#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bik s PHE 19 N 0.00 2.15 0.05 0.00 5.36 -1.26 -5.00 117.98 119.27 3bik s PHE 19 Ca 0.00 0.24 0.00 0.00 -0.96 0.00 0.00 56.93 56.22 3bik s PHE 19 Cb 0.00 -3.93 -0.03 0.00 -0.34 0.00 0.00 43.02 38.72 3bik s PHE 19 CO 0.00 -3.86 -0.05 0.95 -1.46 0.00 0.00 175.22 170.81 3bik s THR 20 N 3.46 0.34 0.05 0.12 -4.23 -1.26 -4.75 115.64 109.37 3bik s THR 20 Ca 0.74 -1.42 0.03 0.00 -1.18 0.00 0.00 61.69 59.86 3bik s THR 20 Cb -0.36 -0.99 -0.04 0.00 1.34 0.00 0.00 72.50 72.45 3bik s THR 20 CO 0.31 -0.70 0.04 -0.69 -0.54 0.00 0.00 174.62 173.04 3bik s VAL 21 N -2.62 4.36 0.05 2.29 1.01 -1.26 -4.43 120.40 119.80 3bik s VAL 21 Ca -0.02 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.32 3bik s VAL 21 Cb -0.02 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 3bik s VAL 21 CO -0.04 0.22 -0.24 -0.89 0.00 0.00 0.00 175.10 174.15 3bik s THR 22 N -1.27 1.92 -0.38 3.92 2.01 -0.37 -4.96 115.64 116.50 3bik s THR 22 Ca 0.25 -1.31 0.03 0.00 0.31 0.00 0.00 61.69 60.97 3bik s THR 22 Cb -0.12 -1.65 0.11 0.00 0.01 0.00 0.00 72.50 70.85 3bik s THR 22 CO 0.17 0.28 0.12 -0.69 -0.69 0.00 0.00 174.62 173.81 3bik s VAL 23 N -0.81 1.99 0.20 3.82 1.01 -1.26 -0.75 120.40 124.60 3bik s VAL 23 Ca 0.10 -2.40 0.09 0.00 0.00 0.00 0.00 61.98 59.77 3bik s VAL 23 Cb -0.09 -2.45 0.21 0.00 0.00 0.00 0.00 36.38 34.04 3bik s VAL 23 CO 0.02 -0.69 0.89 -2.65 0.00 0.00 0.00 175.10 172.67 3bik n PRO 24 N 4.05 -0.04 -3.69 2.72 -0.02 -1.26 -4.35 135.00 132.40 3bik n PRO 24 Ca 0.04 0.80 -0.11 0.00 -2.02 0.00 0.00 63.50 62.20 3bik n PRO 24 Cb 0.39 -1.38 -0.11 0.00 -0.02 0.00 0.00 33.50 32.38 3bik n PRO 24 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3bik s LYS 25 N -5.02 0.32 0.46 -0.52 -2.85 -1.26 -5.04 119.74 105.82 3bik s LYS 25 Ca -0.06 0.76 0.24 0.00 -1.00 0.00 0.00 55.97 55.91 3bik s LYS 25 Cb 0.18 -0.00 1.08 0.00 -2.06 0.00 0.00 37.83 37.04 3bik s LYS 25 CO 0.44 -0.18 1.91 -0.44 0.10 0.00 0.00 175.35 177.18 3bik h ASP 26 N 7.39 0.00 -3.28 0.03 3.32 -1.89 -3.45 116.42 118.54 3bik h ASP 26 Ca -0.33 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.29 3bik h ASP 26 Cb 1.16 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.34 3bik h ASP 26 CO 0.28 0.22 -0.77 -0.22 -1.72 0.00 0.00 179.24 177.03 3bik s LEU 27 N -7.15 0.69 -0.15 1.55 2.96 -1.26 -0.41 118.68 114.92 3bik s LEU 27 Ca -0.01 -0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 53.78 3bik s LEU 27 Cb 0.12 -0.44 -0.03 0.00 0.50 0.00 0.00 46.19 46.34 3bik s LEU 27 CO 0.63 -0.18 -0.04 -0.31 -1.32 0.00 0.00 176.35 175.13 3bik s TYR 28 N 1.82 3.01 -0.22 5.38 1.51 -0.12 -5.00 117.35 123.73 3bik s TYR 28 Ca 0.03 -0.28 -0.05 0.00 -1.01 0.00 0.00 57.07 55.76 3bik s TYR 28 Cb -0.12 -1.93 -0.02 0.00 -0.11 0.00 0.00 41.96 39.77 3bik s TYR 28 CO -0.05 -0.00 0.01 0.08 -1.11 0.00 0.00 175.55 174.48 3bik s VAL 29 N 0.23 3.93 -0.02 0.71 1.01 -1.26 -1.65 120.40 123.35 3bik s VAL 29 Ca -0.03 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.68 3bik s VAL 29 Cb -0.14 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 3bik s VAL 29 CO 0.03 0.40 -0.15 -0.69 0.00 0.00 0.00 175.10 174.69 3bik s VAL 30 N 1.28 1.20 0.29 2.92 1.01 -0.79 -5.01 120.40 121.31 3bik s VAL 30 Ca 0.04 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.10 3bik s VAL 30 Cb -0.15 -1.01 -0.09 0.00 0.00 0.00 0.00 36.38 35.13 3bik s VAL 30 CO 0.01 0.34 1.01 -1.61 0.00 0.00 0.00 175.10 174.86 3bik s GLU 31 N -0.27 4.63 0.07 2.72 0.41 -1.26 -0.70 118.70 124.30 3bik s GLU 31 Ca 0.04 1.57 -0.34 0.00 -0.41 0.00 0.00 54.97 55.84 3bik s GLU 31 Cb -0.07 -3.05 -0.13 0.00 -1.78 0.00 0.00 34.13 29.10 3bik s GLU 31 CO -0.00 0.27 1.72 0.98 -0.49 0.00 0.00 175.26 177.74 3bik n TYR 32 N 0.99 2.34 -0.43 1.61 9.36 -0.09 -2.38 117.16 128.55 3bik n TYR 32 Ca 0.00 0.11 0.00 0.00 3.32 0.00 0.00 57.90 61.33 3bik n TYR 32 Cb 0.47 -2.61 0.00 0.00 -0.63 0.00 0.00 39.34 36.57 3bik n TYR 32 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3bik n GLY 33 N 3.88 0.75 3.99 2.98 0.00 0.05 -4.98 105.19 111.87 3bik n GLY 33 Ca 0.19 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 3bik n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bik s SER 34 N -2.24 5.72 0.21 1.61 0.01 -1.00 -4.65 113.70 113.35 3bik s SER 34 Ca 0.00 -0.22 -0.12 0.00 1.31 0.00 0.00 55.95 56.92 3bik s SER 34 Cb 0.00 -0.96 -0.07 0.00 0.21 0.00 0.00 66.02 65.20 3bik s SER 34 CO 0.00 -0.71 0.57 0.20 0.41 0.00 0.00 173.24 173.71 3bik s ASN 35 N -4.29 6.71 -0.03 2.44 0.01 -1.26 -0.83 114.94 117.69 3bik s ASN 35 Ca 0.52 1.02 0.00 0.00 -0.71 0.00 0.00 52.86 53.69 3bik s ASN 35 Cb -0.10 -2.26 0.03 0.00 0.41 0.00 0.00 41.25 39.32 3bik s ASN 35 CO 0.34 -0.03 0.00 -0.32 -1.51 0.00 0.00 177.10 175.58 3bik s MET 36 N -2.55 0.26 -0.25 -0.60 -2.45 -0.63 -4.99 119.30 108.10 3bik s MET 36 Ca 0.45 0.08 0.02 0.00 -1.25 0.00 0.00 55.69 54.99 3bik s MET 36 Cb -0.12 -0.44 0.06 0.00 1.25 0.00 0.00 34.83 35.57 3bik s MET 36 CO 0.20 -0.13 -0.08 0.99 1.05 0.00 0.00 175.02 177.05 3bik s THR 37 N 0.98 1.85 -0.10 10.11 2.01 -1.26 -1.42 115.64 127.81 3bik s THR 37 Ca -0.10 -1.43 -0.03 0.00 0.31 0.00 0.00 61.69 60.44 3bik s THR 37 Cb -0.13 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 3bik s THR 37 CO -0.02 -0.06 0.03 0.27 -0.69 0.00 0.00 174.62 174.14 3bik s ILE 38 N 1.25 4.52 -0.01 1.82 -4.36 -0.35 -4.94 121.20 119.13 3bik s ILE 38 Ca -0.07 -0.16 0.06 0.00 -0.26 0.00 0.00 60.65 60.22 3bik s ILE 38 Cb -0.19 -2.92 -0.02 0.00 1.25 0.00 0.00 42.46 40.57 3bik s ILE 38 CO -0.06 0.59 -0.20 -1.61 0.24 0.00 0.00 174.94 173.91 3bik s GLU 39 N -0.78 1.60 -0.10 0.37 2.02 -1.26 -0.88 118.70 119.68 3bik s GLU 39 Ca 0.12 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.38 3bik s GLU 39 Cb -0.12 -1.57 0.02 0.00 0.10 0.00 0.00 34.13 32.56 3bik s GLU 39 CO 0.02 0.43 -0.12 0.00 0.02 0.00 0.00 175.26 175.61 3bik s LYS 41 N 1.08 3.58 0.02 0.00 -0.14 0.07 0.43 119.74 124.79 3bik s LYS 41 Ca -0.06 -0.10 -0.03 0.00 -1.36 0.00 0.00 55.97 54.42 3bik s LYS 41 Cb -0.15 -3.04 -0.02 0.00 -1.68 0.00 0.00 37.83 32.95 3bik s LYS 41 CO -0.02 0.62 0.03 -0.59 -0.76 0.00 0.00 175.35 174.63 3bik s PHE 42 N -1.37 0.24 0.18 3.18 -0.12 0.21 -1.24 117.98 119.05 3bik s PHE 42 Ca 0.30 -0.51 -0.30 0.00 -0.05 0.00 0.00 56.93 56.37 3bik s PHE 42 Cb -0.13 -0.18 -0.08 0.00 -0.63 0.00 0.00 43.02 42.00 3bik s PHE 42 CO 0.18 -0.27 1.30 -2.14 -0.05 0.00 0.00 175.22 174.25 3bik s PRO 43 N -1.99 4.39 -0.02 1.99 0.02 -1.26 -4.31 135.00 133.82 3bik s PRO 43 Ca -0.11 2.02 0.00 0.00 0.02 0.00 0.00 61.00 62.94 3bik s PRO 43 Cb -0.05 -3.21 0.03 0.00 0.02 0.00 0.00 34.50 31.28 3bik s PRO 43 CO -0.02 -0.26 0.02 0.08 -0.33 0.00 0.00 177.00 176.49 3bik s VAL 44 N 0.29 -0.01 0.51 3.83 1.01 -1.26 -4.98 120.40 119.79 3bik s VAL 44 Ca 0.57 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.73 3bik s VAL 44 Cb -0.36 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 35.94 3bik s VAL 44 CO 0.36 0.09 0.74 -1.83 0.00 0.00 0.00 175.10 174.46 3bik s GLU 45 N 0.95 2.75 0.00 2.72 -1.05 -1.26 -4.95 118.70 117.85 3bik s GLU 45 Ca -0.08 -0.65 0.00 0.00 -0.15 0.00 0.00 54.97 54.08 3bik s GLU 45 Cb -0.12 -2.51 0.00 0.00 -0.44 0.00 0.00 34.13 31.06 3bik s GLU 45 CO -0.02 -0.54 0.00 1.17 0.95 0.00 0.00 175.26 176.81 3bik n LYS 46 N -2.25 0.00 -4.60 -4.83 4.81 -1.26 -4.18 118.16 105.85 3bik n LYS 46 Ca 0.05 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.16 3bik n LYS 46 Cb 0.59 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.53 3bik n LYS 46 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 3bik s GLN 47 N -0.98 2.61 -0.08 1.64 0.00 -1.26 -5.10 119.66 116.49 3bik s GLN 47 Ca 0.00 -0.65 -0.24 0.00 -0.00 0.00 0.00 55.36 54.46 3bik s GLN 47 Cb 0.00 -2.51 -0.03 0.00 0.00 0.00 0.00 33.01 30.47 3bik s GLN 47 CO 0.00 0.63 0.74 -1.17 0.00 0.00 0.00 175.29 175.49 3bik s LEU 48 N -1.06 4.29 -0.65 2.60 2.96 -1.26 -5.02 118.68 120.54 3bik s LEU 48 Ca 0.14 1.21 -0.21 0.00 -0.22 0.00 0.00 54.13 55.05 3bik s LEU 48 Cb -0.11 -3.14 0.09 0.00 0.50 0.00 0.00 46.19 43.53 3bik s LEU 48 CO 0.04 -0.18 0.88 -0.62 -1.32 0.00 0.00 176.35 175.14 3bik s ASP 49 N 0.90 6.21 0.32 3.68 2.15 -1.26 -4.92 116.67 123.74 3bik s ASP 49 Ca 0.38 -1.24 0.12 0.00 0.43 0.00 0.00 52.55 52.24 3bik s ASP 49 Cb -0.18 -2.37 0.51 0.00 -0.30 0.00 0.00 42.92 40.59 3bik s ASP 49 CO 0.18 -1.29 1.70 -0.07 -0.17 0.00 0.00 175.17 175.52 3bik h LEU 50 N 10.75 0.00 0.00 -1.34 3.38 -1.95 -2.94 115.31 123.21 3bik h LEU 50 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3bik h LEU 50 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3bik h LEU 50 CO 1.14 0.51 0.00 0.00 0.09 0.00 0.00 178.44 180.19 3bik n ALA 51 N -2.43 1.98 -0.01 1.53 0.00 -1.26 -3.06 120.51 117.26 3bik n ALA 51 Ca -0.01 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.35 3bik n ALA 51 Cb 0.53 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 3bik n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bik n ALA 52 N -1.23 2.08 -2.47 0.00 0.00 -1.13 -4.81 120.51 112.95 3bik n ALA 52 Ca 0.09 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 3bik n ALA 52 Cb 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.49 3bik n ALA 52 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3bik s LEU 53 N -3.58 4.43 -0.08 0.00 2.96 -1.12 -4.42 118.68 116.86 3bik s LEU 53 Ca -0.02 1.77 0.00 0.00 -0.22 0.00 0.00 54.13 55.67 3bik s LEU 53 Cb 0.02 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.15 3bik s LEU 53 CO 0.16 -0.20 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.28 3bik s ILE 54 N 0.55 0.90 -0.06 6.68 1.01 -0.20 -4.06 121.20 126.03 3bik s ILE 54 Ca 0.51 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.93 3bik s ILE 54 Cb -0.23 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 3bik s ILE 54 CO 0.29 0.33 -0.18 -0.69 0.00 0.00 0.00 174.94 174.69 3bik s VAL 55 N 1.34 2.72 -0.12 2.92 1.01 -0.43 -1.39 120.40 126.46 3bik s VAL 55 Ca -0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 3bik s VAL 55 Cb -0.14 -2.05 0.06 0.00 0.00 0.00 0.00 36.38 34.25 3bik s VAL 55 CO -0.03 0.58 0.16 -0.47 0.00 0.00 0.00 175.10 175.33 3bik s TYR 56 N -0.45 -0.14 -0.02 5.22 5.04 -0.22 -0.10 117.35 126.69 3bik s TYR 56 Ca 0.05 0.41 0.03 0.00 -2.44 0.00 0.00 57.07 55.12 3bik s TYR 56 Cb -0.12 -0.34 -0.03 0.00 0.35 0.00 0.00 41.96 41.82 3bik s TYR 56 CO 0.02 -0.36 -0.08 -1.58 -1.34 0.00 0.00 175.55 172.21 3bik s TRP 57 N 2.28 2.87 0.06 4.97 0.52 -0.48 -0.20 118.94 128.96 3bik s TRP 57 Ca 0.04 -0.04 -0.16 0.00 0.02 0.00 0.00 56.10 55.96 3bik s TRP 57 Cb -0.13 -1.63 0.03 0.00 -1.15 0.00 0.00 33.47 30.59 3bik s TRP 57 CO -0.07 0.34 0.36 -2.00 0.02 0.00 0.00 176.95 175.60 3bik s GLU 58 N -1.21 0.90 -0.14 4.98 -6.30 -0.23 -1.47 118.70 115.23 3bik s GLU 58 Ca 0.15 -0.50 -0.07 0.00 -2.50 0.00 0.00 54.97 52.06 3bik s GLU 58 Cb -0.11 0.39 0.06 0.00 0.00 0.00 0.00 34.13 34.47 3bik s GLU 58 CO 0.05 -0.31 0.33 1.41 0.02 0.00 0.00 175.26 176.76 3bik s MET 59 N -2.78 0.28 -1.56 4.30 1.75 -0.69 -1.13 119.30 119.48 3bik s MET 59 Ca -0.03 0.71 -0.15 0.00 -1.25 0.00 0.00 55.69 54.96 3bik s MET 59 Cb -0.00 -0.03 0.12 0.00 2.84 0.00 0.00 34.83 37.76 3bik s MET 59 CO -0.05 -0.19 0.79 0.39 -0.65 0.00 0.00 175.02 175.31 3bik n GLU 60 N 4.52 -3.98 -0.51 4.11 1.02 -1.25 0.15 120.64 124.69 3bik n GLU 60 Ca -0.20 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 3bik n GLU 60 Cb 0.53 -5.25 0.00 0.00 -0.02 0.00 0.00 31.44 26.70 3bik n GLU 60 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3bik n ASP 61 N -2.62 0.00 -4.71 1.62 8.00 -1.26 -4.98 116.55 112.60 3bik n ASP 61 Ca 0.05 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.13 3bik n ASP 61 Cb 0.51 -1.03 -0.03 0.00 -0.02 0.00 0.00 41.12 40.55 3bik n ASP 61 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3bik s LYS 62 N -0.32 4.42 -0.34 -1.24 1.02 0.12 -5.00 119.74 118.40 3bik s LYS 62 Ca 0.00 1.76 -0.20 0.00 0.02 0.00 0.00 55.97 57.55 3bik s LYS 62 Cb 0.00 -3.37 -0.00 0.00 -0.52 0.00 0.00 37.83 33.94 3bik s LYS 62 CO 0.00 -0.28 0.63 1.21 -0.92 0.00 0.00 175.35 175.99 3bik s ASN 63 N 1.12 6.44 -0.23 2.83 3.84 -1.26 -1.70 114.94 125.97 3bik s ASN 63 Ca 0.59 0.21 -0.17 0.00 0.21 0.00 0.00 52.86 53.70 3bik s ASN 63 Cb -0.29 -2.32 -0.14 0.00 -0.55 0.00 0.00 41.25 37.95 3bik s ASN 63 CO 0.28 -0.56 -0.12 -0.38 -2.79 0.00 0.00 177.10 173.54 3bik n ILE 64 N 5.53 1.52 -4.25 -5.21 5.41 -0.54 -1.15 119.36 120.67 3bik n ILE 64 Ca -0.01 -0.15 -0.19 0.00 1.00 0.00 0.00 62.75 63.39 3bik n ILE 64 Cb 0.49 -2.03 -0.16 0.00 -0.71 0.00 0.00 39.64 37.23 3bik n ILE 64 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3bik s ILE 65 N -2.46 0.60 -0.30 1.39 -1.09 -0.96 -4.78 121.20 113.60 3bik s ILE 65 Ca -0.32 -0.22 -0.02 0.00 -2.23 0.00 0.00 60.65 57.86 3bik s ILE 65 Cb 0.09 -0.57 0.10 0.00 -1.58 0.00 0.00 42.46 40.50 3bik s ILE 65 CO 0.50 0.21 0.11 -1.58 -1.23 0.00 0.00 174.94 172.96 3bik s GLN 66 N 0.50 0.51 -0.29 2.79 0.74 -1.26 -1.39 119.66 121.26 3bik s GLN 66 Ca -0.07 -0.86 -0.08 0.00 0.05 0.00 0.00 55.36 54.40 3bik s GLN 66 Cb -0.11 -1.67 -0.00 0.00 1.10 0.00 0.00 33.01 32.34 3bik s GLN 66 CO 0.00 -1.00 0.10 0.12 -0.55 0.00 0.00 175.29 173.96 3bik s PHE 67 N 1.80 3.14 -0.05 1.67 5.36 0.86 -1.03 117.98 129.73 3bik s PHE 67 Ca 0.09 -0.76 -0.04 0.00 -0.96 0.00 0.00 56.93 55.26 3bik s PHE 67 Cb -0.17 -2.28 0.02 0.00 -0.34 0.00 0.00 43.02 40.25 3bik s PHE 67 CO -0.30 -0.50 0.13 0.08 -1.46 0.00 0.00 175.22 173.16 3bik s VAL 68 N 1.55 -0.01 -1.49 3.12 1.01 -0.40 -1.31 120.40 122.87 3bik s VAL 68 Ca 0.04 0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 3bik s VAL 68 Cb -0.17 -0.19 0.07 0.00 0.00 0.00 0.00 36.38 36.09 3bik s VAL 68 CO 0.04 0.01 0.96 1.41 0.00 0.00 0.00 175.10 177.51 3bik n HIS 69 N 3.19 -2.35 -0.86 5.22 8.25 -1.25 -1.92 115.22 125.50 3bik n HIS 69 Ca -0.14 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.18 3bik n HIS 69 Cb 0.58 -4.12 0.00 0.00 1.12 0.00 0.00 29.99 27.57 3bik n HIS 69 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bik n GLY 70 N -1.70 0.93 3.09 -1.41 0.00 -1.25 -4.93 105.19 99.92 3bik n GLY 70 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 3bik n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bik s GLU 71 N -0.14 0.60 0.00 1.61 2.02 -0.81 -5.13 118.70 116.85 3bik s GLU 71 Ca 0.00 -0.83 -0.30 0.00 0.02 0.00 0.00 54.97 53.86 3bik s GLU 71 Cb 0.00 -0.37 -0.03 0.00 0.10 0.00 0.00 34.13 33.83 3bik s GLU 71 CO 0.00 0.06 1.00 -2.00 0.02 0.00 0.00 175.26 174.34 3bik s GLU 72 N -1.78 4.55 -0.97 1.61 2.56 -1.26 -1.28 118.70 122.13 3bik s GLU 72 Ca -0.07 1.45 -0.17 0.00 0.00 0.00 0.00 54.97 56.17 3bik s GLU 72 Cb -0.09 -3.45 0.15 0.00 2.00 0.00 0.00 34.13 32.74 3bik s GLU 72 CO 0.00 -0.07 1.14 0.34 -0.56 0.00 0.00 175.26 176.12 3bik s ASP 73 N 1.02 6.72 0.56 -1.70 -1.08 -0.20 -4.86 116.67 117.12 3bik s ASP 73 Ca 0.53 -2.26 0.27 0.00 -0.52 0.00 0.00 52.55 50.57 3bik s ASP 73 Cb -0.22 -2.38 1.63 0.00 -1.46 0.00 0.00 42.92 40.49 3bik s ASP 73 CO 0.28 -0.96 2.18 -0.07 0.52 0.00 0.00 175.17 177.12 3bik h LEU 74 N 10.04 0.00 -1.18 -1.34 -0.00 -1.94 -2.67 115.31 118.22 3bik h LEU 74 Ca 0.18 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 58.13 3bik h LEU 74 Cb 1.00 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.60 3bik h LEU 74 CO 1.10 0.05 0.58 0.11 -0.00 0.00 0.00 178.44 180.27 3bik h LYS 75 N 0.00 0.93 0.00 1.13 1.79 -1.99 -2.67 116.57 115.76 3bik h LYS 75 Ca -0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3bik h LYS 75 Cb 0.12 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 3bik h LYS 75 CO 0.01 0.62 -0.92 0.28 -1.08 0.00 0.00 179.45 178.35 3bik n VAL 76 N -4.50 0.48 -1.78 0.50 0.31 -1.01 -4.96 118.33 107.36 3bik n VAL 76 Ca 0.14 -0.43 -0.39 0.00 -0.01 0.00 0.00 64.34 63.65 3bik n VAL 76 Cb 0.24 -0.21 0.04 0.00 -0.91 0.00 0.00 33.84 33.00 3bik n VAL 76 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3bik s GLN 77 N -3.29 3.21 -0.20 5.55 0.74 -1.01 -4.80 119.66 119.87 3bik s GLN 77 Ca 0.02 2.27 -0.29 0.00 0.05 0.00 0.00 55.36 57.40 3bik s GLN 77 Cb 0.11 -2.31 -0.00 0.00 1.10 0.00 0.00 33.01 31.91 3bik s GLN 77 CO 0.77 -1.14 1.14 -1.58 -0.55 0.00 0.00 175.29 173.93 3bik s HIS 78 N -1.29 3.13 0.14 1.67 5.65 -0.30 -4.96 115.29 119.34 3bik s HIS 78 Ca 0.70 1.27 -0.21 0.00 0.25 0.00 0.00 55.06 57.07 3bik s HIS 78 Cb -0.41 -3.37 0.02 0.00 -1.18 0.00 0.00 32.58 27.64 3bik s HIS 78 CO 0.49 -1.02 1.23 -1.13 -0.65 0.00 0.00 174.74 173.66 3bik n SER 79 N 6.39 -0.74 -0.81 9.88 3.41 -1.26 -1.70 113.62 128.79 3bik n SER 79 Ca 0.13 1.40 0.00 0.00 -0.26 0.00 0.00 58.87 60.14 3bik n SER 79 Cb 0.46 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3bik n SER 79 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3bik n SER 80 N -5.05 0.29 0.00 4.04 3.41 -1.26 -0.47 113.62 114.58 3bik n SER 80 Ca 0.04 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 3bik n SER 80 Cb 0.24 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3bik n SER 80 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3bik n TYR 81 N 0.74 0.00 -0.41 7.33 4.02 -0.69 -4.93 117.16 123.24 3bik n TYR 81 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 3bik n TYR 81 Cb 0.05 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.29 3bik n TYR 81 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3bik n ARG 82 N -0.29 -0.40 0.00 -0.72 1.74 0.38 -2.00 116.66 115.38 3bik n ARG 82 Ca 0.00 1.48 0.11 0.00 -0.77 0.00 0.00 57.85 58.67 3bik n ARG 82 Cb 0.02 -2.17 0.03 0.00 -1.02 0.00 0.00 32.46 29.33 3bik n ARG 82 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3bik n GLN 83 N -5.25 0.98 -0.00 5.56 6.02 -1.26 -4.53 117.38 118.89 3bik n GLN 83 Ca 0.03 -0.78 0.04 0.00 -0.01 0.00 0.00 57.00 56.28 3bik n GLN 83 Cb 0.27 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 29.98 3bik n GLN 83 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 3bik n ARG 84 N -0.33 0.29 -4.95 -1.09 1.85 -0.98 -4.98 116.66 106.47 3bik n ARG 84 Ca 0.09 -0.08 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 3bik n ARG 84 Cb 0.43 -1.21 -0.14 0.00 -1.05 0.00 0.00 32.46 30.49 3bik n ARG 84 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3bik s ALA 85 N -2.62 2.57 -0.18 2.89 0.00 -0.85 -1.33 121.76 122.25 3bik s ALA 85 Ca -0.03 -0.99 -0.20 0.00 0.00 0.00 0.00 51.96 50.74 3bik s ALA 85 Cb 0.06 -0.92 0.05 0.00 0.00 0.00 0.00 23.12 22.31 3bik s ALA 85 CO 0.37 0.52 0.54 -0.98 0.00 0.00 0.00 175.76 176.21 3bik s ARG 86 N -0.58 0.67 0.12 0.00 1.70 -0.59 -4.88 118.95 115.39 3bik s ARG 86 Ca 0.08 0.64 -0.26 0.00 -0.47 0.00 0.00 55.73 55.72 3bik s ARG 86 Cb -0.11 0.32 -0.07 0.00 -0.57 0.00 0.00 34.95 34.52 3bik s ARG 86 CO 0.01 -0.11 0.81 -1.17 -1.08 0.00 0.00 175.30 173.76 3bik s LEU 87 N 0.04 4.53 -1.10 -1.89 2.96 -1.26 -1.45 118.68 120.51 3bik s LEU 87 Ca -0.02 1.61 -0.18 0.00 -0.22 0.00 0.00 54.13 55.32 3bik s LEU 87 Cb -0.04 -3.33 0.11 0.00 0.50 0.00 0.00 46.19 43.44 3bik s LEU 87 CO 0.02 0.10 1.40 -0.76 -1.32 0.00 0.00 176.35 175.79 3bik s LEU 88 N -0.59 4.48 0.24 -0.68 1.02 -0.70 -4.89 118.68 117.56 3bik s LEU 88 Ca 0.39 -2.26 0.04 0.00 0.02 0.00 0.00 54.13 52.31 3bik s LEU 88 Cb -0.22 -2.47 0.64 0.00 0.02 0.00 0.00 46.19 44.15 3bik s LEU 88 CO 0.26 -1.09 1.16 0.29 0.02 0.00 0.00 176.35 176.98 3bik n LYS 89 N 7.16 -0.06 0.23 1.70 5.02 -1.26 -0.55 118.16 130.40 3bik n LYS 89 Ca 0.34 1.09 0.09 0.00 -2.02 0.00 0.00 58.31 57.81 3bik n LYS 89 Cb 0.47 -1.77 0.54 0.00 -0.02 0.00 0.00 35.03 34.26 3bik n LYS 89 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 3bik h ASP 90 N 0.00 0.00 1.49 4.39 3.04 -1.96 -2.52 116.42 120.87 3bik h ASP 90 Ca 0.48 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 54.21 3bik h ASP 90 Cb 1.04 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.33 3bik h ASP 90 CO -0.67 0.23 -0.25 1.56 -2.04 0.00 0.00 179.24 178.06 3bik h GLN 91 N 0.00 0.00 -0.52 4.15 1.08 -1.08 -3.33 115.11 115.41 3bik h GLN 91 Ca -0.00 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.28 3bik h GLN 91 Cb 0.56 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.96 3bik h GLN 91 CO 0.03 0.25 0.35 -0.07 -0.95 0.00 0.00 178.83 178.44 3bik h LEU 92 N 0.00 0.31 -1.97 1.46 4.07 -1.32 -1.50 115.31 116.36 3bik h LEU 92 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 3bik h LEU 92 Cb 1.07 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.74 3bik h LEU 92 CO 0.03 0.19 -0.10 0.28 -1.08 0.00 0.00 178.44 177.76 3bik h SER 93 N 0.34 0.00 -0.65 -0.43 0.02 -1.74 -1.42 113.55 109.67 3bik h SER 93 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3bik h SER 93 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3bik h SER 93 CO -0.06 0.10 0.00 0.18 -1.14 0.00 0.00 176.83 175.91 3bik n LEU 94 N -3.58 4.17 -0.86 5.07 4.77 -0.60 -4.87 117.00 121.10 3bik n LEU 94 Ca -0.02 -2.10 -0.09 0.00 -0.03 0.00 0.00 56.01 53.78 3bik n LEU 94 Cb 0.23 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 3bik n LEU 94 CO 0.29 0.84 -0.10 0.61 -1.33 0.00 0.00 177.39 177.70 3bik n GLY 95 N 1.34 0.41 3.22 -0.72 0.00 -0.53 -4.88 105.19 104.02 3bik n GLY 95 Ca 0.24 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 3bik n GLY 95 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bik s ASN 96 N -2.72 4.46 -0.59 1.61 2.47 -0.99 0.67 114.94 119.84 3bik s ASN 96 Ca 0.00 -0.89 -0.20 0.00 0.42 0.00 0.00 52.86 52.20 3bik s ASN 96 Cb 0.00 -1.69 0.09 0.00 -1.45 0.00 0.00 41.25 38.20 3bik s ASN 96 CO 0.00 -0.15 0.74 0.00 -3.72 0.00 0.00 177.10 173.97 3bik s ALA 97 N 1.34 3.36 -0.34 1.71 0.00 0.17 -2.92 121.76 125.08 3bik s ALA 97 Ca -0.00 -2.11 -0.07 0.00 0.00 0.00 0.00 51.96 49.79 3bik s ALA 97 Cb -0.17 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.43 3bik s ALA 97 CO -0.03 -2.37 0.11 0.00 0.00 0.00 0.00 175.76 173.47 3bik s ALA 98 N 2.90 3.06 -0.25 0.00 0.00 -1.26 -1.10 121.76 125.11 3bik s ALA 98 Ca 0.14 -1.74 -0.18 0.00 0.00 0.00 0.00 51.96 50.18 3bik s ALA 98 Cb -0.22 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 3bik s ALA 98 CO 0.08 -1.34 0.53 -1.17 0.00 0.00 0.00 175.76 173.86 3bik s LEU 99 N 1.42 4.07 -0.17 0.00 2.96 -0.06 -1.73 118.68 125.16 3bik s LEU 99 Ca -0.01 0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 54.43 3bik s LEU 99 Cb -0.19 -2.69 -0.02 0.00 0.50 0.00 0.00 46.19 43.79 3bik s LEU 99 CO 0.03 -0.28 -0.06 -1.58 -1.32 0.00 0.00 176.35 173.14 3bik s GLN 100 N 2.24 3.52 -0.15 1.98 0.74 -0.53 -1.22 119.66 126.24 3bik s GLN 100 Ca 0.22 -0.59 0.00 0.00 0.05 0.00 0.00 55.36 55.05 3bik s GLN 100 Cb -0.16 -2.89 -0.00 0.00 1.10 0.00 0.00 33.01 31.06 3bik s GLN 100 CO 0.09 0.09 -0.15 0.42 -0.55 0.00 0.00 175.29 175.19 3bik s ILE 101 N 0.73 2.71 0.11 -2.34 -1.09 -0.50 -1.54 121.20 119.27 3bik s ILE 101 Ca -0.03 -0.76 -0.03 0.00 -2.23 0.00 0.00 60.65 57.60 3bik s ILE 101 Cb -0.15 -2.14 -0.05 0.00 -1.58 0.00 0.00 42.46 38.54 3bik s ILE 101 CO 0.02 0.52 0.31 0.42 -1.23 0.00 0.00 174.94 174.98 3bik s THR 102 N 0.72 5.25 -1.00 2.92 -4.23 -0.44 -1.60 115.64 117.26 3bik s THR 102 Ca -0.07 -0.10 -0.13 0.00 -1.18 0.00 0.00 61.69 60.21 3bik s THR 102 Cb -0.16 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.06 3bik s THR 102 CO 0.01 0.09 0.74 -0.67 -0.54 0.00 0.00 174.62 174.25 3bik n ASP 103 N 0.21 -5.72 -4.70 3.99 2.03 -0.94 -4.88 116.55 106.54 3bik n ASP 103 Ca -0.04 -0.83 -0.42 0.00 0.52 0.00 0.00 54.79 54.02 3bik n ASP 103 Cb 0.52 -3.41 -0.03 0.00 -0.72 0.00 0.00 41.12 37.48 3bik n ASP 103 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3bik s VAL 104 N -3.28 2.70 0.37 5.18 1.01 -0.01 -4.72 120.40 121.65 3bik s VAL 104 Ca 0.29 0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.70 3bik s VAL 104 Cb -0.10 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 3bik s VAL 104 CO 0.85 0.01 0.10 -0.54 0.00 0.00 0.00 175.10 175.52 3bik s LYS 105 N 2.03 2.19 0.61 2.72 -0.14 -1.26 -0.77 119.74 125.11 3bik s LYS 105 Ca 0.74 -1.77 0.31 0.00 -1.36 0.00 0.00 55.97 53.89 3bik s LYS 105 Cb -0.43 -1.98 1.72 0.00 -1.68 0.00 0.00 37.83 35.46 3bik s LYS 105 CO 0.33 0.02 2.08 -0.07 -0.76 0.00 0.00 175.35 176.95 3bik h LEU 106 N 1.60 0.00 -1.65 3.17 4.07 -1.93 0.25 115.31 120.82 3bik h LEU 106 Ca -0.43 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.49 3bik h LEU 106 Cb 1.25 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 3bik h LEU 106 CO 0.68 0.00 -0.18 1.56 -1.08 0.00 0.00 178.44 179.42 3bik h GLN 107 N 0.00 0.00 -0.00 1.13 7.50 -2.00 -3.15 115.11 118.58 3bik h GLN 107 Ca 0.08 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.23 3bik h GLN 107 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.07 3bik h GLN 107 CO -0.00 0.18 0.00 -0.25 -1.50 0.00 0.00 178.83 177.26 3bik n ASP 108 N -3.68 0.05 -4.78 1.46 8.00 0.88 -4.83 116.55 113.65 3bik n ASP 108 Ca -0.01 -1.04 -0.39 0.00 0.71 0.00 0.00 54.79 54.06 3bik n ASP 108 Cb 0.30 -0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 3bik n ASP 108 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bik s ALA 109 N -2.00 3.42 0.00 2.24 0.00 -1.19 -4.84 121.76 119.38 3bik s ALA 109 Ca 0.47 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3bik s ALA 109 Cb 0.21 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.36 3bik s ALA 109 CO 0.36 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.81 3bik n GLY 110 N 1.35 0.41 3.64 0.00 0.00 -0.59 -4.98 105.19 105.02 3bik n GLY 110 Ca -0.04 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 3bik n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bik s VAL 111 N -2.59 5.33 0.08 1.61 1.01 -1.26 -1.55 120.40 123.03 3bik s VAL 111 Ca 0.00 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3bik s VAL 111 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3bik s VAL 111 CO 0.00 0.31 0.16 -0.31 0.00 0.00 0.00 175.10 175.25 3bik s TYR 112 N 1.30 3.36 -0.04 5.22 1.51 0.13 -3.97 117.35 124.86 3bik s TYR 112 Ca 0.09 0.16 0.03 0.00 -1.01 0.00 0.00 57.07 56.33 3bik s TYR 112 Cb -0.14 -1.68 0.00 0.00 -0.11 0.00 0.00 41.96 40.03 3bik s TYR 112 CO 0.07 0.55 -0.12 1.03 -1.11 0.00 0.00 175.55 175.97 3bik s ARG 113 N -2.53 1.31 -0.16 -0.62 0.52 -0.28 0.08 118.95 117.26 3bik s ARG 113 Ca 0.32 -0.41 -0.02 0.00 -0.52 0.00 0.00 55.73 55.11 3bik s ARG 113 Cb -0.12 -1.17 -0.01 0.00 0.52 0.00 0.00 34.95 34.17 3bik s ARG 113 CO 0.25 0.13 -0.10 0.00 0.02 0.00 0.00 175.30 175.61 3bik s MET 115 N 0.77 3.55 -0.06 0.00 1.75 0.72 -1.86 119.30 124.17 3bik s MET 115 Ca -0.04 -0.58 0.05 0.00 -1.25 0.00 0.00 55.69 53.87 3bik s MET 115 Cb -0.15 -2.84 -0.01 0.00 2.84 0.00 0.00 34.83 34.67 3bik s MET 115 CO 0.01 0.19 -0.24 0.42 -0.65 0.00 0.00 175.02 174.75 3bik s ILE 116 N 0.48 1.97 -0.16 10.11 1.01 -0.43 -1.05 121.20 133.13 3bik s ILE 116 Ca -0.05 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.59 3bik s ILE 116 Cb -0.15 -1.68 0.03 0.00 0.01 0.00 0.00 42.46 40.67 3bik s ILE 116 CO 0.03 0.55 -0.13 -0.55 0.00 0.00 0.00 174.94 174.84 3bik s SER 117 N -0.03 2.86 -0.46 3.58 0.15 -0.48 -1.48 113.70 117.84 3bik s SER 117 Ca -0.07 -0.59 0.07 0.00 0.70 0.00 0.00 55.95 56.07 3bik s SER 117 Cb -0.14 -1.18 0.18 0.00 -1.71 0.00 0.00 66.02 63.17 3bik s SER 117 CO 0.05 -0.08 0.67 -0.47 1.20 0.00 0.00 173.24 174.60 3bik s TYR 118 N 1.47 -1.65 0.00 3.44 5.04 -1.26 -1.03 117.35 123.36 3bik s TYR 118 Ca 0.03 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.53 3bik s TYR 118 Cb -0.14 0.30 0.00 0.00 0.35 0.00 0.00 41.96 42.47 3bik s TYR 118 CO -0.10 -1.22 0.00 0.41 -1.34 0.00 0.00 175.55 173.30 3bik n GLY 119 N 3.78 1.59 0.74 8.97 0.00 -1.26 -4.85 105.19 114.15 3bik n GLY 119 Ca 0.14 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 3bik n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bik n GLY 120 N 0.00 -3.21 3.00 -0.02 0.00 -1.26 -5.09 105.19 98.61 3bik n GLY 120 Ca 0.00 -1.34 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 3bik n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bik s ALA 121 N -2.46 0.13 0.18 4.61 0.00 -1.26 -4.37 121.76 118.59 3bik s ALA 121 Ca 0.15 -0.63 -0.18 0.00 0.00 0.00 0.00 51.96 51.30 3bik s ALA 121 Cb -0.02 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.30 3bik s ALA 121 CO 0.12 -0.19 0.51 0.34 0.00 0.00 0.00 175.76 176.54 3bik s ASP 122 N -1.63 -0.29 0.01 0.00 3.68 -0.55 -4.91 116.67 112.98 3bik s ASP 122 Ca -0.13 -0.39 -0.05 0.00 2.13 0.00 0.00 52.55 54.11 3bik s ASP 122 Cb -0.08 0.56 -0.00 0.00 -1.45 0.00 0.00 42.92 41.95 3bik s ASP 122 CO -0.02 -1.00 0.09 -0.72 0.13 0.00 0.00 175.17 173.65 3bik s TYR 123 N -3.84 0.10 0.28 -5.34 -0.85 -1.26 -1.31 117.35 105.12 3bik s TYR 123 Ca 0.07 -0.24 0.04 0.00 -0.52 0.00 0.00 57.07 56.42 3bik s TYR 123 Cb -0.00 -0.08 -0.06 0.00 0.38 0.00 0.00 41.96 42.19 3bik s TYR 123 CO -0.06 -0.26 0.03 0.15 -1.52 0.00 0.00 175.55 173.89 3bik s LYS 124 N -1.39 1.52 -0.09 -3.49 -0.14 -0.77 -4.96 119.74 110.42 3bik s LYS 124 Ca -0.15 -1.81 0.00 0.00 -1.36 0.00 0.00 55.97 52.65 3bik s LYS 124 Cb -0.08 -0.77 -0.03 0.00 -1.68 0.00 0.00 37.83 35.27 3bik s LYS 124 CO 0.01 -0.14 -0.08 1.03 -0.76 0.00 0.00 175.35 175.41 3bik s ARG 125 N -3.88 2.93 -0.07 1.68 0.52 -1.26 -2.10 118.95 116.76 3bik s ARG 125 Ca 0.33 -0.57 0.02 0.00 -0.52 0.00 0.00 55.73 54.99 3bik s ARG 125 Cb 0.07 -2.62 0.01 0.00 0.52 0.00 0.00 34.95 32.93 3bik s ARG 125 CO 0.13 0.55 -0.12 0.42 0.02 0.00 0.00 175.30 176.30 3bik s ILE 126 N -0.52 1.16 -0.25 1.52 1.01 0.11 -4.85 121.20 119.38 3bik s ILE 126 Ca 0.08 -0.48 -0.15 0.00 0.00 0.00 0.00 60.65 60.09 3bik s ILE 126 Cb -0.12 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 3bik s ILE 126 CO 0.02 0.36 0.37 -0.89 0.00 0.00 0.00 174.94 174.80 3bik s THR 127 N 0.71 5.19 -0.16 2.92 2.01 0.45 0.20 115.64 126.96 3bik s THR 127 Ca -0.14 0.59 -0.06 0.00 0.31 0.00 0.00 61.69 62.38 3bik s THR 127 Cb -0.16 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 3bik s THR 127 CO 0.03 0.20 0.05 -0.69 -0.69 0.00 0.00 174.62 173.52 3bik s VAL 128 N 1.77 4.73 -0.09 3.82 1.01 -0.59 -0.95 120.40 130.10 3bik s VAL 128 Ca 0.16 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.11 3bik s VAL 128 Cb -0.15 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.13 3bik s VAL 128 CO 0.09 0.50 -0.21 -0.54 0.00 0.00 0.00 175.10 174.93 3bik s LYS 129 N 0.08 2.69 -0.21 2.72 1.02 -0.66 -1.54 119.74 123.84 3bik s LYS 129 Ca 0.05 -0.78 -0.06 0.00 0.02 0.00 0.00 55.97 55.20 3bik s LYS 129 Cb -0.12 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 3bik s LYS 129 CO 0.01 0.17 0.04 0.08 -0.92 0.00 0.00 175.35 174.73 3bik s VAL 130 N 0.35 4.34 0.56 3.17 1.01 -1.26 -1.88 120.40 126.70 3bik s VAL 130 Ca -0.16 -0.18 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 3bik s VAL 130 Cb -0.17 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 3bik s VAL 130 CO 0.07 0.41 0.95 0.20 0.00 0.00 0.00 175.10 176.73 3bik s ASN 131 N 0.96 6.28 -0.06 3.32 0.01 0.13 -4.78 114.94 120.80 3bik s ASN 131 Ca 0.03 1.28 -0.02 0.00 -0.71 0.00 0.00 52.86 53.44 3bik s ASN 131 Cb -0.14 -2.40 0.04 0.00 0.41 0.00 0.00 41.25 39.15 3bik s ASN 131 CO 0.02 -0.75 0.11 0.00 -1.51 0.00 0.00 177.10 174.98 3bik s ALA 132 N -2.98 -0.12 0.16 0.60 0.00 -0.70 -0.91 121.76 117.80 3bik s ALA 132 Ca 0.53 0.53 -0.26 0.00 0.00 0.00 0.00 51.96 52.76 3bik s ALA 132 Cb -0.11 -0.49 -0.08 0.00 0.00 0.00 0.00 23.12 22.44 3bik s ALA 132 CO 0.49 -0.25 0.79 -1.25 0.00 0.00 0.00 175.76 175.54 3bik s PRO 133 N 1.46 4.58 -1.33 0.00 0.04 -1.26 -0.99 135.00 137.50 3bik s PRO 133 Ca -0.06 1.18 -0.14 0.00 0.04 0.00 0.00 61.00 62.03 3bik s PRO 133 Cb -0.12 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 3bik s PRO 133 CO -0.05 0.53 2.35 0.66 0.04 0.00 0.00 177.00 180.53 3bik n TYR 134 N 1.76 2.76 0.05 0.56 4.01 -1.26 -4.58 117.16 120.46 3bik n TYR 134 Ca -0.05 -2.71 -0.22 0.00 -0.16 0.00 0.00 57.90 54.75 3bik n TYR 134 Cb 0.49 -2.31 -0.15 0.00 -0.31 0.00 0.00 39.34 37.06 3bik n TYR 134 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3bik h ASN 135 N 6.10 0.54 -3.02 7.72 2.35 -1.94 -3.44 115.58 123.90 3bik h ASN 135 Ca 0.62 -0.93 -0.74 0.00 -0.55 0.00 0.00 56.30 54.70 3bik h ASN 135 Cb 0.51 -0.18 -0.22 0.00 0.05 0.00 0.00 38.32 38.48 3bik h ASN 135 CO 1.83 1.78 -0.08 -0.54 -1.65 0.00 0.00 177.43 178.78 3bik s LYS 136 N -2.56 3.02 -0.28 0.81 -0.14 -1.26 -5.02 119.74 114.30 3bik s LYS 136 Ca -0.18 -1.56 -0.08 0.00 -1.36 0.00 0.00 55.97 52.79 3bik s LYS 136 Cb 0.05 -4.29 -0.01 0.00 -1.68 0.00 0.00 37.83 31.90 3bik s LYS 136 CO 0.82 -1.42 0.11 0.42 -0.76 0.00 0.00 175.35 174.52 3bik s ILE 137 N 2.03 4.36 0.30 2.17 1.01 -1.26 -4.37 121.20 125.45 3bik s ILE 137 Ca 0.07 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 3bik s ILE 137 Cb -0.27 -3.16 -0.06 0.00 0.01 0.00 0.00 42.46 38.98 3bik s ILE 137 CO 0.04 0.17 0.59 0.20 0.00 0.00 0.00 174.94 175.94 3bik s ASN 138 N 1.59 6.47 0.00 3.58 -0.87 0.20 -4.89 114.94 121.02 3bik s ASN 138 Ca 0.05 0.80 -0.04 0.00 -1.57 0.00 0.00 52.86 52.10 3bik s ASN 138 Cb -0.16 -2.18 -0.00 0.00 -0.02 0.00 0.00 41.25 38.88 3bik s ASN 138 CO 0.04 -0.22 0.07 0.00 -2.57 0.00 0.00 177.10 174.43 3bik s GLN 139 N -3.53 0.36 -0.00 -0.60 -2.07 -1.26 -1.06 119.66 111.51 3bik s GLN 139 Ca 0.45 -0.38 0.01 0.00 -1.82 0.00 0.00 55.36 53.62 3bik s GLN 139 Cb -0.11 0.15 0.00 0.00 -1.09 0.00 0.00 33.01 31.96 3bik s GLN 139 CO 0.29 -0.08 -0.02 0.50 -1.32 0.00 0.00 175.29 174.67 3bik s ARG 140 N -1.17 0.19 -0.16 9.60 3.52 -0.50 -4.97 118.95 125.46 3bik s ARG 140 Ca -0.13 -0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 3bik s ARG 140 Cb -0.07 -0.20 0.03 0.00 -1.56 0.00 0.00 34.95 33.15 3bik s ARG 140 CO 0.00 0.03 -0.10 0.42 -0.81 0.00 0.00 175.30 174.84 3bik s ILE 141 N 0.05 1.42 0.11 4.11 1.01 -1.26 -1.29 121.20 125.35 3bik s ILE 141 Ca -0.00 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 60.03 3bik s ILE 141 Cb -0.02 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 3bik s ILE 141 CO -0.00 0.31 -0.15 -0.76 0.00 0.00 0.00 174.94 174.33 3bik s LEU 142 N 1.52 2.36 -0.27 2.97 1.43 -0.91 -5.00 118.68 120.77 3bik s LEU 142 Ca 0.03 -0.74 -0.17 0.00 -1.03 0.00 0.00 54.13 52.21 3bik s LEU 142 Cb -0.14 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 3bik s LEU 142 CO -0.09 -0.09 0.47 0.68 0.23 0.00 0.00 176.35 177.55 3bik s VAL 143 N -1.77 5.10 -0.08 -1.59 -7.23 -1.26 -1.00 120.40 112.57 3bik s VAL 143 Ca 0.06 0.72 -0.03 0.00 -1.81 0.00 0.00 61.98 60.92 3bik s VAL 143 Cb -0.07 -3.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.05 3bik s VAL 143 CO 0.03 0.07 0.14 0.58 -0.31 0.00 0.00 175.10 175.61 3bik h VAL 144 N 5.42 0.00 -3.23 1.32 2.07 -0.99 -3.45 116.25 117.39 3bik h VAL 144 Ca -0.30 -0.80 -0.55 0.00 0.82 0.00 0.00 66.70 65.87 3bik h VAL 144 Cb 1.15 0.00 -0.37 0.00 -1.52 0.00 0.00 31.29 30.54 3bik h VAL 144 CO 0.70 0.00 -0.80 -1.81 0.02 0.00 0.00 177.57 175.67 3bik s ASP 145 N -5.12 2.56 -0.02 0.57 1.01 -1.20 -5.01 116.67 109.46 3bik s ASP 145 Ca -0.02 -0.49 0.00 0.00 0.71 0.00 0.00 52.55 52.75 3bik s ASP 145 Cb 0.00 -0.94 0.02 0.00 1.01 0.00 0.00 42.92 43.01 3bik s ASP 145 CO 0.05 -0.13 1.36 -0.81 0.21 0.00 0.00 175.17 175.84 3bik n PRO 146 N 4.88 1.05 0.00 8.23 -0.04 -1.26 -1.07 135.00 146.79 3bik n PRO 146 Ca -0.13 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 3bik n PRO 146 Cb 0.49 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 3bik n PRO 146 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3bik n VAL 147 N 0.77 0.01 0.56 0.52 0.31 -1.26 -4.72 118.33 114.51 3bik n VAL 147 Ca 0.02 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.48 3bik n VAL 147 Cb 0.53 -1.34 0.34 0.00 -0.91 0.00 0.00 33.84 32.46 3bik n VAL 147 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3bik h THR 148 N 0.00 0.00 -2.08 2.52 1.35 -1.99 -3.47 112.91 109.25 3bik h THR 148 Ca 0.00 -0.56 -0.32 0.00 -0.55 0.00 0.00 66.41 64.98 3bik h THR 148 Cb 0.84 1.50 -0.03 0.00 -1.73 0.00 0.00 68.15 68.73 3bik h THR 148 CO 0.00 0.00 -0.39 -1.54 -0.25 0.00 0.00 175.52 173.34 3bik n SER 149 N -2.37 -4.74 -4.72 5.36 3.41 -0.23 -4.74 113.62 105.59 3bik n SER 149 Ca 0.05 0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.27 3bik n SER 149 Cb 0.45 -3.83 -0.03 0.00 -0.26 0.00 0.00 64.21 60.53 3bik n SER 149 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3bik s GLU 150 N -4.62 4.38 0.12 4.33 2.12 -1.17 -2.25 118.70 121.63 3bik s GLU 150 Ca 0.00 1.97 0.08 0.00 0.36 0.00 0.00 54.97 57.38 3bik s GLU 150 Cb 0.00 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 3bik s GLU 150 CO 0.00 -0.31 -0.13 -1.01 -0.54 0.00 0.00 175.26 173.27 3bik s HIS 151 N 0.74 2.64 -0.32 5.30 3.76 0.20 -0.30 115.29 127.31 3bik s HIS 151 Ca 0.60 -0.21 -0.03 0.00 -0.15 0.00 0.00 55.06 55.27 3bik s HIS 151 Cb -0.34 -1.37 0.06 0.00 1.11 0.00 0.00 32.58 32.03 3bik s HIS 151 CO 0.32 0.43 0.04 -2.00 -0.85 0.00 0.00 174.74 172.69 3bik s GLU 152 N -2.31 2.41 -0.09 1.40 2.12 -0.17 -1.20 118.70 120.85 3bik s GLU 152 Ca 0.21 -1.32 -0.06 0.00 0.36 0.00 0.00 54.97 54.15 3bik s GLU 152 Cb -0.10 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 3bik s GLU 152 CO 0.13 -0.69 0.16 -0.51 -0.54 0.00 0.00 175.26 173.81 3bik s LEU 153 N 1.27 4.39 -0.02 2.70 1.43 0.11 -2.15 118.68 126.40 3bik s LEU 153 Ca -0.03 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 3bik s LEU 153 Cb -0.20 -2.19 0.02 0.00 0.03 0.00 0.00 46.19 43.84 3bik s LEU 153 CO -0.01 0.38 -0.02 -0.89 0.23 0.00 0.00 176.35 176.04 3bik s THR 154 N -1.09 0.31 -0.06 5.49 2.01 -0.41 -0.75 115.64 121.14 3bik s THR 154 Ca 0.18 -0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.16 3bik s THR 154 Cb -0.12 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 72.05 3bik s THR 154 CO 0.07 0.15 -0.14 0.00 -0.69 0.00 0.00 174.62 174.01 3bik s GLN 156 N 0.42 0.05 0.16 0.00 1.03 -0.22 -1.50 119.66 119.59 3bik s GLN 156 Ca -0.11 0.14 -0.11 0.00 0.04 0.00 0.00 55.36 55.32 3bik s GLN 156 Cb -0.14 -0.05 0.00 0.00 0.03 0.00 0.00 33.01 32.85 3bik s GLN 156 CO 0.03 -0.06 0.33 0.00 -2.54 0.00 0.00 175.29 173.05 3bik s ALA 157 N 0.39 -0.27 0.02 2.60 0.00 -0.79 -0.63 121.76 123.08 3bik s ALA 157 Ca -0.03 -0.67 0.08 0.00 0.00 0.00 0.00 51.96 51.34 3bik s ALA 157 Cb -0.04 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 3bik s ALA 157 CO -0.01 -0.66 -0.22 -1.21 0.00 0.00 0.00 175.76 173.66 3bik s GLU 158 N -3.93 2.03 -0.06 0.00 2.02 -1.26 -1.77 118.70 115.74 3bik s GLU 158 Ca 0.13 -0.99 -0.30 0.00 0.02 0.00 0.00 54.97 53.84 3bik s GLU 158 Cb 0.03 -2.11 0.10 0.00 0.10 0.00 0.00 34.13 32.24 3bik s GLU 158 CO -0.03 0.54 1.34 0.20 0.02 0.00 0.00 175.26 177.33 3bik s GLY 159 N -1.15 -0.19 -0.22 -1.39 0.00 -0.90 -4.01 107.32 99.46 3bik s GLY 159 Ca 0.12 0.14 -0.18 0.00 0.00 0.00 0.00 44.72 44.80 3bik s GLY 159 CO 0.02 6.09 0.58 -0.47 0.00 0.00 0.00 173.10 179.32 3bik s TYR 160 N -2.02 -0.71 0.00 1.90 5.04 -0.16 -1.35 117.35 120.06 3bik s TYR 160 Ca 0.30 1.63 0.00 0.00 -2.44 0.00 0.00 57.07 56.57 3bik s TYR 160 Cb 0.00 0.30 0.00 0.00 0.35 0.00 0.00 41.96 42.61 3bik s TYR 160 CO -0.02 -0.35 0.00 -0.35 -1.34 0.00 0.00 175.55 173.49 3bik n PRO 161 N 3.22 1.51 -2.14 4.97 -0.04 -1.26 -1.72 135.00 139.54 3bik n PRO 161 Ca -0.16 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.89 3bik n PRO 161 Cb 0.56 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.00 3bik n PRO 161 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3bik s LYS 162 N 0.00 4.35 0.03 0.54 2.20 -1.26 -4.87 119.74 120.73 3bik s LYS 162 Ca 0.00 2.15 0.04 0.00 -0.36 0.00 0.00 55.97 57.80 3bik s LYS 162 Cb 0.00 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 3bik s LYS 162 CO 0.00 -0.29 -0.04 0.00 -0.36 0.00 0.00 175.35 174.66 3bik s ALA 163 N -0.14 3.13 0.20 3.13 0.00 -1.26 -4.55 121.76 122.27 3bik s ALA 163 Ca 0.56 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 51.51 3bik s ALA 163 Cb -0.39 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 3bik s ALA 163 CO 0.42 0.64 0.34 -1.83 0.00 0.00 0.00 175.76 175.33 3bik s GLU 164 N -1.73 3.44 -0.20 0.00 -1.05 -0.80 -4.86 118.70 113.50 3bik s GLU 164 Ca 0.20 -0.67 -0.04 0.00 -0.15 0.00 0.00 54.97 54.31 3bik s GLU 164 Cb -0.11 -2.91 -0.02 0.00 -0.44 0.00 0.00 34.13 30.65 3bik s GLU 164 CO 0.11 0.46 -0.03 0.08 0.95 0.00 0.00 175.26 176.83 3bik s VAL 165 N -1.89 3.63 -0.25 1.83 1.01 -1.26 -0.72 120.40 122.75 3bik s VAL 165 Ca 0.35 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 3bik s VAL 165 Cb -0.10 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3bik s VAL 165 CO 0.29 0.44 0.12 -0.63 0.00 0.00 0.00 175.10 175.31 3bik s ILE 166 N 1.08 4.80 -0.05 2.22 1.01 -0.14 -4.92 121.20 125.20 3bik s ILE 166 Ca 0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 60.65 60.46 3bik s ILE 166 Cb -0.15 -3.25 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 3bik s ILE 166 CO 0.00 0.33 0.54 0.26 0.00 0.00 0.00 174.94 176.07 3bik s TRP 167 N 1.43 3.62 0.05 3.97 0.52 -1.26 -0.55 118.94 126.71 3bik s TRP 167 Ca 0.06 1.07 0.04 0.00 0.02 0.00 0.00 56.10 57.29 3bik s TRP 167 Cb -0.15 -2.57 -0.02 0.00 -1.15 0.00 0.00 33.47 29.58 3bik s TRP 167 CO 0.06 0.29 -0.12 0.95 0.02 0.00 0.00 176.95 178.15 3bik s THR 168 N 0.10 0.96 0.83 2.01 -4.23 0.49 -1.86 115.64 113.95 3bik s THR 168 Ca 0.29 -1.04 -0.12 0.00 -1.18 0.00 0.00 61.69 59.64 3bik s THR 168 Cb -0.17 -0.91 0.11 0.00 1.34 0.00 0.00 72.50 72.88 3bik s THR 168 CO 0.14 -0.12 1.19 -0.94 -0.54 0.00 0.00 174.62 174.35 3bik s SER 169 N -1.31 4.16 0.52 3.99 1.04 -0.18 -0.30 113.70 121.62 3bik s SER 169 Ca -0.01 0.54 0.34 0.00 0.48 0.00 0.00 55.95 57.29 3bik s SER 169 Cb -0.08 -0.93 1.84 0.00 0.10 0.00 0.00 66.02 66.95 3bik s SER 169 CO 0.01 -2.09 2.03 0.77 0.98 0.00 0.00 173.24 174.95 3bik h SER 170 N -1.13 0.00 -0.58 7.02 4.64 -1.42 -1.25 113.55 120.83 3bik h SER 170 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3bik h SER 170 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3bik h SER 170 CO 0.56 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.99 3bik n ASP 171 N -2.72 3.57 -1.52 4.97 8.00 -1.26 -4.98 116.55 122.61 3bik n ASP 171 Ca -0.02 -1.99 -0.11 0.00 0.71 0.00 0.00 54.79 53.38 3bik n ASP 171 Cb 0.09 -0.39 0.01 0.00 -0.02 0.00 0.00 41.12 40.82 3bik n ASP 171 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 3bik n HIS 172 N 1.26 -0.89 -4.33 1.24 -0.00 -0.47 -5.05 115.22 106.97 3bik n HIS 172 Ca 0.20 0.22 -0.33 0.00 0.46 0.00 0.00 57.72 58.27 3bik n HIS 172 Cb 0.55 -2.65 -0.09 0.00 -0.12 0.00 0.00 29.99 27.68 3bik n HIS 172 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 3bik s GLN 173 N -5.01 2.76 0.19 1.57 -0.21 -1.26 -4.87 119.66 112.82 3bik s GLN 173 Ca 0.13 -0.61 -0.30 0.00 0.02 0.00 0.00 55.36 54.60 3bik s GLN 173 Cb -0.06 -2.65 -0.08 0.00 1.00 0.00 0.00 33.01 31.23 3bik s GLN 173 CO 0.16 0.63 0.97 0.08 -2.12 0.00 0.00 175.29 175.01 3bik s VAL 174 N -1.04 4.18 0.16 1.09 1.01 -1.26 -1.01 120.40 123.52 3bik s VAL 174 Ca 0.18 2.00 0.09 0.00 0.00 0.00 0.00 61.98 64.26 3bik s VAL 174 Cb -0.11 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3bik s VAL 174 CO 0.09 0.40 -0.21 -0.76 0.00 0.00 0.00 175.10 174.62 3bik s LEU 175 N -0.68 2.40 -0.64 3.92 1.43 -0.77 -4.96 118.68 119.38 3bik s LEU 175 Ca 0.44 -0.82 -0.27 0.00 -1.03 0.00 0.00 54.13 52.45 3bik s LEU 175 Cb -0.26 -0.95 0.03 0.00 0.03 0.00 0.00 46.19 45.05 3bik s LEU 175 CO 0.32 0.04 1.20 -0.44 0.23 0.00 0.00 176.35 177.70 3bik s SER 176 N -2.47 6.33 0.41 2.29 0.01 -1.26 -4.34 113.70 114.66 3bik s SER 176 Ca 0.15 -0.16 0.08 0.00 1.31 0.00 0.00 55.95 57.32 3bik s SER 176 Cb -0.07 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 3bik s SER 176 CO 0.07 -1.60 0.39 -0.83 0.41 0.00 0.00 173.24 171.68 3bik s GLY 177 N 3.27 2.06 -0.09 3.44 0.00 -1.26 -4.65 107.32 110.09 3bik s GLY 177 Ca 0.39 -1.83 0.04 0.00 0.00 0.00 0.00 44.72 43.32 3bik s GLY 177 CO 0.21 -1.65 -0.23 -1.59 0.00 0.00 0.00 173.10 169.84 3bik s LYS 178 N -4.14 2.98 -0.09 2.90 -2.85 -0.01 -4.93 119.74 113.60 3bik s LYS 178 Ca 0.48 -0.86 -0.00 0.00 -1.00 0.00 0.00 55.97 54.59 3bik s LYS 178 Cb -0.04 -2.31 -0.03 0.00 -2.06 0.00 0.00 37.83 33.39 3bik s LYS 178 CO 0.28 0.23 -0.06 0.99 0.10 0.00 0.00 175.35 176.89 3bik s THR 179 N 0.23 3.73 0.01 3.79 2.01 -1.26 -0.52 115.64 123.63 3bik s THR 179 Ca -0.15 -0.45 0.07 0.00 0.31 0.00 0.00 61.69 61.48 3bik s THR 179 Cb -0.17 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 3bik s THR 179 CO 0.08 0.57 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.46 3bik s THR 180 N -0.46 2.39 -0.16 -0.82 2.01 0.20 -4.98 115.64 113.81 3bik s THR 180 Ca 0.07 -1.15 -0.03 0.00 0.31 0.00 0.00 61.69 60.90 3bik s THR 180 Cb -0.12 -1.91 0.05 0.00 0.01 0.00 0.00 72.50 70.53 3bik s THR 180 CO 0.02 0.47 0.03 -0.89 -0.69 0.00 0.00 174.62 173.56 3bik s THR 181 N -0.75 0.44 0.40 -0.82 2.01 -1.26 -1.45 115.64 114.21 3bik s THR 181 Ca 0.12 -0.33 0.04 0.00 0.31 0.00 0.00 61.69 61.82 3bik s THR 181 Cb -0.10 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 3bik s THR 181 CO 0.01 -0.07 0.12 0.42 -0.69 0.00 0.00 174.62 174.41 3bik s THR 182 N 1.91 0.67 0.32 -0.82 -4.23 -0.32 -4.96 115.64 108.21 3bik s THR 182 Ca 0.01 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.32 3bik s THR 182 Cb -0.16 -2.39 -0.09 0.00 1.34 0.00 0.00 72.50 71.20 3bik s THR 182 CO -0.07 0.00 0.84 0.20 -0.54 0.00 0.00 174.62 175.04 3bik s ASN 183 N -3.60 7.03 0.81 3.99 0.01 -1.26 0.88 114.94 122.80 3bik s ASN 183 Ca 0.25 1.55 -0.11 0.00 -0.71 0.00 0.00 52.86 53.84 3bik s ASN 183 Cb 0.03 -2.48 0.08 0.00 0.41 0.00 0.00 41.25 39.29 3bik s ASN 183 CO 0.14 -0.14 1.09 -0.55 -1.51 0.00 0.00 177.10 176.13 3bik s SER 184 N -1.92 4.24 -0.04 -1.22 0.15 0.54 -4.69 113.70 110.76 3bik s SER 184 Ca 0.52 1.58 0.05 0.00 0.70 0.00 0.00 55.95 58.81 3bik s SER 184 Cb -0.14 -2.30 -0.08 0.00 -1.71 0.00 0.00 66.02 61.79 3bik s SER 184 CO 0.19 -2.17 0.06 0.29 1.20 0.00 0.00 173.24 172.81 3bik n LYS 185 N -3.59 2.01 -0.04 5.44 5.02 -1.26 -4.70 118.16 121.05 3bik n LYS 185 Ca 0.08 -0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.21 3bik n LYS 185 Cb 0.54 -1.14 -0.09 0.00 -0.02 0.00 0.00 35.03 34.33 3bik n LYS 185 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bik h ARG 186 N 0.00 0.24 0.00 1.97 3.08 -1.99 -3.46 114.38 114.22 3bik h ARG 186 Ca -0.09 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3bik h ARG 186 Cb 0.94 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.01 3bik h ARG 186 CO 0.01 0.75 0.00 0.39 -1.07 0.00 0.00 179.97 180.04 3bik n GLU 187 N -4.59 0.00 0.00 0.04 4.71 -1.26 -5.17 120.64 114.37 3bik n GLU 187 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 3bik n GLU 187 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.82 3bik n GLU 187 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3bik n GLU 188 N 0.00 0.00 0.00 3.49 -0.58 -1.26 -4.96 120.64 117.33 3bik n GLU 188 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3bik n GLU 188 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3bik n GLU 188 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3bik n LYS 189 N 0.00 0.97 -1.87 3.49 5.02 -1.26 -3.98 118.16 120.53 3bik n LYS 189 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3bik n LYS 189 Cb 0.00 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 3bik n LYS 189 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3bik s LEU 190 N -0.24 4.37 0.08 -0.35 1.43 -1.26 -4.88 118.68 117.83 3bik s LEU 190 Ca 0.00 2.58 -0.30 0.00 -1.03 0.00 0.00 54.13 55.37 3bik s LEU 190 Cb 0.00 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.60 3bik s LEU 190 CO 0.00 -0.91 1.12 -0.36 0.23 0.00 0.00 176.35 176.43 3bik s PHE 191 N 2.49 3.53 -0.36 0.29 0.40 -0.45 -0.34 117.98 123.55 3bik s PHE 191 Ca 0.75 1.47 -0.13 0.00 -0.60 0.00 0.00 56.93 58.43 3bik s PHE 191 Cb -0.42 -3.31 -0.00 0.00 0.51 0.00 0.00 43.02 39.80 3bik s PHE 191 CO 0.33 -0.81 0.24 1.21 0.70 0.00 0.00 175.22 176.90 3bik s ASN 192 N 0.71 5.98 -0.19 1.36 2.47 0.26 -2.12 114.94 123.41 3bik s ASN 192 Ca 0.55 -0.60 -0.02 0.00 0.42 0.00 0.00 52.86 53.20 3bik s ASN 192 Cb -0.28 -2.12 -0.00 0.00 -1.45 0.00 0.00 41.25 37.40 3bik s ASN 192 CO 0.30 -0.30 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.60 3bik s VAL 193 N 1.68 3.04 -0.06 -5.21 1.01 -0.73 -1.18 120.40 118.97 3bik s VAL 193 Ca 0.05 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3bik s VAL 193 Cb -0.18 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.87 3bik s VAL 193 CO 0.10 0.47 -0.12 -0.89 0.00 0.00 0.00 175.10 174.66 3bik s THR 194 N 1.16 1.06 -0.02 3.92 2.01 -0.53 -1.89 115.64 121.36 3bik s THR 194 Ca 0.02 -0.45 0.03 0.00 0.31 0.00 0.00 61.69 61.60 3bik s THR 194 Cb -0.14 -0.97 -0.01 0.00 0.01 0.00 0.00 72.50 71.39 3bik s THR 194 CO -0.03 0.33 -0.12 -0.55 -0.69 0.00 0.00 174.62 173.57 3bik s SER 195 N 0.56 1.44 -0.08 3.53 0.15 -0.56 0.58 113.70 119.31 3bik s SER 195 Ca -0.12 -0.22 0.05 0.00 0.70 0.00 0.00 55.95 56.35 3bik s SER 195 Cb -0.14 -0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 63.92 3bik s SER 195 CO 0.03 0.13 -0.23 0.42 1.20 0.00 0.00 173.24 174.78 3bik s THR 196 N -0.13 2.18 -0.24 6.45 -4.23 0.32 -2.05 115.64 117.94 3bik s THR 196 Ca 0.02 -1.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.49 3bik s THR 196 Cb -0.06 -1.82 -0.00 0.00 1.34 0.00 0.00 72.50 71.96 3bik s THR 196 CO 0.00 0.56 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.40 3bik s LEU 197 N 0.09 3.11 -0.30 4.79 0.20 0.07 -0.83 118.68 125.81 3bik s LEU 197 Ca -0.11 -0.49 -0.05 0.00 0.69 0.00 0.00 54.13 54.17 3bik s LEU 197 Cb -0.16 -1.76 0.03 0.00 -0.43 0.00 0.00 46.19 43.87 3bik s LEU 197 CO 0.06 -0.06 0.06 -0.13 -0.29 0.00 0.00 176.35 175.99 3bik s ARG 198 N 1.47 2.84 -0.01 1.98 0.52 -1.26 0.08 118.95 124.56 3bik s ARG 198 Ca 0.05 -1.02 -0.12 0.00 -0.52 0.00 0.00 55.73 54.11 3bik s ARG 198 Cb -0.15 -3.33 0.02 0.00 0.52 0.00 0.00 34.95 32.01 3bik s ARG 198 CO -0.02 -0.53 0.26 -1.50 0.02 0.00 0.00 175.30 173.53 3bik s ILE 199 N 1.42 0.06 -0.13 1.52 2.07 -0.34 -4.94 121.20 120.86 3bik s ILE 199 Ca 0.00 -0.52 -0.28 0.00 -1.41 0.00 0.00 60.65 58.44 3bik s ILE 199 Cb -0.18 -0.55 -0.01 0.00 0.13 0.00 0.00 42.46 41.84 3bik s ILE 199 CO 0.01 -0.28 0.95 0.20 -1.91 0.00 0.00 174.94 173.91 3bik s ASN 200 N -1.28 7.15 0.31 4.50 -0.87 -1.26 0.61 114.94 124.10 3bik s ASN 200 Ca -0.13 1.42 -0.09 0.00 -1.57 0.00 0.00 52.86 52.48 3bik s ASN 200 Cb -0.06 -2.52 0.01 0.00 -0.02 0.00 0.00 41.25 38.66 3bik s ASN 200 CO 0.03 -0.44 0.54 0.28 -2.57 0.00 0.00 177.10 174.95 3bik s THR 201 N 2.08 0.00 0.27 1.60 -1.32 -0.95 -4.95 115.64 112.37 3bik s THR 201 Ca 0.45 -1.40 0.11 0.00 -1.21 0.00 0.00 61.69 59.64 3bik s THR 201 Cb -0.18 -2.50 -0.05 0.00 -1.51 0.00 0.00 72.50 68.27 3bik s THR 201 CO 0.16 0.00 -0.09 0.28 -2.21 0.00 0.00 174.62 172.76 3bik s THR 202 N -3.31 3.04 0.40 5.08 -1.32 -1.26 -4.83 115.64 113.44 3bik s THR 202 Ca 0.24 -2.11 -0.25 0.00 -1.21 0.00 0.00 61.69 58.36 3bik s THR 202 Cb -0.02 -2.61 -0.11 0.00 -1.51 0.00 0.00 72.50 68.25 3bik s THR 202 CO 0.14 -0.38 0.97 0.41 -2.21 0.00 0.00 174.62 173.55 3bik n THR 203 N -0.75 2.32 -0.86 5.08 -1.04 -1.26 -2.64 114.28 115.13 3bik n THR 203 Ca -0.06 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 3bik n THR 203 Cb 0.59 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 3bik n THR 203 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3bik n ASN 204 N 0.68 -0.05 -4.76 8.00 3.02 0.91 -4.95 115.26 118.11 3bik n ASN 204 Ca 0.10 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.26 3bik n ASN 204 Cb 0.38 -0.71 -0.06 0.00 -0.61 0.00 0.00 39.78 38.78 3bik n ASN 204 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3bik s GLU 205 N -0.29 4.73 -0.23 3.52 2.12 -1.08 -4.76 118.70 122.72 3bik s GLU 205 Ca 0.00 1.47 -0.08 0.00 0.36 0.00 0.00 54.97 56.72 3bik s GLU 205 Cb 0.00 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 3bik s GLU 205 CO 0.00 0.40 0.08 0.42 -0.54 0.00 0.00 175.26 175.61 3bik s ILE 206 N -1.33 4.56 0.12 -3.70 1.01 -1.26 -1.63 121.20 118.97 3bik s ILE 206 Ca 0.45 -0.10 0.08 0.00 0.00 0.00 0.00 60.65 61.08 3bik s ILE 206 Cb -0.24 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 3bik s ILE 206 CO 0.30 0.38 -0.15 -0.36 0.00 0.00 0.00 174.94 175.11 3bik s PHE 207 N 1.16 2.60 -0.07 3.97 0.40 0.42 -1.01 117.98 125.46 3bik s PHE 207 Ca 0.05 -0.23 0.04 0.00 -0.60 0.00 0.00 56.93 56.18 3bik s PHE 207 Cb -0.14 -1.36 0.00 0.00 0.51 0.00 0.00 43.02 42.03 3bik s PHE 207 CO 0.04 0.42 -0.17 0.71 0.70 0.00 0.00 175.22 176.91 3bik s TYR 208 N -1.24 1.86 -0.15 0.36 1.51 0.59 -0.12 117.35 120.16 3bik s TYR 208 Ca 0.20 -0.66 -0.01 0.00 -1.01 0.00 0.00 57.07 55.59 3bik s TYR 208 Cb -0.10 -1.28 -0.01 0.00 -0.11 0.00 0.00 41.96 40.45 3bik s TYR 208 CO 0.12 -0.27 -0.12 0.00 -1.11 0.00 0.00 175.55 174.16 3bik s THR 210 N 0.68 3.07 -0.21 0.00 2.01 0.29 -1.51 115.64 119.97 3bik s THR 210 Ca -0.06 -0.63 -0.22 0.00 0.31 0.00 0.00 61.69 61.09 3bik s THR 210 Cb -0.15 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 3bik s THR 210 CO 0.02 0.49 0.69 -0.36 -0.69 0.00 0.00 174.62 174.77 3bik s PHE 211 N 0.82 3.35 -0.29 4.92 0.40 0.14 -0.97 117.98 126.35 3bik s PHE 211 Ca -0.04 0.98 -0.00 0.00 -0.60 0.00 0.00 56.93 57.28 3bik s PHE 211 Cb -0.15 -2.88 0.05 0.00 0.51 0.00 0.00 43.02 40.56 3bik s PHE 211 CO 0.01 -0.25 -0.04 0.50 0.70 0.00 0.00 175.22 176.14 3bik s ARG 212 N 2.20 2.37 0.16 0.44 3.52 0.10 -1.41 118.95 126.33 3bik s ARG 212 Ca 0.30 -1.29 0.08 0.00 -0.13 0.00 0.00 55.73 54.69 3bik s ARG 212 Cb -0.16 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 3bik s ARG 212 CO 0.10 -0.60 -0.16 -0.98 -0.81 0.00 0.00 175.30 172.84 3bik s ARG 213 N 1.20 1.21 0.55 5.12 1.70 -0.49 -1.90 118.95 126.34 3bik s ARG 213 Ca -0.06 -1.39 0.08 0.00 -0.47 0.00 0.00 55.73 53.89 3bik s ARG 213 Cb -0.20 -1.17 0.06 0.00 -0.57 0.00 0.00 34.95 33.07 3bik s ARG 213 CO -0.02 0.23 0.64 -0.51 -1.08 0.00 0.00 175.30 174.56 3bik s LEU 214 N -2.70 3.03 -0.87 -1.89 2.01 -1.26 -0.58 118.68 116.42 3bik s LEU 214 Ca 0.15 -0.94 -0.03 0.00 0.01 0.00 0.00 54.13 53.32 3bik s LEU 214 Cb -0.05 -1.58 -0.03 0.00 0.01 0.00 0.00 46.19 44.54 3bik s LEU 214 CO 0.06 -1.20 0.79 0.47 1.01 0.00 0.00 176.35 177.47 3bik n ASP 215 N -2.04 -7.28 -4.63 2.29 8.00 -1.26 -4.57 116.55 107.06 3bik n ASP 215 Ca 0.10 -0.35 -0.27 0.00 0.71 0.00 0.00 54.79 54.98 3bik n ASP 215 Cb 0.62 -5.25 0.12 0.00 -0.02 0.00 0.00 41.12 36.58 3bik n ASP 215 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3bik s PRO 216 N -3.61 1.58 0.34 -0.24 0.04 -1.26 -4.84 135.00 127.01 3bik s PRO 216 Ca 0.20 -0.44 -0.29 0.00 0.04 0.00 0.00 61.00 60.52 3bik s PRO 216 Cb -0.03 -2.08 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 3bik s PRO 216 CO 0.74 -1.69 1.51 -1.91 0.04 0.00 0.00 177.00 175.70 3bik n GLU 217 N -3.21 2.63 -3.67 4.56 2.13 -1.26 -4.91 120.64 116.92 3bik n GLU 217 Ca 0.12 0.93 -0.11 0.00 0.66 0.00 0.00 57.16 58.75 3bik n GLU 217 Cb 0.60 -2.66 -0.11 0.00 0.27 0.00 0.00 31.44 29.53 3bik n GLU 217 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3bik s GLU 218 N -1.47 0.24 -0.31 5.31 2.12 0.25 -4.97 118.70 119.87 3bik s GLU 218 Ca 0.58 0.86 0.00 0.00 0.36 0.00 0.00 54.97 56.77 3bik s GLU 218 Cb -0.49 0.12 0.07 0.00 0.26 0.00 0.00 34.13 34.08 3bik s GLU 218 CO 0.58 -0.26 0.01 -0.80 -0.54 0.00 0.00 175.26 174.26 3bik s ASN 219 N 2.38 4.81 -0.14 -1.70 0.01 -1.26 -1.39 114.94 117.66 3bik s ASN 219 Ca -0.01 -1.59 0.00 0.00 -0.71 0.00 0.00 52.86 50.55 3bik s ASN 219 Cb -0.12 -1.67 -0.01 0.00 0.41 0.00 0.00 41.25 39.86 3bik s ASN 219 CO -0.11 -0.31 -0.14 -1.00 -1.51 0.00 0.00 177.10 174.03 3bik s HIS 220 N 1.13 2.78 -0.03 2.20 3.76 -0.50 -4.95 115.29 119.68 3bik s HIS 220 Ca -0.01 -0.79 0.06 0.00 -0.15 0.00 0.00 55.06 54.16 3bik s HIS 220 Cb -0.20 -1.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.63 3bik s HIS 220 CO -0.04 -0.31 -0.21 0.99 -0.85 0.00 0.00 174.74 174.32 3bik s THR 221 N 0.51 1.70 0.28 1.30 2.01 -1.26 0.23 115.64 120.40 3bik s THR 221 Ca -0.10 -0.89 0.09 0.00 0.31 0.00 0.00 61.69 61.11 3bik s THR 221 Cb -0.16 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 3bik s THR 221 CO 0.04 0.48 0.03 0.00 -0.69 0.00 0.00 174.62 174.49 3bik s ALA 222 N -0.25 3.25 -0.11 7.40 0.00 -0.57 -4.99 121.76 126.50 3bik s ALA 222 Ca 0.02 -1.70 0.02 0.00 0.00 0.00 0.00 51.96 50.30 3bik s ALA 222 Cb -0.11 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.27 3bik s ALA 222 CO 0.01 0.21 -0.17 -2.00 0.00 0.00 0.00 175.76 173.81 3bik s GLU 223 N -3.72 2.42 -0.19 0.00 2.12 -1.26 -2.28 118.70 115.79 3bik s GLU 223 Ca 0.33 -0.64 -0.01 0.00 0.36 0.00 0.00 54.97 55.01 3bik s GLU 223 Cb -0.05 -2.00 0.00 0.00 0.26 0.00 0.00 34.13 32.34 3bik s GLU 223 CO 0.21 -0.02 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.28 3bik s LEU 224 N 0.86 2.58 -0.14 2.70 1.02 0.83 -4.97 118.68 121.56 3bik s LEU 224 Ca -0.09 -0.48 -0.04 0.00 0.02 0.00 0.00 54.13 53.54 3bik s LEU 224 Cb -0.15 -1.62 -0.03 0.00 0.02 0.00 0.00 46.19 44.40 3bik s LEU 224 CO -0.00 0.02 0.01 -0.69 0.02 0.00 0.00 176.35 175.71 3bik s VAL 225 N 1.22 4.37 -0.16 -1.59 1.01 -1.26 -0.43 120.40 123.56 3bik s VAL 225 Ca 0.02 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 3bik s VAL 225 Cb -0.14 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 3bik s VAL 225 CO -0.05 0.53 1.28 -0.63 0.00 0.00 0.00 175.10 176.23 3bik s ILE 226 N -0.14 4.25 0.00 2.22 -1.09 -0.65 -4.94 121.20 120.85 3bik s ILE 226 Ca 0.05 1.51 0.00 0.00 -2.23 0.00 0.00 60.65 59.98 3bik s ILE 226 Cb -0.12 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 3bik s ILE 226 CO 0.02 -0.13 0.00 -2.65 -1.23 0.00 0.00 174.94 170.94 3bik n PRO 227 N 6.63 -0.55 -3.46 2.79 -0.02 -1.26 -0.07 135.00 139.06 3bik n PRO 227 Ca 0.14 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.41 3bik n PRO 227 Cb 0.45 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.91 3bik n PRO 227 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3bik s GLU 228 N -2.44 2.54 0.00 -0.52 -1.05 -1.26 -4.35 118.70 111.62 3bik s GLU 228 Ca 0.00 -1.54 0.00 0.00 -0.15 0.00 0.00 54.97 53.28 3bik s GLU 228 Cb 0.00 -2.43 0.00 0.00 -0.44 0.00 0.00 34.13 31.26 3bik s GLU 228 CO 0.00 -0.30 0.00 1.47 0.95 0.00 0.00 175.26 177.38