.54 2wpk s SER 135 Ca 0.00 0.82 -0.01 0.00 0.70 0.00 0.00 55.95 57.46 2wpk s SER 135 Cb 0.00 0.89 -0.03 0.00 -1.71 0.00 0.00 66.02 65.17 2wpk s SER 135 CO 0.00 -0.21 0.23 -0.83 1.20 0.00 0.00 173.24 173.62 2wpk s GLY 136 N 1.95 1.49 0.00 9.45 0.00 -0.84 -4.64 107.32 114.73 2wpk s GLY 136 Ca -0.05 -1.65 0.04 0.00 0.00 0.00 0.00 44.72 43.06 2wpk s GLY 136 CO -0.11 -1.29 -0.11 -0.19 0.00 0.00 0.00 173.10 171.40 2wpk s TYR 137 N -3.94 2.77 0.09 1.90 1.51 0.98 -0.45 117.35 120.21 2wpk s TYR 137 Ca 0.37 -0.11 0.08 0.00 -1.01 0.00 0.00 57.07 56.39 2wpk s TYR 137 Cb 0.05 -1.58 -0.03 0.00 -0.11 0.00 0.00 41.96 40.29 2wpk s TYR 137 CO 0.15 0.31 -0.22 0.14 -1.11 0.00 0.00 175.55 174.82 2wpk s VAL 138 N -0.92 1.79 0.09 0.71 -7.23 -0.06 -0.48 120.40 114.30 2wpk s VAL 138 Ca 0.15 -1.46 -0.12 0.00 -1.81 0.00 0.00 61.98 58.74 2wpk s VAL 138 Cb -0.11 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 35.25 2wpk s VAL 138 CO 0.05 0.06 0.27 -0.94 -0.31 0.00 0.00 175.10 174.23 2wpk s SER 139 N -1.68 -0.02 0.00 4.85 1.04 -1.24 -0.57 113.70 116.08 2wpk s SER 139 Ca 0.08 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2wpk s SER 139 Cb -0.10 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2wpk s SER 139 CO 0.04 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.12 2wpk n GLY 140 N 0.01 -0.11 1.24 7.32 0.00 -0.58 -4.49 105.19 108.59 2wpk n GLY 140 Ca -0.16 -1.21 0.08 0.00 0.00 0.00 0.00 46.02 44.73 2wpk n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wpk n TRP 141 N -0.85 1.28 -0.26 1.61 8.01 -1.26 -1.73 117.44 124.24 2wpk n TRP 141 Ca 0.00 -0.75 -0.01 0.00 -1.31 0.00 0.00 57.50 55.43 2wpk n TRP 141 Cb 0.00 -0.32 0.01 0.00 -2.01 0.00 0.00 31.31 28.99 2wpk n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wpk n GLY 142 N 0.19 -3.10 3.75 6.99 0.00 -1.26 -2.10 105.19 109.67 2wpk n GLY 142 Ca 0.23 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 2wpk n GLY 142 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wpk s ARG 143 N -3.08 4.22 0.00 1.61 0.52 -0.28 -1.88 118.95 120.05 2wpk s ARG 143 Ca 0.03 2.40 0.22 0.00 -0.52 0.00 0.00 55.73 57.85 2wpk s ARG 143 Cb -0.00 -3.07 0.56 0.00 0.52 0.00 0.00 34.95 32.95 2wpk s ARG 143 CO 0.02 -0.48 1.46 1.33 0.02 0.00 0.00 175.30 177.65 2wpk n VAL 144 N 2.02 0.38 -3.67 3.52 0.24 -0.70 -1.44 118.33 118.69 2wpk n VAL 144 Ca 0.06 -0.57 -0.14 0.00 -2.04 0.00 0.00 64.34 61.66 2wpk n VAL 144 Cb 0.39 0.68 -0.08 0.00 -1.47 0.00 0.00 33.84 33.36 2wpk n VAL 144 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2wpk s PHE 145 N -1.62 -0.60 0.10 6.34 0.08 -1.26 -4.30 117.98 116.72 2wpk s PHE 145 Ca 0.35 1.41 -0.34 0.00 0.12 0.00 0.00 56.93 58.48 2wpk s PHE 145 Cb 0.20 0.22 -0.13 0.00 -0.57 0.00 0.00 43.02 42.74 2wpk s PHE 145 CO 0.29 -0.33 1.65 1.58 -0.10 0.00 0.00 175.22 178.30 2wpk n HIS 147 N 2.52 2.27 -1.55 0.36 -0.00 -1.26 0.49 115.22 118.05 2wpk n HIS 147 Ca -0.15 0.21 -0.19 0.00 -0.00 0.00 0.00 57.72 57.60 2wpk n HIS 147 Cb 0.56 -2.57 -0.08 0.00 -0.00 0.00 0.00 29.99 27.90 2wpk n HIS 147 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2wpk n LYS 148 N 4.18 -1.43 -0.77 1.57 5.02 -1.26 -4.95 118.16 120.51 2wpk n LYS 148 Ca 0.18 1.12 0.00 0.00 -2.02 0.00 0.00 58.31 57.60 2wpk n LYS 148 Cb 0.29 -5.48 0.00 0.00 -0.02 0.00 0.00 35.03 29.82 2wpk n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wpk n GLY 149 N -0.33 2.24 3.79 0.72 0.00 0.18 -5.10 105.19 106.68 2wpk n GLY 149 Ca -0.19 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.40 2wpk n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wpk s ARG 150 N -0.59 2.84 0.49 1.61 1.70 -1.26 -4.77 118.95 118.97 2wpk s ARG 150 Ca 0.00 1.20 -0.11 0.00 -0.47 0.00 0.00 55.73 56.36 2wpk s ARG 150 Cb 0.00 -1.97 -0.06 0.00 -0.57 0.00 0.00 34.95 32.36 2wpk s ARG 150 CO 0.00 -1.19 0.88 -1.12 -1.08 0.00 0.00 175.30 172.79 2wpk s SER 151 N -3.06 6.42 0.27 -2.89 0.01 -1.26 -1.72 113.70 111.47 2wpk s SER 151 Ca 0.63 1.25 -0.20 0.00 1.31 0.00 0.00 55.95 58.93 2wpk s SER 151 Cb -0.17 -2.38 -0.09 0.00 0.21 0.00 0.00 66.02 63.59 2wpk s SER 151 CO 0.46 -0.58 0.78 0.00 0.41 0.00 0.00 173.24 174.31 2wpk s ALA 152 N -2.68 3.34 -0.11 1.44 0.00 -0.79 -4.83 121.76 118.12 2wpk s ALA 152 Ca 0.53 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.73 2wpk s ALA 152 Cb -0.10 -2.90 -0.25 0.00 0.00 0.00 0.00 23.12 19.87 2wpk s ALA 152 CO 0.39 0.29 0.40 1.28 0.00 0.00 0.00 175.76 178.11 2wpk n LEU 153 N 0.43 2.04 -4.73 0.00 4.77 -1.26 -4.79 117.00 113.46 2wpk n LEU 153 Ca 0.00 0.24 -0.35 0.00 -0.03 0.00 0.00 56.01 55.86 2wpk n LEU 153 Cb 0.51 -0.66 -0.08 0.00 -2.33 0.00 0.00 43.42 40.86 2wpk n LEU 153 CO 0.43 0.71 -0.21 -0.69 -1.33 0.00 0.00 177.39 176.29 2wpk s VAL 154 N -2.56 5.12 0.12 4.08 1.01 -1.26 0.06 120.40 126.96 2wpk s VAL 154 Ca -0.18 0.08 -0.35 0.00 0.00 0.00 0.00 61.98 61.53 2wpk s VAL 154 Cb 0.07 -3.28 -0.16 0.00 0.00 0.00 0.00 36.38 33.00 2wpk s VAL 154 CO 0.78 0.50 1.24 -0.11 0.00 0.00 0.00 175.10 177.51 2wpk n LEU 155 N 3.04 1.47 -4.70 3.92 7.94 -0.44 -4.81 117.00 123.42 2wpk n LEU 155 Ca -0.17 1.13 -0.29 0.00 -1.11 0.00 0.00 56.01 55.57 2wpk n LEU 155 Cb 0.53 -1.19 -0.07 0.00 0.53 0.00 0.00 43.42 43.22 2wpk n LEU 155 CO 0.34 -1.23 -0.31 -1.10 -1.11 0.00 0.00 177.39 173.99 2wpk s GLN 156 N 0.06 2.59 0.04 1.96 -1.52 -0.70 -0.75 119.66 121.33 2wpk s GLN 156 Ca 0.80 -0.91 -0.04 0.00 -1.95 0.00 0.00 55.36 53.26 2wpk s GLN 156 Cb -0.92 -2.52 -0.02 0.00 -0.22 0.00 0.00 33.01 29.33 2wpk s GLN 156 CO 0.50 0.51 0.06 1.52 -0.25 0.00 0.00 175.29 177.63 2wpk s TYR 157 N -1.50 0.27 -0.16 0.91 -0.85 -0.44 -1.52 117.35 114.06 2wpk s TYR 157 Ca 0.27 -0.63 -0.17 0.00 -0.52 0.00 0.00 57.07 56.02 2wpk s TYR 157 Cb -0.11 -0.19 0.05 0.00 0.38 0.00 0.00 41.96 42.08 2wpk s TYR 157 CO 0.19 -0.35 0.48 -1.17 -1.52 0.00 0.00 175.55 173.18 2wpk s LEU 158 N -2.24 0.17 -0.12 -3.49 2.96 0.27 -1.48 118.68 114.75 2wpk s LEU 158 Ca -0.03 0.90 -0.18 0.00 -0.22 0.00 0.00 54.13 54.60 2wpk s LEU 158 Cb -0.00 1.67 -0.04 0.00 0.50 0.00 0.00 46.19 48.32 2wpk s LEU 158 CO -0.06 -0.21 0.48 -0.60 -1.32 0.00 0.00 176.35 174.64 2wpk s ARG 159 N 0.08 4.33 -0.04 1.98 3.52 -1.26 -0.88 118.95 126.69 2wpk s ARG 159 Ca -0.01 0.45 0.02 0.00 -0.13 0.00 0.00 55.73 56.05 2wpk s ARG 159 Cb -0.03 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.94 2wpk s ARG 159 CO 0.01 0.17 -0.08 0.14 -0.81 0.00 0.00 175.30 174.73 2wpk s VAL 160 N 0.59 0.76 0.39 7.11 -7.23 0.40 -4.97 120.40 117.44 2wpk s VAL 160 Ca 0.26 -0.30 -0.19 0.00 -1.81 0.00 0.00 61.98 59.94 2wpk s VAL 160 Cb -0.15 -0.71 -0.10 0.00 0.56 0.00 0.00 36.38 35.98 2wpk s VAL 160 CO 0.10 0.26 0.87 -2.16 -0.31 0.00 0.00 175.10 173.86 2wpk s PRO 161 N 0.52 4.14 0.49 4.82 0.04 -1.26 -1.99 135.00 141.75 2wpk s PRO 161 Ca -0.08 0.94 -0.22 0.00 0.04 0.00 0.00 61.00 61.68 2wpk s PRO 161 Cb -0.12 -2.28 -0.07 0.00 0.04 0.00 0.00 34.50 32.08 2wpk s PRO 161 CO 0.01 0.04 1.19 -1.17 0.04 0.00 0.00 177.00 177.10 2wpk s LEU 162 N -3.12 3.94 -0.10 -3.56 2.96 0.27 -1.91 118.68 117.17 2wpk s LEU 162 Ca 0.59 2.35 0.01 0.00 -0.22 0.00 0.00 54.13 56.86 2wpk s LEU 162 Cb -0.09 -4.31 -0.02 0.00 0.50 0.00 0.00 46.19 42.27 2wpk s LEU 162 CO 0.15 -1.07 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.31 2wpk s VAL 163 N -1.55 3.26 0.34 1.68 1.01 -0.51 -4.86 120.40 119.77 2wpk s VAL 163 Ca 0.66 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 2wpk s VAL 163 Cb -0.29 -2.34 -0.11 0.00 0.00 0.00 0.00 36.38 33.63 2wpk s VAL 163 CO 0.35 0.56 1.49 -0.90 0.00 0.00 0.00 175.10 176.60 2wpk n ASP 164 N 2.90 3.66 -0.22 3.32 5.75 -1.26 -4.52 116.55 126.18 2wpk n ASP 164 Ca -0.18 1.20 0.02 0.00 -0.01 0.00 0.00 54.79 55.83 2wpk n ASP 164 Cb 0.53 -1.59 0.14 0.00 -1.03 0.00 0.00 41.12 39.16 2wpk n ASP 164 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 2wpk h ARG 165 N 3.48 0.30 -0.83 0.11 2.43 -1.98 -0.67 114.38 117.21 2wpk h ARG 165 Ca -0.49 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2wpk h ARG 165 Cb 1.24 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 2wpk h ARG 165 CO 0.69 0.20 0.53 0.00 -1.51 0.00 0.00 179.97 179.88 2wpk h ALA 166 N 1.52 1.37 -0.27 2.80 0.00 -1.99 0.33 119.26 123.02 2wpk h ALA 166 Ca 0.35 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 2wpk h ALA 166 Cb 0.54 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2wpk h ALA 166 CO -0.42 0.57 -0.09 1.15 0.00 0.00 0.00 179.25 180.45 2wpk h THR 167 N 1.14 1.29 0.09 0.00 2.02 -1.70 -2.31 112.91 113.44 2wpk h THR 167 Ca 0.30 -1.14 0.01 0.00 0.77 0.00 0.00 66.41 66.35 2wpk h THR 167 Cb -0.10 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 2wpk h THR 167 CO -0.06 0.36 -0.44 0.00 0.37 0.00 0.00 175.52 175.75 2wpk h LEU 169 N -0.62 0.26 -0.06 0.00 4.07 -0.34 -0.83 115.31 117.79 2wpk h LEU 169 Ca -0.00 0.17 0.00 0.00 0.08 0.00 0.00 57.88 58.13 2wpk h LEU 169 Cb 0.63 0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.54 2wpk h LEU 169 CO -0.24 -0.06 0.00 0.54 -1.08 0.00 0.00 178.44 177.59 2wpk n ARG 170 N -5.10 0.13 0.05 1.13 1.74 -0.85 -3.57 116.66 110.20 2wpk n ARG 170 Ca 0.23 0.15 0.12 0.00 -0.77 0.00 0.00 57.85 57.58 2wpk n ARG 170 Cb 0.71 -1.67 0.49 0.00 -1.02 0.00 0.00 32.46 30.96 2wpk n ARG 170 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2wpk n SER 171 N -1.90 0.37 -3.81 0.55 3.41 -0.32 -4.87 113.62 107.06 2wpk n SER 171 Ca 0.06 0.55 -0.11 0.00 -0.26 0.00 0.00 58.87 59.11 2wpk n SER 171 Cb 0.36 -0.64 -0.08 0.00 -0.26 0.00 0.00 64.21 63.58 2wpk n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2wpk s THR 172 N -3.08 0.09 -0.28 6.66 -1.32 -1.23 -4.77 115.64 111.71 2wpk s THR 172 Ca 0.11 -0.78 0.19 0.00 -1.21 0.00 0.00 61.69 60.00 2wpk s THR 172 Cb 0.14 -0.87 0.20 0.00 -1.51 0.00 0.00 72.50 70.46 2wpk s THR 172 CO 0.50 -0.43 1.53 0.11 -2.21 0.00 0.00 174.62 174.12 2wpk h LYS 173 N 3.46 0.00 -7.23 7.08 1.79 -1.89 -3.46 116.57 116.32 2wpk h LYS 173 Ca -0.32 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.65 2wpk h LYS 173 Cb 1.19 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 31.94 2wpk h LYS 173 CO 0.46 0.26 0.36 -0.06 -1.08 0.00 0.00 179.45 179.40 2wpk s PHE 174 N -3.09 2.72 0.09 -1.35 0.08 -1.26 -5.00 117.98 110.16 2wpk s PHE 174 Ca 0.05 1.53 -0.29 0.00 0.12 0.00 0.00 56.93 58.35 2wpk s PHE 174 Cb 0.06 -3.10 -0.06 0.00 -0.57 0.00 0.00 43.02 39.36 2wpk s PHE 174 CO 0.71 -1.56 0.91 0.99 -0.10 0.00 0.00 175.22 176.16 2wpk s THR 175 N -2.51 4.57 -0.29 0.64 2.01 -1.26 -5.04 115.64 113.77 2wpk s THR 175 Ca 0.65 1.94 -0.03 0.00 0.31 0.00 0.00 61.69 64.56 2wpk s THR 175 Cb -0.19 -4.26 0.04 0.00 0.01 0.00 0.00 72.50 68.10 2wpk s THR 175 CO 0.44 0.33 0.00 -0.63 -0.69 0.00 0.00 174.62 174.07 2wpk s ILE 176 N -0.00 3.13 0.75 1.82 -1.09 -1.26 -5.05 121.20 119.50 2wpk s ILE 176 Ca 0.45 -1.21 -0.05 0.00 -2.23 0.00 0.00 60.65 57.61 2wpk s ILE 176 Cb -0.22 -2.73 0.12 0.00 -1.58 0.00 0.00 42.46 38.05 2wpk s ILE 176 CO 0.28 -0.02 1.05 0.42 -1.23 0.00 0.00 174.94 175.43 2wpk s THR 177 N 1.31 2.18 -2.00 2.92 -4.23 -1.26 -4.95 115.64 109.60 2wpk s THR 177 Ca -0.03 -0.42 0.09 0.00 -1.18 0.00 0.00 61.69 60.15 2wpk s THR 177 Cb -0.19 -2.76 0.26 0.00 1.34 0.00 0.00 72.50 71.15 2wpk s THR 177 CO -0.01 0.00 1.14 -0.46 -0.54 0.00 0.00 174.62 174.75 2wpk n ASN 178 N -3.00 0.00 -1.16 3.99 2.04 -1.26 -2.05 115.26 113.82 2wpk n ASN 178 Ca 0.13 -1.19 0.08 0.00 -0.44 0.00 0.00 54.58 53.16 2wpk n ASN 178 Cb 0.60 0.00 0.28 0.00 -2.53 0.00 0.00 39.78 38.14 2wpk n ASN 178 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2wpk n ASN 179 N -0.69 4.18 -4.18 0.53 3.02 -1.26 -4.94 115.26 111.91 2wpk n ASN 179 Ca 0.07 -2.64 -0.11 0.00 -0.03 0.00 0.00 54.58 51.87 2wpk n ASN 179 Cb 0.03 -0.51 -0.10 0.00 -0.61 0.00 0.00 39.78 38.59 2wpk n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wpk s MET 180 N -2.17 0.94 0.09 3.52 -1.94 -0.87 -1.37 119.30 117.50 2wpk s MET 180 Ca 0.42 -1.43 -0.12 0.00 -1.71 0.00 0.00 55.69 52.85 2wpk s MET 180 Cb 0.30 -0.04 0.02 0.00 2.01 0.00 0.00 34.83 37.12 2wpk s MET 180 CO 0.16 -0.15 0.29 -0.59 -0.01 0.00 0.00 175.02 174.72 2wpk s PHE 181 N -3.80 -0.04 0.04 -0.03 -0.12 -0.43 -4.76 117.98 108.85 2wpk s PHE 181 Ca 0.19 -0.29 0.01 0.00 -0.05 0.00 0.00 56.93 56.80 2wpk s PHE 181 Cb 0.07 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.51 2wpk s PHE 181 CO -0.00 -0.59 0.09 0.00 -0.05 0.00 0.00 175.22 174.67 2wpk s ALA 183 N -1.30 -1.25 0.00 0.00 0.00 -0.95 -1.43 121.76 116.83 2wpk s ALA 183 Ca 0.27 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.65 2wpk s ALA 183 Cb -0.12 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.18 2wpk s ALA 183 CO 0.18 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.12 2wpk n GLY 184 N 2.79 -0.81 3.60 0.00 0.00 -0.80 -1.39 105.19 108.59 2wpk n GLY 184 Ca -0.13 -1.58 -0.32 0.00 0.00 0.00 0.00 46.02 43.99 2wpk n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wpk s PHE 184 N -1.97 2.90 0.50 1.61 0.40 -1.26 -4.36 117.98 115.81 2wpk s PHE 184 Ca 0.00 -0.03 0.16 0.00 -0.60 0.00 0.00 56.93 56.46 2wpk s PHE 184 Cb 0.00 -1.61 1.23 0.00 0.51 0.00 0.00 43.02 43.15 2wpk s PHE 184 CO 0.00 0.38 2.11 0.45 0.70 0.00 0.00 175.22 178.86 2wpk h HIS 185 N 4.46 0.08 -0.01 0.36 3.86 -1.98 -1.79 115.15 120.14 2wpk h HIS 185 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2wpk h HIS 185 Cb 1.17 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.61 2wpk h HIS 185 CO 0.58 0.05 -0.19 0.39 0.86 0.00 0.00 177.93 179.62 2wpk n GLU 186 N -4.50 0.72 0.00 2.45 -0.58 -1.26 -3.45 120.64 114.02 2wpk n GLU 186 Ca 0.00 -0.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.40 2wpk n GLU 186 Cb 0.18 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 2wpk n GLU 186 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wpk n GLY 187 N 1.32 -0.90 2.79 0.62 0.00 -0.68 -4.37 105.19 103.97 2wpk n GLY 187 Ca 0.13 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2wpk n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wpk n GLY 188 N 0.00 2.80 2.98 -0.02 0.00 0.86 -4.85 105.19 106.96 2wpk n GLY 188 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2wpk n GLY 188 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wpk s ARG 188 N -0.09 1.62 -0.03 1.61 0.52 -1.26 -3.79 118.95 117.53 2wpk s ARG 188 Ca 0.00 -0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 54.56 2wpk s ARG 188 Cb 0.00 -1.47 0.11 0.00 0.52 0.00 0.00 34.95 34.11 2wpk s ARG 188 CO 0.00 -0.09 1.11 0.34 0.02 0.00 0.00 175.30 176.68 2wpk s ASP 189 N 1.07 -0.18 0.83 0.23 2.15 -0.73 -4.43 116.67 115.61 2wpk s ASP 189 Ca -0.07 -0.12 -0.11 0.00 0.43 0.00 0.00 52.55 52.68 2wpk s ASP 189 Cb -0.14 0.27 0.13 0.00 -0.30 0.00 0.00 42.92 42.87 2wpk s ASP 189 CO -0.01 -0.47 1.17 -0.94 -0.17 0.00 0.00 175.17 174.75 2wpk s SER 190 N -2.62 4.04 0.22 -0.34 1.04 -1.26 0.44 113.70 115.22 2wpk s SER 190 Ca 0.10 0.38 -0.08 0.00 0.48 0.00 0.00 55.95 56.84 2wpk s SER 190 Cb 0.00 -0.73 0.03 0.00 0.10 0.00 0.00 66.02 65.43 2wpk s SER 190 CO -0.04 -2.14 0.44 0.00 0.98 0.00 0.00 173.24 172.47 2wpk n GLN 192 N -0.31 1.27 0.00 0.00 1.13 -1.26 -0.62 117.38 117.59 2wpk n GLN 192 Ca -0.05 0.45 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 2wpk n GLN 192 Cb 0.34 -2.00 0.00 0.00 0.11 0.00 0.00 30.24 28.69 2wpk n GLN 192 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wpk n GLY 193 N 2.14 3.40 0.12 1.08 0.00 -1.26 -1.13 105.19 109.54 2wpk n GLY 193 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 2wpk n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wpk h ASP 194 N 0.00 0.00 -2.38 1.61 3.32 -1.14 -3.31 116.42 114.52 2wpk h ASP 194 Ca 0.00 -0.08 -0.61 0.00 0.02 0.00 0.00 57.03 56.36 2wpk h ASP 194 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 2wpk h ASP 194 CO 0.00 0.04 -0.18 -1.20 -1.72 0.00 0.00 179.24 176.18 2wpk n SER 195 N -2.48 0.01 0.00 6.45 7.64 -1.26 -1.67 113.62 122.32 2wpk n SER 195 Ca 0.03 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.93 2wpk n SER 195 Cb 0.48 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 2wpk n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wpk n GLY 196 N 1.56 2.90 3.68 0.23 0.00 -0.61 0.50 105.19 113.43 2wpk n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2wpk n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wpk s GLY 197 N -1.48 1.66 0.29 -0.02 0.00 -0.67 -3.31 107.32 103.80 2wpk s GLY 197 Ca 0.00 0.34 -0.09 0.00 0.00 0.00 0.00 44.72 44.96 2wpk s GLY 197 CO 0.00 0.79 0.63 2.56 0.00 0.00 0.00 173.10 177.07 2wpk s PRO 198 N -4.72 3.79 -0.27 2.90 0.04 -1.26 -1.71 135.00 133.77 2wpk s PRO 198 Ca 0.65 0.31 -0.05 0.00 0.04 0.00 0.00 61.00 61.95 2wpk s PRO 198 Cb -0.21 -2.56 0.01 0.00 0.04 0.00 0.00 34.50 31.78 2wpk s PRO 198 CO 0.58 0.19 0.03 -1.58 0.04 0.00 0.00 177.00 176.26 2wpk s HIS 199 N -2.02 3.09 0.07 0.56 2.46 -0.59 -3.60 115.29 115.26 2wpk s HIS 199 Ca 0.48 -1.05 0.08 0.00 0.47 0.00 0.00 55.06 55.04 2wpk s HIS 199 Cb -0.11 -2.18 -0.03 0.00 -0.13 0.00 0.00 32.58 30.13 2wpk s HIS 199 CO 0.25 -0.59 -0.22 0.14 -2.47 0.00 0.00 174.74 171.86 2wpk s VAL 200 N 1.47 1.76 -0.13 0.89 -7.23 0.37 -1.23 120.40 116.30 2wpk s VAL 200 Ca 0.03 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 2wpk s VAL 200 Cb -0.16 -1.56 -0.01 0.00 0.56 0.00 0.00 36.38 35.21 2wpk s VAL 200 CO -0.00 0.10 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.86 2wpk s THR 201 N -0.96 2.92 -0.26 5.32 2.01 -0.05 -0.01 115.64 124.62 2wpk s THR 201 Ca 0.08 -0.70 -0.20 0.00 0.31 0.00 0.00 61.69 61.17 2wpk s THR 201 Cb -0.09 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 2wpk s THR 201 CO 0.03 0.53 0.61 -0.70 -0.69 0.00 0.00 174.62 174.40 2wpk s GLU 202 N 0.40 4.09 -0.49 4.92 2.12 -1.26 -0.00 118.70 128.48 2wpk s GLU 202 Ca -0.11 0.50 -0.02 0.00 0.36 0.00 0.00 54.97 55.70 2wpk s GLU 202 Cb -0.16 -3.65 0.13 0.00 0.26 0.00 0.00 34.13 30.70 2wpk s GLU 202 CO 0.05 -0.41 0.28 0.08 -0.54 0.00 0.00 175.26 174.72 2wpk s VAL 203 N 2.48 3.31 -1.05 3.70 1.01 -0.05 -4.75 120.40 125.04 2wpk s VAL 203 Ca 0.25 -2.49 -0.17 0.00 0.00 0.00 0.00 61.98 59.57 2wpk s VAL 203 Cb -0.15 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 2wpk s VAL 203 CO 0.09 -0.76 0.75 -0.62 0.00 0.00 0.00 175.10 174.56 2wpk n GLU 204 N 4.07 -1.19 0.00 2.72 1.02 -1.26 -1.99 120.64 124.00 2wpk n GLU 204 Ca 0.02 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 2wpk n GLU 204 Cb 0.39 -3.90 0.00 0.00 -0.02 0.00 0.00 31.44 27.91 2wpk n GLU 204 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wpk n GLY 205 N -1.72 3.03 3.45 0.62 0.00 -1.26 -4.99 105.19 104.32 2wpk n GLY 205 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 2wpk n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wpk s THR 206 N -1.18 4.66 0.11 2.61 2.01 -0.84 -5.08 115.64 117.92 2wpk s THR 206 Ca 0.00 -0.41 -0.29 0.00 0.31 0.00 0.00 61.69 61.30 2wpk s THR 206 Cb 0.00 -3.38 -0.06 0.00 0.01 0.00 0.00 72.50 69.07 2wpk s THR 206 CO 0.00 0.06 0.92 -0.44 -0.69 0.00 0.00 174.62 174.46 2wpk s SER 207 N 1.62 7.45 0.02 3.53 0.01 -1.26 -0.87 113.70 124.20 2wpk s SER 207 Ca 0.05 1.74 0.07 0.00 1.31 0.00 0.00 55.95 59.11 2wpk s SER 207 Cb -0.17 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.47 2wpk s SER 207 CO 0.07 -0.03 -0.20 -0.36 0.41 0.00 0.00 173.24 173.12 2wpk s PHE 208 N -0.12 2.50 -0.36 2.43 0.40 1.00 -2.96 117.98 120.86 2wpk s PHE 208 Ca 0.45 -0.30 -0.29 0.00 -0.60 0.00 0.00 56.93 56.19 2wpk s PHE 208 Cb -0.23 -1.48 0.01 0.00 0.51 0.00 0.00 43.02 41.84 2wpk s PHE 208 CO 0.29 0.18 1.24 -1.17 0.70 0.00 0.00 175.22 176.45 2wpk s LEU 209 N -1.18 3.79 -0.01 -0.37 2.96 -0.63 -0.87 118.68 122.36 2wpk s LEU 209 Ca 0.13 0.95 0.11 0.00 -0.22 0.00 0.00 54.13 55.10 2wpk s LEU 209 Cb -0.10 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.88 2wpk s LEU 209 CO 0.03 -1.13 0.26 0.35 -1.32 0.00 0.00 176.35 174.54 2wpk n THR 210 N 6.41 0.00 -3.90 3.68 -2.24 -0.38 -4.82 114.28 113.04 2wpk n THR 210 Ca 0.14 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 2wpk n THR 210 Cb 0.47 0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 69.00 2wpk n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wpk s GLY 211 N -3.17 0.38 -0.07 3.38 0.00 -0.36 -3.22 107.32 104.26 2wpk s GLY 211 Ca -0.03 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 43.99 2wpk s GLY 211 CO 0.46 -0.38 -0.12 -0.42 0.00 0.00 0.00 173.10 172.64 2wpk s ILE 212 N -3.31 1.10 0.03 0.90 1.01 -0.66 -1.55 121.20 118.73 2wpk s ILE 212 Ca 0.17 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 2wpk s ILE 212 Cb -0.04 -1.02 -0.08 0.00 0.01 0.00 0.00 42.46 41.33 2wpk s ILE 212 CO 0.10 0.35 1.87 -0.63 0.00 0.00 0.00 174.94 176.63 2wpk s ILE 213 N 0.76 3.06 0.08 2.92 1.01 -0.69 -0.40 121.20 127.93 2wpk s ILE 213 Ca -0.13 0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 2wpk s ILE 213 Cb -0.15 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 39.19 2wpk s ILE 213 CO 0.03 -0.01 -0.01 -0.24 0.00 0.00 0.00 174.94 174.70 2wpk n SER 214 N 7.05 1.03 -2.70 3.58 2.88 -1.05 -1.58 113.62 122.83 2wpk n SER 214 Ca 0.19 0.13 -0.06 0.00 -1.33 0.00 0.00 58.87 57.80 2wpk n SER 214 Cb 0.41 -0.32 0.02 0.00 -0.75 0.00 0.00 64.21 63.57 2wpk n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2wpk n TRP 215 N -3.42 -1.88 -0.26 0.66 4.27 -0.98 -4.90 117.44 110.93 2wpk n TRP 215 Ca -0.01 -1.44 0.00 0.00 -3.89 0.00 0.00 57.50 52.16 2wpk n TRP 215 Cb 0.02 0.72 0.00 0.00 -1.36 0.00 0.00 31.31 30.69 2wpk n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2wpk n GLY 216 N -0.52 -1.26 3.27 -1.67 0.00 -1.26 -0.58 105.19 103.17 2wpk n GLY 216 Ca -0.06 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 2wpk n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wpk s GLU 217 N -1.85 2.60 2.63 1.61 2.02 -1.26 -4.98 118.70 119.47 2wpk s GLU 217 Ca 0.00 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 53.73 2wpk s GLU 217 Cb 0.00 -3.56 0.00 0.00 0.10 0.00 0.00 34.13 30.67 2wpk s GLU 217 CO 0.00 -0.75 0.00 0.39 0.02 0.00 0.00 175.26 174.92 2wpk n GLU 219 N 4.84 0.00 -4.08 1.61 1.02 -1.26 -4.76 120.64 118.01 2wpk n GLU 219 Ca -0.11 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.88 2wpk n GLU 219 Cb 0.44 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.72 2wpk n GLU 219 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wpk n ALA 221 N 3.00 -0.47 -2.40 0.00 0.00 -1.26 -4.67 120.51 114.70 2wpk n ALA 221 Ca -0.13 0.21 -0.39 0.00 0.00 0.00 0.00 53.44 53.13 2wpk n ALA 221 Cb 0.59 -1.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 2wpk n ALA 221 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2wpk s MET 221 N -4.22 4.33 0.15 0.00 1.00 -1.26 -0.10 119.30 119.20 2wpk s MET 221 Ca 0.00 0.80 -0.33 0.00 0.00 0.00 0.00 55.69 56.16 2wpk s MET 221 Cb 0.00 -3.32 -0.13 0.00 0.00 0.00 0.00 34.83 31.38 2wpk s MET 221 CO 0.00 0.42 1.65 1.17 0.00 0.00 0.00 175.02 178.27 2wpk n LYS 222 N 2.47 2.33 -0.01 2.03 4.81 -1.26 -1.23 118.16 127.30 2wpk n LYS 222 Ca -0.07 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 2wpk n LYS 222 Cb 0.51 -2.64 0.00 0.00 0.02 0.00 0.00 35.03 32.91 2wpk n LYS 222 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wpk n GLY 223 N 3.68 0.43 3.47 3.14 0.00 -1.22 -4.95 105.19 109.73 2wpk n GLY 223 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 2wpk n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wpk s LYS 224 N -0.86 1.69 0.22 1.61 -0.14 -0.37 -4.67 119.74 117.22 2wpk s LYS 224 Ca 0.00 -1.44 0.02 0.00 -1.36 0.00 0.00 55.97 53.20 2wpk s LYS 224 Cb 0.00 -1.95 -0.05 0.00 -1.68 0.00 0.00 37.83 34.15 2wpk s LYS 224 CO 0.00 0.41 0.02 0.71 -0.76 0.00 0.00 175.35 175.73 2wpk s TYR 225 N -1.66 1.43 0.28 3.18 2.02 -1.26 -4.67 117.35 116.67 2wpk s TYR 225 Ca 0.22 -1.02 -0.26 0.00 -0.37 0.00 0.00 57.07 55.64 2wpk s TYR 225 Cb -0.08 -0.83 -0.09 0.00 -0.40 0.00 0.00 41.96 40.56 2wpk s TYR 225 CO 0.11 -0.17 0.91 0.20 -1.57 0.00 0.00 175.55 175.04 2wpk s GLY 226 N -3.26 2.87 -0.13 0.71 0.00 -0.49 -4.56 107.32 102.46 2wpk s GLY 226 Ca 0.29 0.50 -0.03 0.00 0.00 0.00 0.00 44.72 45.48 2wpk s GLY 226 CO 0.08 0.97 -0.03 -0.42 0.00 0.00 0.00 173.10 173.71 2wpk s ILE 227 N -1.47 4.01 0.08 0.90 -1.09 0.25 -2.23 121.20 121.65 2wpk s ILE 227 Ca 0.46 -0.33 0.08 0.00 -2.23 0.00 0.00 60.65 58.64 2wpk s ILE 227 Cb -0.21 -2.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.91 2wpk s ILE 227 CO 0.26 0.53 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.96 2wpk s TYR 228 N -0.03 1.90 0.01 3.97 1.51 0.08 -2.32 117.35 122.47 2wpk s TYR 228 Ca 0.02 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.38 2wpk s TYR 228 Cb -0.13 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 2wpk s TYR 228 CO 0.02 0.18 1.16 0.99 -1.11 0.00 0.00 175.55 176.79 2wpk s THR 229 N -1.00 4.27 -0.77 -0.71 2.01 0.46 -1.31 115.64 118.59 2wpk s THR 229 Ca 0.08 1.62 -0.26 0.00 0.31 0.00 0.00 61.69 63.43 2wpk s THR 229 Cb -0.10 -4.04 0.03 0.00 0.01 0.00 0.00 72.50 68.40 2wpk s THR 229 CO 0.03 0.08 1.38 -0.75 -0.69 0.00 0.00 174.62 174.67 2wpk s LYS 230 N 1.44 3.18 0.51 4.92 2.20 -0.47 -1.66 119.74 129.86 2wpk s LYS 230 Ca 0.56 -0.29 0.21 0.00 -0.36 0.00 0.00 55.97 56.09 2wpk s LYS 230 Cb -0.26 -4.39 1.30 0.00 -1.51 0.00 0.00 37.83 32.96 2wpk s LYS 230 CO 0.26 -2.24 2.04 0.28 -0.36 0.00 0.00 175.35 175.33 2wpk h VAL 231 N 6.25 0.84 -0.90 4.02 2.07 -1.88 -2.61 116.25 124.04 2wpk h VAL 231 Ca -0.20 -0.02 0.19 0.00 0.82 0.00 0.00 66.70 67.48 2wpk h VAL 231 Cb 1.05 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 2wpk h VAL 231 CO 1.29 0.01 0.59 0.77 0.02 0.00 0.00 177.57 180.26 2wpk h SER 232 N 0.07 0.49 1.11 0.57 4.64 -1.88 0.29 113.55 118.84 2wpk h SER 232 Ca 0.19 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2wpk h SER 232 Cb 0.65 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2wpk h SER 232 CO -0.01 0.21 0.00 0.54 -0.87 0.00 0.00 176.83 176.69 2wpk n ARG 233 N -4.54 0.21 -0.01 4.77 5.12 -0.98 -3.77 116.66 117.45 2wpk n ARG 233 Ca 0.19 0.29 0.01 0.00 -1.93 0.00 0.00 57.85 56.41 2wpk n ARG 233 Cb 0.63 -1.80 0.02 0.00 -1.16 0.00 0.00 32.46 30.15 2wpk n ARG 233 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2wpk n TYR 234 N -2.18 0.03 -0.23 -1.55 4.01 0.92 -4.77 117.16 113.39 2wpk n TYR 234 Ca 0.04 -0.11 0.02 0.00 -0.16 0.00 0.00 57.90 57.69 2wpk n TYR 234 Cb 0.33 -0.01 0.25 0.00 -0.31 0.00 0.00 39.34 39.61 2wpk n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2wpk h VAL 235 N 0.55 1.16 -0.50 -0.72 2.07 -1.41 -0.70 116.25 116.69 2wpk h VAL 235 Ca 0.00 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.07 2wpk h VAL 235 Cb 0.21 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 2wpk h VAL 235 CO 0.00 0.18 -0.11 0.78 0.02 0.00 0.00 177.57 178.44 2wpk h ASN 236 N 1.00 0.96 -0.80 0.57 4.21 -1.86 -1.61 115.58 118.05 2wpk h ASN 236 Ca 0.30 -0.36 -0.04 0.00 1.21 0.00 0.00 56.30 57.41 2wpk h ASN 236 Cb -0.04 -0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 36.87 2wpk h ASN 236 CO -0.08 1.10 0.33 -0.25 -1.29 0.00 0.00 177.43 177.24 2wpk h TRP 237 N 0.81 1.22 -0.13 1.19 7.01 -1.73 -1.04 115.95 123.27 2wpk h TRP 237 Ca 0.13 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 2wpk h TRP 237 Cb 0.67 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 2wpk h TRP 237 CO 0.05 0.91 0.01 0.82 -2.79 0.00 0.00 178.44 177.44 2wpk h ILE 238 N 1.17 1.23 -0.55 2.65 2.04 -0.90 -2.13 117.51 121.02 2wpk h ILE 238 Ca 0.27 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 2wpk h ILE 238 Cb 0.20 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2wpk h ILE 238 CO -0.02 0.22 0.18 0.11 0.00 0.00 0.00 178.15 178.63 2wpk h LYS 239 N -0.01 0.85 -0.54 2.37 1.57 -1.22 -1.17 116.57 118.42 2wpk h LYS 239 Ca 0.04 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2wpk h LYS 239 Cb 0.32 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2wpk h LYS 239 CO 0.00 0.77 0.33 1.49 -0.57 0.00 0.00 179.45 181.48 2wpk h GLU 240 N 0.76 0.65 0.00 3.15 4.81 -1.12 -3.09 114.58 119.73 2wpk h GLU 240 Ca 0.18 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.22 2wpk h GLU 240 Cb 0.27 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2wpk h GLU 240 CO -0.01 0.43 -0.70 0.87 -0.73 0.00 0.00 179.01 178.87 2wpk h LYS 241 N 0.67 0.00 -0.63 1.92 1.79 -1.26 -3.34 116.57 115.72 2wpk h LYS 241 Ca 0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2wpk h LYS 241 Cb -0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2wpk h LYS 241 CO -0.08 0.69 0.00 0.25 -1.08 0.00 0.00 179.45 179.23 2wpk n THR 242 N -3.27 1.35 -1.66 -0.16 -2.24 -0.45 -4.99 114.28 102.85 2wpk n THR 242 Ca 0.01 -0.95 -0.48 0.00 -2.27 0.00 0.00 64.05 60.36 2wpk n THR 242 Cb 0.82 0.17 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 2wpk n THR 242 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wpk n LYS 243 N 1.05 1.95 -3.06 -0.78 5.02 -1.17 -4.93 118.16 116.23 2wpk n LYS 243 Ca 0.22 0.71 -0.38 0.00 -2.02 0.00 0.00 58.31 56.83 2wpk n LYS 243 Cb 0.71 -2.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.18 2wpk n LYS 243 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wpk s LEU 244 N 1.92 4.52 0.00 -0.35 1.43 -1.26 -5.15 118.68 119.79 2wpk s LEU 244 Ca 0.85 1.53 0.03 0.00 -1.03 0.00 0.00 54.13 55.50 2wpk s LEU 244 Cb -0.75 -3.31 0.02 0.00 0.03 0.00 0.00 46.19 42.18 2wpk s LEU 244 CO 0.45 0.17 0.59 1.07 0.23 0.00 0.00 176.35 178.86