#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bfu n PRO 2 N 0.00 0.52 -0.57 1.61 -0.02 -1.26 -4.66 135.00 130.62 2bfu n PRO 2 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.44 2bfu n PRO 2 Cb 0.00 -1.24 -0.05 0.00 -0.02 0.00 0.00 33.50 32.19 2bfu n PRO 2 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2bfu n VAL 3 N 1.22 1.97 -1.70 -1.45 0.24 -1.26 -4.82 118.33 112.53 2bfu n VAL 3 Ca 0.00 -0.72 -0.44 0.00 -2.04 0.00 0.00 64.34 61.14 2bfu n VAL 3 Cb 0.26 -1.60 -0.03 0.00 -1.47 0.00 0.00 33.84 31.00 2bfu n VAL 3 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bfu n ALA 5 N 3.03 0.00 0.00 0.00 0.00 -1.26 -5.06 120.51 117.22 2bfu n ALA 5 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2bfu n ALA 5 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2bfu n ALA 5 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2bfu n GLU 6 N 0.00 0.00 -2.22 0.00 4.07 -1.26 -4.91 120.64 116.32 2bfu n GLU 6 Ca 0.00 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.83 2bfu n GLU 6 Cb 0.00 0.00 0.15 0.00 -0.06 0.00 0.00 31.44 31.53 2bfu n GLU 6 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2bfu s ALA 7 N 0.00 2.89 0.00 4.31 0.00 -1.26 -5.07 121.76 122.63 2bfu s ALA 7 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.54 2bfu s ALA 7 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.68 2bfu s ALA 7 CO 0.00 -1.99 0.00 -1.13 0.00 0.00 0.00 175.76 172.64 2bfu n SER 8 N -3.35 0.00 0.00 0.00 3.41 -1.26 -5.18 113.62 107.24 2bfu n SER 8 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2bfu n SER 8 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2bfu n SER 8 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2bfu n ASP 9 N 0.00 0.00 -4.81 4.04 5.75 -1.26 -4.98 116.55 115.30 2bfu n ASP 9 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.45 2bfu n ASP 9 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 2bfu n ASP 9 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 2bfu s VAL 10 N 0.00 4.85 -0.08 2.12 -7.23 -1.26 -5.12 120.40 113.68 2bfu s VAL 10 Ca 0.00 -0.40 -0.04 0.00 -1.81 0.00 0.00 61.98 59.73 2bfu s VAL 10 Cb 0.00 -3.24 0.04 0.00 0.56 0.00 0.00 36.38 33.74 2bfu s VAL 10 CO 0.00 0.32 0.18 -0.31 -0.31 0.00 0.00 175.10 174.98 2bfu s TYR 11 N -1.25 -0.22 0.38 2.82 1.51 -1.26 -4.93 117.35 114.40 2bfu s TYR 11 Ca 0.25 0.61 0.08 0.00 -1.01 0.00 0.00 57.07 56.99 2bfu s TYR 11 Cb -0.12 -0.07 -0.04 0.00 -0.11 0.00 0.00 41.96 41.61 2bfu s TYR 11 CO 0.16 -0.21 0.18 0.45 -1.11 0.00 0.00 175.55 175.02 2bfu s SER 12 N 1.44 4.58 0.00 2.29 0.15 -1.26 -5.02 113.70 115.89 2bfu s SER 12 Ca -0.07 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.67 2bfu s SER 12 Cb -0.11 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 2bfu s SER 12 CO -0.07 -0.45 0.00 -2.65 1.20 0.00 0.00 173.24 171.28 2bfu n PRO 13 N -1.23 0.00 0.00 5.44 -0.02 -1.26 -0.53 135.00 137.41 2bfu n PRO 13 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2bfu n PRO 13 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 2bfu n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bfu n MET 15 N 0.00 3.10 -3.65 0.00 0.00 -1.26 -4.05 117.12 111.26 2bfu n MET 15 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.69 2bfu n MET 15 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.16 2bfu n MET 15 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 2bfu s ILE 16 N 1.46 0.00 0.34 3.17 1.10 -0.71 -4.42 121.20 122.14 2bfu s ILE 16 Ca 0.00 0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.20 2bfu s ILE 16 Cb 0.00 -1.00 -0.02 0.00 0.15 0.00 0.00 42.46 41.59 2bfu s ILE 16 CO 0.00 0.00 0.33 0.00 -2.11 0.00 0.00 174.94 173.16 2bfu n ALA 17 N 3.22 0.55 -3.12 1.50 0.00 -1.12 -3.37 120.51 118.17 2bfu n ALA 17 Ca -0.17 -1.94 -0.12 0.00 0.00 0.00 0.00 53.44 51.20 2bfu n ALA 17 Cb 0.57 1.57 -0.11 0.00 0.00 0.00 0.00 19.45 21.48 2bfu n ALA 17 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2bfu s SER 18 N -3.36 -0.13 -0.63 0.00 0.01 -1.20 0.16 113.70 108.55 2bfu s SER 18 Ca 0.39 0.15 -0.26 0.00 1.31 0.00 0.00 55.95 57.53 2bfu s SER 18 Cb 0.01 0.34 -0.03 0.00 0.21 0.00 0.00 66.02 66.55 2bfu s SER 18 CO 0.28 -0.24 1.93 -0.89 0.41 0.00 0.00 173.24 174.73 2bfu s THR 19 N -0.64 3.32 0.00 1.44 2.01 0.55 -4.59 115.64 117.73 2bfu s THR 19 Ca -0.07 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.05 2bfu s THR 19 Cb -0.04 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.62 2bfu s THR 19 CO 0.01 -0.82 0.00 -2.65 -0.69 0.00 0.00 174.62 170.48 2bfu n PRO 20 N 9.13 0.83 -0.82 4.92 -0.02 -1.26 -4.43 135.00 143.35 2bfu n PRO 20 Ca 0.24 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.57 2bfu n PRO 20 Cb 0.52 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 34.02 2bfu n PRO 20 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2bfu n PRO 21 N 0.00 -0.18 -2.70 0.52 -0.02 -1.26 -4.97 135.00 126.39 2bfu n PRO 21 Ca 0.00 -0.05 -0.06 0.00 -2.02 0.00 0.00 63.50 61.37 2bfu n PRO 21 Cb 0.00 -1.04 0.08 0.00 -0.02 0.00 0.00 33.50 32.51 2bfu n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bfu n ALA 22 N -3.30 -2.59 0.00 3.55 0.00 -1.26 -4.19 120.51 112.73 2bfu n ALA 22 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2bfu n ALA 22 Cb 0.30 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.31 2bfu n ALA 22 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2bfu n PRO 23 N 1.29 0.00 -0.84 0.00 -0.01 -1.26 -5.21 135.00 128.98 2bfu n PRO 23 Ca 0.03 0.00 0.07 0.00 -0.01 0.00 0.00 63.50 63.59 2bfu n PRO 23 Cb 0.69 0.00 -0.04 0.00 -0.01 0.00 0.00 33.50 34.14 2bfu n PRO 23 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 175.50 175.83 2bfu n PHE 24 N 0.04 -2.28 0.00 6.00 7.35 -1.26 -5.15 117.46 122.17 2bfu n PHE 24 Ca 0.00 1.25 0.00 0.00 -0.76 0.00 0.00 57.45 57.94 2bfu n PHE 24 Cb 0.00 -2.09 0.00 0.00 0.35 0.00 0.00 39.48 37.74 2bfu n PHE 24 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2bfu n SER 25 N -2.98 0.00 -4.78 -2.13 7.64 -1.26 -5.09 113.62 105.02 2bfu n SER 25 Ca -0.04 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.48 2bfu n SER 25 Cb 0.36 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.49 2bfu n SER 25 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2bfu s ASP 26 N 0.87 6.36 0.00 6.43 3.68 -1.26 -4.98 116.67 127.78 2bfu s ASP 26 Ca 0.00 0.43 0.00 0.00 2.13 0.00 0.00 52.55 55.11 2bfu s ASP 26 Cb 0.00 -2.12 0.00 0.00 -1.45 0.00 0.00 42.92 39.35 2bfu s ASP 26 CO 0.00 0.24 0.00 0.52 0.13 0.00 0.00 175.17 176.06 2bfu n VAL 27 N 2.92 0.00 0.00 1.11 0.31 -1.26 -4.99 118.33 116.42 2bfu n VAL 27 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2bfu n VAL 27 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 2bfu n VAL 27 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2bfu n THR 28 N 0.00 0.00 0.00 2.52 -1.04 0.07 -4.95 114.28 110.87 2bfu n THR 28 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2bfu n THR 28 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2bfu n THR 28 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bfu n ALA 29 N -3.00 0.00 -2.62 2.41 0.00 -1.24 -3.31 120.51 112.74 2bfu n ALA 29 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2bfu n ALA 29 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2bfu n ALA 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2bfu s VAL 30 N -1.18 4.90 -0.80 0.00 0.11 0.90 -4.86 120.40 119.47 2bfu s VAL 30 Ca 0.00 1.21 0.02 0.00 -2.93 0.00 0.00 61.98 60.28 2bfu s VAL 30 Cb 0.00 -4.04 0.20 0.00 -1.53 0.00 0.00 36.38 31.02 2bfu s VAL 30 CO 0.00 -0.08 0.66 1.07 -3.33 0.00 0.00 175.10 173.42 2bfu n THR 31 N 5.32 2.38 -3.14 5.04 5.66 -1.26 -1.31 114.28 126.96 2bfu n THR 31 Ca 0.02 -5.03 -0.20 0.00 -3.05 0.00 0.00 64.05 55.80 2bfu n THR 31 Cb 0.48 -2.26 0.03 0.00 -1.55 0.00 0.00 70.33 67.03 2bfu n THR 31 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2bfu s PHE 32 N -1.54 1.90 0.23 1.09 -0.00 -1.22 -3.27 117.98 115.17 2bfu s PHE 32 Ca 0.27 -0.63 -0.30 0.00 -0.00 0.00 0.00 56.93 56.27 2bfu s PHE 32 Cb -0.04 -2.23 -0.09 0.00 -0.00 0.00 0.00 43.02 40.67 2bfu s PHE 32 CO -0.14 -0.82 1.27 0.34 -0.00 0.00 0.00 175.22 175.87 2bfu s ASP 33 N -4.51 6.94 -0.86 1.98 2.15 -1.25 -2.88 116.67 118.25 2bfu s ASP 33 Ca 0.56 2.42 -0.03 0.00 0.43 0.00 0.00 52.55 55.93 2bfu s ASP 33 Cb -0.06 -2.62 0.24 0.00 -0.30 0.00 0.00 42.92 40.18 2bfu s ASP 33 CO 0.35 -0.46 2.21 -0.11 -0.17 0.00 0.00 175.17 176.99 2bfu n LEU 34 N 2.12 7.31 0.00 -1.34 7.94 0.45 -4.69 117.00 128.79 2bfu n LEU 34 Ca 0.04 -4.78 0.00 0.00 -1.11 0.00 0.00 56.01 50.16 2bfu n LEU 34 Cb 0.43 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.21 2bfu n LEU 34 CO 0.57 1.86 0.00 2.30 -1.11 0.00 0.00 177.39 181.01 2bfu n ILE 35 N 0.21 0.00 -4.03 1.96 -6.64 -1.26 -4.36 119.36 105.25 2bfu n ILE 35 Ca 0.52 0.00 -0.10 0.00 -1.77 0.00 0.00 62.75 61.41 2bfu n ILE 35 Cb 0.32 0.00 -0.06 0.00 -1.44 0.00 0.00 39.64 38.46 2bfu n ILE 35 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 2bfu s ASN 36 N 0.00 -0.01 1.99 7.28 6.03 -1.26 -3.31 114.94 125.66 2bfu s ASN 36 Ca 0.00 -1.02 0.00 0.00 -1.03 0.00 0.00 52.86 50.81 2bfu s ASN 36 Cb 0.00 0.56 0.00 0.00 -3.03 0.00 0.00 41.25 38.78 2bfu s ASN 36 CO 0.00 -1.11 0.00 0.61 -2.03 0.00 0.00 177.10 174.57 2bfu n GLY 37 N -0.38 4.23 3.60 0.45 0.00 -1.26 -4.29 105.19 107.53 2bfu n GLY 37 Ca -0.01 0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2bfu n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bfu s LYS 38 N 0.00 3.34 -0.11 1.61 -0.14 -1.26 -4.81 119.74 118.36 2bfu s LYS 38 Ca 0.00 1.24 0.16 0.00 -1.36 0.00 0.00 55.97 56.01 2bfu s LYS 38 Cb 0.00 -4.17 0.57 0.00 -1.68 0.00 0.00 37.83 32.55 2bfu s LYS 38 CO 0.00 -1.86 1.48 0.44 -0.76 0.00 0.00 175.35 174.66 2bfu n ILE 39 N 7.32 1.83 -4.44 2.17 -6.64 -1.26 -4.35 119.36 113.99 2bfu n ILE 39 Ca 0.21 -1.38 -0.25 0.00 -1.77 0.00 0.00 62.75 59.56 2bfu n ILE 39 Cb 0.47 0.08 -0.10 0.00 -1.44 0.00 0.00 39.64 38.65 2bfu n ILE 39 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 2bfu s THR 40 N -2.00 2.50 0.00 7.28 2.01 -1.26 -3.84 115.64 120.33 2bfu s THR 40 Ca 0.42 -2.22 0.00 0.00 0.31 0.00 0.00 61.69 60.19 2bfu s THR 40 Cb 0.29 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.53 2bfu s THR 40 CO 0.17 -0.28 0.00 -0.81 -0.69 0.00 0.00 174.62 173.01 2bfu n PRO 41 N -0.28 1.95 -4.05 4.92 -0.04 -1.20 -4.50 135.00 131.79 2bfu n PRO 41 Ca -0.08 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.26 2bfu n PRO 41 Cb 0.58 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.93 2bfu n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2bfu s VAL 42 N 0.00 0.44 0.00 0.52 -7.23 -1.26 -4.99 120.40 107.88 2bfu s VAL 42 Ca 0.00 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 2bfu s VAL 42 Cb 0.00 -0.52 0.00 0.00 0.56 0.00 0.00 36.38 36.42 2bfu s VAL 42 CO 0.00 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.02 2bfu n GLY 43 N 1.56 0.78 3.48 2.32 0.00 -1.26 -4.66 105.19 107.42 2bfu n GLY 43 Ca -0.23 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 2bfu n GLY 43 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bfu n ASP 44 N 2.02 4.98 0.00 1.61 5.75 -1.26 -4.79 116.55 124.85 2bfu n ASP 44 Ca 0.00 -2.94 0.00 0.00 -0.01 0.00 0.00 54.79 51.84 2bfu n ASP 44 Cb 0.00 -1.68 0.00 0.00 -1.03 0.00 0.00 41.12 38.41 2bfu n ASP 44 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2bfu n ASP 45 N 7.30 0.00 -2.16 -1.12 8.00 -1.26 -4.86 116.55 122.46 2bfu n ASP 45 Ca 0.45 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.83 2bfu n ASP 45 Cb 0.44 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.52 2bfu n ASP 45 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2bfu n ASN 46 N 0.00 -3.75 0.12 -2.24 2.85 -1.26 -4.84 115.26 106.13 2bfu n ASN 46 Ca 0.00 0.22 0.06 0.00 -0.11 0.00 0.00 54.58 54.75 2bfu n ASN 46 Cb 0.00 -3.27 0.02 0.00 1.24 0.00 0.00 39.78 37.77 2bfu n ASN 46 CO 0.00 0.00 0.00 -0.50 -2.11 0.00 0.00 177.26 174.65 2bfu h TRP 47 N 0.00 0.00 -3.93 1.20 4.06 -1.89 -3.46 115.95 111.93 2bfu h TRP 47 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 2bfu h TRP 47 Cb 1.11 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.24 2bfu h TRP 47 CO 0.61 0.30 -0.59 -1.71 -3.56 0.00 0.00 178.44 173.49 2bfu n ASN 48 N -2.97 -2.99 -4.56 -3.49 5.15 -1.26 -3.21 115.26 101.93 2bfu n ASN 48 Ca -0.01 0.63 -0.31 0.00 -0.60 0.00 0.00 54.58 54.29 2bfu n ASN 48 Cb 0.68 -2.96 -0.04 0.00 -0.53 0.00 0.00 39.78 36.92 2bfu n ASN 48 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2bfu s THR 49 N -0.52 3.59 -1.03 -0.44 -4.23 -1.26 -4.60 115.64 107.15 2bfu s THR 49 Ca -0.07 -0.50 -0.23 0.00 -1.18 0.00 0.00 61.69 59.72 2bfu s THR 49 Cb 0.00 -4.33 0.00 0.00 1.34 0.00 0.00 72.50 69.52 2bfu s THR 49 CO 0.36 -1.25 1.71 -2.28 -0.54 0.00 0.00 174.62 172.62 2bfu s HIS 50 N 8.54 2.25 0.01 3.99 2.46 -1.22 -4.93 115.29 126.40 2bfu s HIS 50 Ca 0.63 -0.28 -0.30 0.00 0.47 0.00 0.00 55.06 55.57 2bfu s HIS 50 Cb -0.05 -4.40 -0.05 0.00 -0.13 0.00 0.00 32.58 27.95 2bfu s HIS 50 CO -0.03 -1.78 1.37 0.42 -2.47 0.00 0.00 174.74 172.25 2bfu s ILE 51 N 7.31 3.75 0.22 0.89 1.01 -1.26 -1.75 121.20 131.37 2bfu s ILE 51 Ca 0.58 1.15 0.06 0.00 0.00 0.00 0.00 60.65 62.44 2bfu s ILE 51 Cb -0.02 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 2bfu s ILE 51 CO -0.02 0.01 0.20 -0.31 0.00 0.00 0.00 174.94 174.82 2bfu s TYR 52 N 2.21 3.17 -0.93 3.97 2.02 -1.26 -4.59 117.35 121.95 2bfu s TYR 52 Ca 0.63 -0.06 -0.00 0.00 -0.37 0.00 0.00 57.07 57.26 2bfu s TYR 52 Cb -0.31 -1.46 0.31 0.00 -0.40 0.00 0.00 41.96 40.09 2bfu s TYR 52 CO 0.26 0.51 1.41 0.27 -1.57 0.00 0.00 175.55 176.44 2bfu n ASN 53 N -0.93 6.07 -4.67 2.29 6.94 -1.26 -4.48 115.26 119.20 2bfu n ASN 53 Ca -0.08 -3.54 -0.32 0.00 -0.02 0.00 0.00 54.58 50.62 2bfu n ASN 53 Cb 0.57 -1.05 0.15 0.00 -2.36 0.00 0.00 39.78 37.08 2bfu n ASN 53 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 2bfu n PRO 54 N 0.60 -0.19 0.00 -0.53 -0.02 -1.26 -4.78 135.00 128.82 2bfu n PRO 54 Ca 0.34 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2bfu n PRO 54 Cb 0.33 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2bfu n PRO 54 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2bfu n PRO 55 N -3.78 0.00 0.11 0.52 -0.04 -1.26 -0.08 135.00 130.46 2bfu n PRO 55 Ca 0.13 0.19 0.10 0.00 -0.04 0.00 0.00 63.50 63.87 2bfu n PRO 55 Cb 0.51 -1.17 0.44 0.00 -0.04 0.00 0.00 33.50 33.24 2bfu n PRO 55 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2bfu n ILE 56 N -1.03 1.04 -0.09 0.52 -6.64 -1.26 -2.89 119.36 109.01 2bfu n ILE 56 Ca 0.00 0.41 -0.16 0.00 -1.77 0.00 0.00 62.75 61.22 2bfu n ILE 56 Cb 0.00 -1.34 -0.10 0.00 -1.44 0.00 0.00 39.64 36.76 2bfu n ILE 56 CO 0.00 0.00 0.00 -0.03 -1.77 0.00 0.00 176.55 174.75 2bfu h MET 57 N 0.00 0.00 0.00 6.28 -1.53 -1.79 -1.51 114.93 116.37 2bfu h MET 57 Ca 0.00 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.23 2bfu h MET 57 Cb 0.20 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.25 2bfu h MET 57 CO 0.00 0.85 -0.13 -0.97 0.14 0.00 0.00 176.91 176.80 2bfu h ASN 58 N -1.00 0.00 -0.94 1.39 -1.24 -0.57 1.31 115.58 114.52 2bfu h ASN 58 Ca -0.18 0.00 0.14 0.00 0.71 0.00 0.00 56.30 56.97 2bfu h ASN 58 Cb 1.05 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 40.02 2bfu h ASN 58 CO -0.11 0.13 0.60 0.58 -1.29 0.00 0.00 177.43 177.34 2bfu h VAL 59 N 0.00 0.85 0.68 2.57 2.07 -1.50 2.60 116.25 123.51 2bfu h VAL 59 Ca -0.00 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2bfu h VAL 59 Cb 0.34 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2bfu h VAL 59 CO 0.02 0.15 -0.33 -0.07 0.02 0.00 0.00 177.57 177.36 2bfu h LEU 60 N 0.80 -0.78 -1.73 2.57 3.38 0.26 -0.46 115.31 119.35 2bfu h LEU 60 Ca 0.48 0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.73 2bfu h LEU 60 Cb 0.66 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 2bfu h LEU 60 CO -0.24 -0.51 0.70 0.03 0.09 0.00 0.00 178.44 178.51 2bfu h ARG 61 N -0.99 0.18 -1.52 1.13 3.08 0.20 0.34 114.38 116.79 2bfu h ARG 61 Ca -0.09 -0.01 -0.60 0.00 0.07 0.00 0.00 59.98 59.34 2bfu h ARG 61 Cb 0.72 -0.04 -0.41 0.00 0.08 0.00 0.00 29.97 30.32 2bfu h ARG 61 CO 0.15 0.12 -0.60 0.25 -1.07 0.00 0.00 179.97 178.82 2bfu n THR 62 N -4.39 2.47 -3.65 2.04 -2.24 0.85 -4.23 114.28 105.13 2bfu n THR 62 Ca 0.23 -4.85 -0.29 0.00 -2.27 0.00 0.00 64.05 56.86 2bfu n THR 62 Cb 0.97 -1.26 -0.13 0.00 -2.10 0.00 0.00 70.33 67.81 2bfu n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bfu s ALA 63 N -3.58 1.87 0.00 6.98 0.00 0.12 -3.52 121.76 123.62 2bfu s ALA 63 Ca 0.49 -2.44 0.00 0.00 0.00 0.00 0.00 51.96 50.01 2bfu s ALA 63 Cb 0.40 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.71 2bfu s ALA 63 CO -0.19 -2.07 0.27 0.00 0.00 0.00 0.00 175.76 173.76 2bfu n ALA 64 N 3.61 0.00 -2.06 0.00 0.00 -1.23 -4.40 120.51 116.44 2bfu n ALA 64 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 2bfu n ALA 64 Cb 0.36 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 2bfu n ALA 64 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2bfu s TRP 65 N -0.54 2.87 -0.34 0.00 0.52 -1.26 -4.56 118.94 115.64 2bfu s TRP 65 Ca 0.00 0.66 -0.01 0.00 0.02 0.00 0.00 56.10 56.77 2bfu s TRP 65 Cb 0.00 -3.82 0.11 0.00 -1.15 0.00 0.00 33.47 28.62 2bfu s TRP 65 CO 0.00 -3.07 0.15 0.15 0.02 0.00 0.00 176.95 174.20 2bfu s LYS 66 N 1.86 0.69 -0.21 4.98 1.02 -1.17 -2.49 119.74 124.42 2bfu s LYS 66 Ca 0.68 -1.20 0.01 0.00 0.02 0.00 0.00 55.97 55.49 2bfu s LYS 66 Cb -0.38 -1.76 0.03 0.00 -0.52 0.00 0.00 37.83 35.20 2bfu s LYS 66 CO 0.30 -1.07 -0.15 0.45 -0.92 0.00 0.00 175.35 173.96 2bfu s SER 67 N 1.36 3.68 0.00 2.83 0.15 -1.25 -4.39 113.70 116.07 2bfu s SER 67 Ca 0.13 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.91 2bfu s SER 67 Cb -0.20 -1.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 2bfu s SER 67 CO -0.18 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2bfu n GLY 68 N 4.58 3.57 3.38 9.45 0.00 -1.22 0.13 105.19 125.09 2bfu n GLY 68 Ca -0.18 -0.29 -0.45 0.00 0.00 0.00 0.00 46.02 45.10 2bfu n GLY 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2bfu n THR 69 N 0.00 1.47 -3.91 2.61 -1.04 -1.26 -4.67 114.28 107.48 2bfu n THR 69 Ca 0.00 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.41 2bfu n THR 69 Cb 0.00 -0.15 -0.11 0.00 -1.82 0.00 0.00 70.33 68.25 2bfu n THR 69 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2bfu s ILE 70 N -1.32 0.08 -0.54 12.58 1.01 -1.19 -0.97 121.20 130.84 2bfu s ILE 70 Ca 0.62 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.66 2bfu s ILE 70 Cb -0.76 -0.32 0.22 0.00 0.01 0.00 0.00 42.46 41.62 2bfu s ILE 70 CO 0.59 -0.37 0.57 1.41 0.00 0.00 0.00 174.94 177.14 2bfu n HIS 71 N 1.76 1.67 -1.27 3.97 8.25 -1.23 -3.60 115.22 124.76 2bfu n HIS 71 Ca -0.22 -3.88 -0.34 0.00 -0.26 0.00 0.00 57.72 53.02 2bfu n HIS 71 Cb 0.56 -0.38 0.11 0.00 1.12 0.00 0.00 29.99 31.40 2bfu n HIS 71 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2bfu s VAL 72 N -1.50 2.04 0.29 1.59 1.01 -1.10 -4.32 120.40 118.41 2bfu s VAL 72 Ca 0.34 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.15 2bfu s VAL 72 Cb 0.10 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.93 2bfu s VAL 72 CO -0.10 -0.01 0.69 0.00 0.00 0.00 0.00 175.10 175.67 2bfu s GLN 73 N -3.95 1.80 0.10 2.72 1.03 -1.03 -0.32 119.66 120.01 2bfu s GLN 73 Ca 0.76 -1.08 -0.05 0.00 0.04 0.00 0.00 55.36 55.02 2bfu s GLN 73 Cb -0.31 0.59 -0.02 0.00 0.03 0.00 0.00 33.01 33.30 2bfu s GLN 73 CO 0.48 -0.81 0.12 -1.17 -2.54 0.00 0.00 175.29 171.37 2bfu s LEU 74 N -2.95 1.69 -0.19 2.60 0.20 -0.75 -2.69 118.68 116.58 2bfu s LEU 74 Ca 0.13 -0.90 -0.30 0.00 0.69 0.00 0.00 54.13 53.75 2bfu s LEU 74 Cb -0.05 0.69 0.15 0.00 -0.43 0.00 0.00 46.19 46.55 2bfu s LEU 74 CO 0.08 -0.73 1.13 0.21 -0.29 0.00 0.00 176.35 176.75 2bfu s ASN 75 N -2.93 -0.24 0.23 3.68 3.84 -1.21 -0.83 114.94 117.48 2bfu s ASN 75 Ca 0.12 0.22 0.10 0.00 0.21 0.00 0.00 52.86 53.51 2bfu s ASN 75 Cb 0.06 0.21 -0.05 0.00 -0.55 0.00 0.00 41.25 40.92 2bfu s ASN 75 CO -0.06 -0.25 -0.19 0.68 -2.79 0.00 0.00 177.10 174.49 2bfu s VAL 76 N -1.35 2.17 -0.04 -5.21 -7.23 -1.16 -0.79 120.40 106.79 2bfu s VAL 76 Ca 0.03 -2.20 0.06 0.00 -1.81 0.00 0.00 61.98 58.06 2bfu s VAL 76 Cb -0.01 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.80 2bfu s VAL 76 CO -0.03 -0.37 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.03 2bfu s ARG 77 N -3.24 2.09 0.00 4.82 0.52 -0.37 -0.69 118.95 122.08 2bfu s ARG 77 Ca 0.24 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.64 2bfu s ARG 77 Cb -0.05 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.54 2bfu s ARG 77 CO 0.11 0.41 0.00 0.41 0.02 0.00 0.00 175.30 176.24 2bfu n GLY 78 N 2.79 3.88 0.00 -3.53 0.00 -1.26 0.21 105.19 107.28 2bfu n GLY 78 Ca -0.17 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2bfu n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bfu n ALA 79 N -3.00 0.00 -1.89 4.61 0.00 -1.26 -4.59 120.51 114.38 2bfu n ALA 79 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2bfu n ALA 79 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2bfu n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bfu n GLY 80 N 0.00 4.76 2.95 0.00 0.00 -1.26 -4.76 105.19 106.88 2bfu n GLY 80 Ca 0.00 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 2bfu n GLY 80 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bfu s VAL 81 N 0.65 2.75 0.04 1.61 -7.23 -1.26 -5.08 120.40 111.88 2bfu s VAL 81 Ca 0.53 -3.56 -0.13 0.00 -1.81 0.00 0.00 61.98 57.01 2bfu s VAL 81 Cb 0.15 -2.87 -0.07 0.00 0.56 0.00 0.00 36.38 34.15 2bfu s VAL 81 CO -0.06 -0.86 0.30 0.29 -0.31 0.00 0.00 175.10 174.46 2bfu n LYS 82 N 2.82 0.00 -0.13 4.82 4.76 -1.24 -4.23 118.16 124.96 2bfu n LYS 82 Ca 0.09 0.00 0.20 0.00 -2.87 0.00 0.00 58.31 55.73 2bfu n LYS 82 Cb 0.33 -0.47 0.31 0.00 -1.84 0.00 0.00 35.03 33.36 2bfu n LYS 82 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2bfu n ARG 83 N 0.47 0.01 -0.10 1.97 5.12 -1.26 0.20 116.66 123.07 2bfu n ARG 83 Ca 0.07 0.79 -0.16 0.00 -1.93 0.00 0.00 57.85 56.63 2bfu n ARG 83 Cb 0.06 -1.99 -0.13 0.00 -1.16 0.00 0.00 32.46 29.24 2bfu n ARG 83 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bfu n ALA 84 N -1.97 1.38 -1.23 7.54 0.00 -1.26 -3.99 120.51 120.99 2bfu n ALA 84 Ca 0.17 -1.07 -0.20 0.00 0.00 0.00 0.00 53.44 52.34 2bfu n ALA 84 Cb 1.17 -0.25 -0.08 0.00 0.00 0.00 0.00 19.45 20.28 2bfu n ALA 84 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2bfu n ASP 85 N -3.15 6.04 -4.16 0.00 10.43 0.54 -4.85 116.55 121.41 2bfu n ASP 85 Ca -0.39 -2.93 -0.11 0.00 2.57 0.00 0.00 54.79 53.93 2bfu n ASP 85 Cb 1.05 -1.27 -0.09 0.00 1.84 0.00 0.00 41.12 42.65 2bfu n ASP 85 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 2bfu s TRP 86 N -0.81 1.00 0.00 1.24 -0.11 -0.32 -3.68 118.94 116.26 2bfu s TRP 86 Ca 0.56 -1.25 0.00 0.00 1.22 0.00 0.00 56.10 56.62 2bfu s TRP 86 Cb 0.33 -0.42 0.00 0.00 -1.50 0.00 0.00 33.47 31.88 2bfu s TRP 86 CO -0.12 -0.70 0.00 -3.47 -4.62 0.00 0.00 176.95 168.04 2bfu n ASP 87 N -0.28 0.00 -3.42 5.86 -0.08 -1.26 -5.05 116.55 112.32 2bfu n ASP 87 Ca 0.01 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.02 2bfu n ASP 87 Cb 0.65 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 44.02 2bfu n ASP 87 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bfu n GLY 88 N 0.00 2.58 2.86 0.27 0.00 -0.81 -4.93 105.19 105.16 2bfu n GLY 88 Ca 0.00 -1.56 -0.24 0.00 0.00 0.00 0.00 46.02 44.23 2bfu n GLY 88 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2bfu n GLN 89 N 2.40 -2.19 0.00 1.61 7.27 -1.06 -2.90 117.38 122.51 2bfu n GLN 89 Ca 0.27 -1.46 0.00 0.00 0.07 0.00 0.00 57.00 55.88 2bfu n GLN 89 Cb 0.47 -1.23 0.00 0.00 2.41 0.00 0.00 30.24 31.89 2bfu n GLN 89 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2bfu n VAL 90 N -4.09 0.00 -3.15 1.69 0.31 -1.26 -4.65 118.33 107.17 2bfu n VAL 90 Ca 0.12 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.49 2bfu n VAL 90 Cb 0.46 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.38 2bfu n VAL 90 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 2bfu s PHE 91 N -2.00 -1.60 0.79 3.52 -0.12 -1.24 -3.90 117.98 113.43 2bfu s PHE 91 Ca 0.00 1.71 -0.14 0.00 -0.05 0.00 0.00 56.93 58.45 2bfu s PHE 91 Cb 0.00 0.57 0.06 0.00 -0.63 0.00 0.00 43.02 43.01 2bfu s PHE 91 CO 0.00 -0.87 1.09 0.28 -0.05 0.00 0.00 175.22 175.67 2bfu n VAL 92 N 5.43 2.20 -2.73 -2.49 0.31 0.30 -4.51 118.33 116.84 2bfu n VAL 92 Ca -0.01 -0.26 -0.08 0.00 -0.01 0.00 0.00 64.34 63.98 2bfu n VAL 92 Cb 0.51 -1.14 0.10 0.00 -0.91 0.00 0.00 33.84 32.39 2bfu n VAL 92 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2bfu n TYR 93 N -3.06 -2.07 -2.22 3.52 4.01 -1.17 -1.62 117.16 114.54 2bfu n TYR 93 Ca 0.13 -2.16 -0.40 0.00 -0.16 0.00 0.00 57.90 55.31 2bfu n TYR 93 Cb 0.50 1.31 -0.02 0.00 -0.31 0.00 0.00 39.34 40.82 2bfu n TYR 93 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 2bfu s LEU 94 N -2.91 4.34 0.00 7.72 2.34 -1.02 -3.60 118.68 125.56 2bfu s LEU 94 Ca 0.23 2.50 0.00 0.00 0.06 0.00 0.00 54.13 56.93 2bfu s LEU 94 Cb 0.37 -3.80 0.00 0.00 -0.56 0.00 0.00 46.19 42.20 2bfu s LEU 94 CO -0.07 -0.56 0.00 -2.11 -1.06 0.00 0.00 176.35 172.56 2bfu n ARG 95 N 0.54 0.00 -0.39 1.48 1.85 -1.12 0.20 116.66 119.23 2bfu n ARG 95 Ca 0.02 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.95 2bfu n ARG 95 Cb 0.44 0.00 0.23 0.00 -1.05 0.00 0.00 32.46 32.08 2bfu n ARG 95 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2bfu n GLN 96 N 0.00 2.51 0.00 2.89 3.00 -1.19 -1.47 117.38 123.12 2bfu n GLN 96 Ca 0.00 -2.81 0.00 0.00 -0.01 0.00 0.00 57.00 54.18 2bfu n GLN 96 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 30.24 28.47 2bfu n GLN 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2bfu n SER 97 N -0.75 0.00 -0.89 1.08 2.88 -1.24 -0.03 113.62 114.67 2bfu n SER 97 Ca 0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 2bfu n SER 97 Cb 0.85 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 2bfu n SER 97 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2bfu n MET 98 N 0.00 -1.43 0.00 -1.46 2.81 -1.26 -5.08 117.12 110.71 2bfu n MET 98 Ca 0.00 1.38 0.00 0.00 -1.81 0.00 0.00 57.70 57.27 2bfu n MET 98 Cb 0.00 -1.09 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 2bfu n MET 98 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2bfu n ASN 99 N 0.47 0.00 -0.30 7.83 0.23 -1.26 -4.98 115.26 117.25 2bfu n ASN 99 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2bfu n ASN 99 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2bfu n ASN 99 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 2bfu n PRO 100 N -0.02 0.08 0.00 -0.53 -0.02 -1.26 -3.81 135.00 129.44 2bfu n PRO 100 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2bfu n PRO 100 Cb 0.00 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 2bfu n PRO 100 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2bfu n GLU 101 N 0.08 0.00 0.00 -0.52 2.13 -1.26 -5.13 120.64 115.93 2bfu n GLU 101 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2bfu n GLU 101 Cb 0.01 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.72 2bfu n GLU 101 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2bfu n SER 102 N 0.00 0.00 -3.18 4.31 2.88 -1.25 -4.95 113.62 111.44 2bfu n SER 102 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 2bfu n SER 102 Cb 0.00 -0.05 -0.02 0.00 -0.75 0.00 0.00 64.21 63.39 2bfu n SER 102 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2bfu s TYR 103 N -0.11 -0.82 0.23 0.66 1.51 -1.26 -4.91 117.35 112.65 2bfu s TYR 103 Ca 0.00 0.92 -0.32 0.00 -1.01 0.00 0.00 57.07 56.67 2bfu s TYR 103 Cb 0.00 0.31 -0.12 0.00 -0.11 0.00 0.00 41.96 42.04 2bfu s TYR 103 CO 0.00 -0.45 1.68 -0.40 -1.11 0.00 0.00 175.55 175.27 2bfu n ASP 104 N 5.42 3.90 0.00 2.29 5.75 -1.26 -4.89 116.55 127.76 2bfu n ASP 104 Ca -0.06 1.09 0.00 0.00 -0.01 0.00 0.00 54.79 55.81 2bfu n ASP 104 Cb 0.53 -1.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.05 2bfu n ASP 104 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bfu n ALA 105 N 3.37 -0.09 -2.62 2.12 0.00 -1.09 -4.84 120.51 117.37 2bfu n ALA 105 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.29 2bfu n ALA 105 Cb 0.35 0.29 -0.08 0.00 0.00 0.00 0.00 19.45 20.00 2bfu n ALA 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2bfu s ARG 106 N -2.20 2.11 0.29 0.00 6.06 0.13 -4.96 118.95 120.37 2bfu s ARG 106 Ca 0.00 -2.15 0.04 0.00 -2.50 0.00 0.00 55.73 51.12 2bfu s ARG 106 Cb 0.00 -1.70 -0.04 0.00 0.06 0.00 0.00 34.95 33.27 2bfu s ARG 106 CO 0.00 -0.21 0.19 0.99 -2.50 0.00 0.00 175.30 173.78 2bfu s THR 107 N -2.75 0.15 -0.29 4.11 2.01 -1.25 -2.45 115.64 115.17 2bfu s THR 107 Ca 0.26 -2.00 -0.24 0.00 0.31 0.00 0.00 61.69 60.03 2bfu s THR 107 Cb 0.05 -2.50 0.17 0.00 0.01 0.00 0.00 72.50 70.23 2bfu s THR 107 CO 0.14 0.00 1.28 -0.36 -0.69 0.00 0.00 174.62 174.99 2bfu s PHE 108 N -3.67 -0.21 0.27 4.92 0.08 -0.64 -4.74 117.98 113.99 2bfu s PHE 108 Ca 0.38 0.49 -0.04 0.00 0.12 0.00 0.00 56.93 57.88 2bfu s PHE 108 Cb 0.04 0.40 0.06 0.00 -0.57 0.00 0.00 43.02 42.96 2bfu s PHE 108 CO 0.20 -0.10 0.13 1.55 -0.10 0.00 0.00 175.22 176.90 2bfu n VAL 109 N 2.00 0.00 0.00 -0.44 3.14 -1.26 0.11 118.33 121.88 2bfu n VAL 109 Ca -0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 2bfu n VAL 109 Cb 0.57 -0.15 0.00 0.00 -1.06 0.00 0.00 33.84 33.19 2bfu n VAL 109 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2bfu n ILE 110 N -3.17 0.00 0.00 1.55 3.06 -1.25 -4.24 119.36 115.31 2bfu n ILE 110 Ca 0.02 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.27 2bfu n ILE 110 Cb 0.09 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.27 2bfu n ILE 110 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 2bfu n SER 111 N 0.00 0.00 -3.66 9.51 2.88 -1.25 -4.86 113.62 116.24 2bfu n SER 111 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 2bfu n SER 111 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2bfu n SER 111 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bfu n GLN 112 N -1.62 0.99 0.00 -1.46 -0.00 -1.14 -1.92 117.38 112.23 2bfu n GLN 112 Ca 0.00 -1.98 0.00 0.00 -0.00 0.00 0.00 57.00 55.02 2bfu n GLN 112 Cb 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 30.24 30.41 2bfu n GLN 112 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 2bfu n PRO 113 N -1.31 0.00 0.00 2.61 -0.02 -1.26 -3.91 135.00 131.11 2bfu n PRO 113 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2bfu n PRO 113 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.84 2bfu n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bfu n GLY 114 N 0.00 -0.93 3.58 -1.23 0.00 -1.26 -4.52 105.19 100.83 2bfu n GLY 114 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2bfu n GLY 114 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bfu s SER 115 N -2.07 5.82 -0.30 1.61 0.15 0.13 -3.01 113.70 116.04 2bfu s SER 115 Ca 0.00 -1.92 0.02 0.00 0.70 0.00 0.00 55.95 54.75 2bfu s SER 115 Cb 0.00 -2.58 0.09 0.00 -1.71 0.00 0.00 66.02 61.81 2bfu s SER 115 CO 0.00 -2.23 0.03 0.00 1.20 0.00 0.00 173.24 172.24 2bfu s ALA 116 N 8.00 2.21 0.91 5.45 0.00 -1.25 -4.83 121.76 132.25 2bfu s ALA 116 Ca 0.62 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.67 2bfu s ALA 116 Cb 0.01 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2bfu s ALA 116 CO 0.09 -1.52 0.00 0.00 0.00 0.00 0.00 175.76 174.33 2bfu n MET 117 N 4.56 1.19 0.00 0.00 0.00 -1.25 -3.29 117.12 118.33 2bfu n MET 117 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.67 2bfu n MET 117 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.65 2bfu n MET 117 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 2bfu n LEU 118 N 0.00 0.00 -3.57 3.17 -0.00 -0.01 -4.72 117.00 111.87 2bfu n LEU 118 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.00 2bfu n LEU 118 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 2bfu n LEU 118 CO 0.00 0.00 0.45 0.20 -0.00 0.00 0.00 177.39 178.04 2bfu s ASN 119 N 0.00 -0.83 0.00 1.45 0.01 -1.26 -1.82 114.94 112.50 2bfu s ASN 119 Ca 0.00 1.19 0.00 0.00 -0.71 0.00 0.00 52.86 53.34 2bfu s ASN 119 Cb 0.00 1.78 0.00 0.00 0.41 0.00 0.00 41.25 43.44 2bfu s ASN 119 CO 0.00 -0.17 0.00 2.22 -1.51 0.00 0.00 177.10 177.64 2bfu n PHE 120 N 4.84 0.00 -3.53 2.20 -1.74 0.56 -4.98 117.46 114.80 2bfu n PHE 120 Ca -0.13 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.59 2bfu n PHE 120 Cb 0.53 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.47 2bfu n PHE 120 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 2bfu s SER 121 N 1.87 -0.63 -0.31 5.98 0.01 -1.26 -2.73 113.70 116.63 2bfu s SER 121 Ca 0.00 0.72 0.02 0.00 1.31 0.00 0.00 55.95 58.00 2bfu s SER 121 Cb 0.00 0.56 0.08 0.00 0.21 0.00 0.00 66.02 66.86 2bfu s SER 121 CO 0.00 -0.57 -0.01 0.72 0.41 0.00 0.00 173.24 173.79 2bfu s PHE 122 N -1.11 3.47 -0.40 2.43 -0.00 -1.24 -5.02 117.98 116.11 2bfu s PHE 122 Ca -0.10 -2.50 -0.27 0.00 -0.00 0.00 0.00 56.93 54.06 2bfu s PHE 122 Cb -0.00 -2.41 -0.07 0.00 -0.00 0.00 0.00 43.02 40.54 2bfu s PHE 122 CO 0.09 -0.90 2.35 -3.47 -0.00 0.00 0.00 175.22 173.28 2bfu n ASP 123 N 4.41 2.61 -4.73 1.98 4.64 -1.26 -4.49 116.55 119.72 2bfu n ASP 123 Ca -0.07 -0.19 -0.29 0.00 -1.38 0.00 0.00 54.79 52.86 2bfu n ASP 123 Cb 0.42 -1.55 0.14 0.00 -1.04 0.00 0.00 41.12 39.10 2bfu n ASP 123 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2bfu s ILE 124 N 10.52 2.37 0.00 5.18 1.01 -1.26 -5.03 121.20 133.98 2bfu s ILE 124 Ca 1.01 0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.78 2bfu s ILE 124 Cb -0.29 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.48 2bfu s ILE 124 CO 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 174.94 175.09 2bfu n ILE 125 N -3.91 0.00 0.00 2.92 0.13 -1.26 -4.69 119.36 112.56 2bfu n ILE 125 Ca 0.06 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.71 2bfu n ILE 125 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.37 2bfu n ILE 125 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2bfu n GLY 126 N 0.00 0.25 0.00 4.50 0.00 0.20 -3.17 105.19 106.97 2bfu n GLY 126 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2bfu n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bfu n PRO 127 N -0.12 0.00 -1.65 1.61 -0.04 0.13 -3.28 135.00 131.65 2bfu n PRO 127 Ca 0.00 0.01 -0.45 0.00 -0.04 0.00 0.00 63.50 63.02 2bfu n PRO 127 Cb 0.00 -0.25 -0.03 0.00 -0.04 0.00 0.00 33.50 33.19 2bfu n PRO 127 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2bfu n ASN 128 N -1.13 2.34 -4.15 3.54 5.15 -1.13 0.37 115.26 120.24 2bfu n ASN 128 Ca 0.00 1.15 -0.32 0.00 -0.60 0.00 0.00 54.58 54.81 2bfu n ASN 128 Cb 0.00 -1.37 -0.07 0.00 -0.53 0.00 0.00 39.78 37.81 2bfu n ASN 128 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2bfu n SER 129 N 1.96 -0.23 0.00 1.20 7.64 -1.26 -0.50 113.62 122.43 2bfu n SER 129 Ca 0.12 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.81 2bfu n SER 129 Cb 0.30 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.04 2bfu n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bfu n GLY 130 N -2.36 0.00 3.38 0.23 0.00 0.16 -4.91 105.19 101.69 2bfu n GLY 130 Ca -0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 2bfu n GLY 130 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bfu s PHE 131 N -0.57 2.00 0.00 1.61 2.99 0.35 0.58 117.98 124.93 2bfu s PHE 131 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 56.93 56.50 2bfu s PHE 131 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 43.02 42.05 2bfu s PHE 131 CO 0.00 0.43 0.00 -0.85 -0.00 0.00 0.00 175.22 174.80 2bfu n GLU 132 N 0.08 1.55 0.00 0.44 0.28 -1.19 0.18 120.64 121.99 2bfu n GLU 132 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 2bfu n GLU 132 Cb 0.58 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.45 2bfu n GLU 132 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2bfu n PHE 133 N 0.00 0.00 0.00 -1.84 7.35 -1.26 -3.01 117.46 118.69 2bfu n PHE 133 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2bfu n PHE 133 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2bfu n PHE 133 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2bfu n ALA 134 N -0.26 0.00 -2.63 3.13 0.00 -1.26 -1.63 120.51 117.87 2bfu n ALA 134 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2bfu n ALA 134 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2bfu n ALA 134 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2bfu n GLU 135 N 0.00 -0.54 -3.03 0.00 4.71 -1.23 -4.80 120.64 115.76 2bfu n GLU 135 Ca 0.00 -0.27 -0.42 0.00 -0.01 0.00 0.00 57.16 56.46 2bfu n GLU 135 Cb 0.00 0.48 -0.06 0.00 -1.01 0.00 0.00 31.44 30.85 2bfu n GLU 135 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2bfu s SER 136 N -3.11 6.45 0.00 1.62 0.01 -0.64 -4.82 113.70 113.21 2bfu s SER 136 Ca 0.00 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.37 2bfu s SER 136 Cb 0.00 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.87 2bfu s SER 136 CO 0.00 -0.73 0.14 -2.65 0.41 0.00 0.00 173.24 170.42 2bfu n PRO 137 N 6.33 0.00 -2.81 12.44 -0.02 -1.26 -4.37 135.00 145.32 2bfu n PRO 137 Ca 0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.06 2bfu n PRO 137 Cb 0.48 -1.04 -0.04 0.00 -0.02 0.00 0.00 33.50 32.89 2bfu n PRO 137 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 2bfu s TRP 138 N -0.88 2.63 0.00 6.00 -0.00 -1.26 -4.27 118.94 121.16 2bfu s TRP 138 Ca 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 56.10 55.71 2bfu s TRP 138 Cb 0.00 -4.31 0.00 0.00 -0.00 0.00 0.00 33.47 29.16 2bfu s TRP 138 CO 0.00 -1.67 0.00 0.00 -0.00 0.00 0.00 176.95 175.28 2bfu n ALA 139 N 7.94 0.00 0.00 5.86 0.00 -1.26 -4.76 120.51 128.28 2bfu n ALA 139 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2bfu n ALA 139 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2bfu n ALA 139 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bfu n ASN 140 N 0.63 0.00 -0.39 0.00 4.13 -1.26 -5.19 115.26 113.18 2bfu n ASN 140 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2bfu n ASN 140 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2bfu n ASN 140 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 2bfu n GLN 141 N 1.14 0.00 -2.84 3.52 -0.06 -1.26 -4.89 117.38 112.99 2bfu n GLN 141 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.98 2bfu n GLN 141 Cb 0.00 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.19 2bfu n GLN 141 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 2bfu n THR 142 N 0.00 0.00 -3.83 1.69 5.66 -1.26 -4.59 114.28 111.95 2bfu n THR 142 Ca 0.00 -0.34 -0.07 0.00 -3.05 0.00 0.00 64.05 60.58 2bfu n THR 142 Cb 0.00 0.46 0.02 0.00 -1.55 0.00 0.00 70.33 69.26 2bfu n THR 142 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2bfu s THR 143 N -2.29 0.00 0.22 1.09 2.01 0.95 -3.50 115.64 114.12 2bfu s THR 143 Ca 0.13 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 2bfu s THR 143 Cb -0.02 -2.78 -0.08 0.00 0.01 0.00 0.00 72.50 69.63 2bfu s THR 143 CO 0.03 0.00 0.98 0.26 -0.69 0.00 0.00 174.62 175.20 2bfu s TRP 144 N -2.45 3.87 0.09 4.92 0.52 -1.26 -3.16 118.94 121.47 2bfu s TRP 144 Ca 0.16 1.84 -0.04 0.00 0.02 0.00 0.00 56.10 58.08 2bfu s TRP 144 Cb -0.05 -3.06 0.02 0.00 -1.15 0.00 0.00 33.47 29.23 2bfu s TRP 144 CO 0.09 0.19 0.23 0.66 0.02 0.00 0.00 176.95 178.14 2bfu n TYR 145 N 1.77 -1.23 -3.59 -1.98 4.02 -0.54 0.17 117.16 115.78 2bfu n TYR 145 Ca -0.01 -0.46 -0.14 0.00 -0.01 0.00 0.00 57.90 57.28 2bfu n TYR 145 Cb 0.47 0.23 -0.06 0.00 -0.02 0.00 0.00 39.34 39.96 2bfu n TYR 145 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2bfu s LEU 146 N 0.00 -0.61 -0.62 7.72 0.20 -1.14 -2.77 118.68 121.46 2bfu s LEU 146 Ca 0.05 0.96 -0.15 0.00 0.69 0.00 0.00 54.13 55.68 2bfu s LEU 146 Cb -0.01 2.28 0.16 0.00 -0.43 0.00 0.00 46.19 48.19 2bfu s LEU 146 CO 0.03 -0.35 0.56 -0.70 -0.29 0.00 0.00 176.35 175.60 2bfu s GLU 147 N -0.35 3.12 -0.77 1.98 2.56 -1.24 -3.44 118.70 120.55 2bfu s GLU 147 Ca -0.03 -1.95 -0.17 0.00 0.00 0.00 0.00 54.97 52.81 2bfu s GLU 147 Cb -0.03 -4.29 0.15 0.00 2.00 0.00 0.00 34.13 31.96 2bfu s GLU 147 CO 0.02 -1.30 0.86 0.00 -0.56 0.00 0.00 175.26 174.28 2bfu n VAL 149 N 5.04 0.00 0.00 0.00 0.31 -1.26 -0.07 118.33 122.35 2bfu n VAL 149 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2bfu n VAL 149 Cb 0.46 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 2bfu n VAL 149 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bfu n ALA 150 N -0.08 0.00 -0.88 3.52 0.00 -1.21 -1.13 120.51 120.73 2bfu n ALA 150 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2bfu n ALA 150 Cb 0.00 0.00 0.40 0.00 0.00 0.00 0.00 19.45 19.85 2bfu n ALA 150 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2bfu n THR 151 N 0.00 2.64 0.00 0.00 -1.04 -1.26 -0.75 114.28 113.87 2bfu n THR 151 Ca 0.00 -1.40 0.00 0.00 -2.04 0.00 0.00 64.05 60.61 2bfu n THR 151 Cb 0.00 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 2bfu n THR 151 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2bfu n ASN 152 N 0.64 0.00 0.21 8.00 4.13 -1.26 -4.86 115.26 122.13 2bfu n ASN 152 Ca 0.27 0.00 0.10 0.00 1.68 0.00 0.00 54.58 56.63 2bfu n ASN 152 Cb 1.15 0.00 0.30 0.00 -1.54 0.00 0.00 39.78 39.69 2bfu n ASN 152 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2bfu h PRO 153 N 0.00 0.00 -2.49 3.52 0.13 -1.88 -3.23 132.00 128.05 2bfu h PRO 153 Ca 0.00 0.00 -0.80 0.00 -0.87 0.00 0.00 66.00 64.33 2bfu h PRO 153 Cb 0.00 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 30.85 2bfu h PRO 153 CO 0.00 0.18 0.88 -2.13 -0.23 0.00 0.00 178.00 176.70 2bfu n ARG 154 N -3.21 5.00 0.00 0.86 3.00 -1.26 -3.66 116.66 117.39 2bfu n ARG 154 Ca 0.02 -4.64 0.00 0.00 -0.00 0.00 0.00 57.85 53.23 2bfu n ARG 154 Cb 0.51 -2.47 0.00 0.00 0.00 0.00 0.00 32.46 30.50 2bfu n ARG 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2bfu n GLN 155 N 0.45 0.00 -3.74 -0.14 3.00 -1.23 -5.05 117.38 110.66 2bfu n GLN 155 Ca 0.39 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 57.10 2bfu n GLN 155 Cb 0.29 0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.37 2bfu n GLN 155 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2bfu s ILE 156 N -1.33 0.57 0.00 5.09 -1.09 -1.22 -4.58 121.20 118.63 2bfu s ILE 156 Ca 0.00 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 57.77 2bfu s ILE 156 Cb 0.00 -1.10 0.00 0.00 -1.58 0.00 0.00 42.46 39.78 2bfu s ILE 156 CO 0.00 -0.25 0.61 0.00 -1.23 0.00 0.00 174.94 174.07 2bfu n GLN 157 N 5.03 0.00 -3.91 2.79 3.00 0.57 -3.41 117.38 121.45 2bfu n GLN 157 Ca -0.08 0.24 -0.22 0.00 -0.01 0.00 0.00 57.00 56.93 2bfu n GLN 157 Cb 0.47 -1.15 -0.04 0.00 0.00 0.00 0.00 30.24 29.51 2bfu n GLN 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2bfu s GLN 158 N -1.71 2.71 -0.05 -1.09 0.74 -0.33 0.21 119.66 120.14 2bfu s GLN 158 Ca 0.00 -1.28 0.06 0.00 0.05 0.00 0.00 55.36 54.19 2bfu s GLN 158 Cb 0.00 -2.45 -0.01 0.00 1.10 0.00 0.00 33.01 31.65 2bfu s GLN 158 CO 0.00 0.16 -0.23 -0.06 -0.55 0.00 0.00 175.29 174.61 2bfu s PHE 159 N -2.29 2.21 -0.18 1.67 0.08 0.42 -1.23 117.98 118.67 2bfu s PHE 159 Ca 0.39 -0.63 -0.00 0.00 0.12 0.00 0.00 56.93 56.81 2bfu s PHE 159 Cb -0.06 -1.46 0.01 0.00 -0.57 0.00 0.00 43.02 40.94 2bfu s PHE 159 CO 0.26 -0.19 -0.16 -1.83 -0.10 0.00 0.00 175.22 173.20 2bfu s GLU 160 N -0.15 3.13 0.04 0.44 4.04 0.03 -2.80 118.70 123.43 2bfu s GLU 160 Ca -0.02 -0.77 0.03 0.00 0.04 0.00 0.00 54.97 54.25 2bfu s GLU 160 Cb -0.13 -2.66 -0.04 0.00 0.02 0.00 0.00 34.13 31.33 2bfu s GLU 160 CO 0.03 -0.12 -0.00 0.08 -1.84 0.00 0.00 175.26 173.40 2bfu s VAL 161 N 1.14 4.06 -0.11 1.83 1.01 -1.26 -3.29 120.40 123.78 2bfu s VAL 161 Ca 0.01 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 2bfu s VAL 161 Cb -0.14 -2.86 0.04 0.00 0.00 0.00 0.00 36.38 33.42 2bfu s VAL 161 CO -0.06 0.26 0.47 0.20 0.00 0.00 0.00 175.10 175.97 2bfu s ASN 162 N -1.88 -0.44 -0.02 3.32 0.02 -1.10 -3.86 114.94 110.98 2bfu s ASN 162 Ca 0.22 0.67 0.02 0.00 -1.02 0.00 0.00 52.86 52.75 2bfu s ASN 162 Cb -0.12 0.71 0.01 0.00 0.02 0.00 0.00 41.25 41.88 2bfu s ASN 162 CO 0.14 -0.33 -0.06 -0.04 0.02 0.00 0.00 177.10 176.83 2bfu s MET 163 N -0.46 0.72 -0.59 -0.60 -1.94 0.31 -2.46 119.30 114.28 2bfu s MET 163 Ca -0.06 -0.18 -0.12 0.00 -1.71 0.00 0.00 55.69 53.62 2bfu s MET 163 Cb -0.03 -0.71 0.15 0.00 2.01 0.00 0.00 34.83 36.25 2bfu s MET 163 CO 0.03 0.04 0.50 0.50 -0.01 0.00 0.00 175.02 176.08 2bfu s ARG 164 N 0.37 2.91 -0.84 2.03 3.52 -1.26 -3.99 118.95 121.70 2bfu s ARG 164 Ca -0.05 -1.97 -0.25 0.00 -0.13 0.00 0.00 55.73 53.33 2bfu s ARG 164 Cb -0.09 -4.15 -0.03 0.00 -1.56 0.00 0.00 34.95 29.12 2bfu s ARG 164 CO 0.00 -1.26 1.88 0.12 -0.81 0.00 0.00 175.30 175.23 2bfu s PHE 165 N 1.06 1.83 0.81 5.12 2.19 -1.26 -3.19 117.98 124.54 2bfu s PHE 165 Ca 0.08 0.55 -0.14 0.00 0.33 0.00 0.00 56.93 57.76 2bfu s PHE 165 Cb -0.23 -4.11 0.20 0.00 -1.31 0.00 0.00 43.02 37.56 2bfu s PHE 165 CO -0.01 -1.90 0.84 -0.25 1.83 0.00 0.00 175.22 175.72 2bfu n ASP 166 N 13.24 -1.14 0.09 6.13 8.00 -0.14 -5.01 116.55 137.71 2bfu n ASP 166 Ca 0.34 -1.10 -0.14 0.00 0.71 0.00 0.00 54.79 54.60 2bfu n ASP 166 Cb 0.48 -0.72 -0.08 0.00 -0.02 0.00 0.00 41.12 40.78 2bfu n ASP 166 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2bfu h PRO 167 N 0.00 0.30 -0.81 -0.24 0.11 -1.93 -3.26 132.00 126.16 2bfu h PRO 167 Ca -0.30 -0.40 0.00 0.00 0.11 0.00 0.00 66.00 65.41 2bfu h PRO 167 Cb 0.88 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2bfu h PRO 167 CO 0.20 1.13 0.00 0.09 -0.21 0.00 0.00 178.00 179.21 2bfu n ASN 168 N -3.62 0.95 -4.26 -2.05 4.13 -1.26 -4.61 115.26 104.53 2bfu n ASN 168 Ca -0.07 -1.43 -0.43 0.00 1.68 0.00 0.00 54.58 54.33 2bfu n ASN 168 Cb 0.92 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.81 2bfu n ASN 168 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2bfu n PHE 169 N 0.22 4.27 -1.30 3.10 3.72 -1.23 -3.38 117.46 122.86 2bfu n PHE 169 Ca 0.00 -3.15 -0.38 0.00 -0.05 0.00 0.00 57.45 53.87 2bfu n PHE 169 Cb 0.21 -2.12 -0.02 0.00 -0.94 0.00 0.00 39.48 36.60 2bfu n PHE 169 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2bfu n ARG 170 N 5.11 3.35 -0.11 -1.08 1.74 0.34 -4.78 116.66 121.24 2bfu n ARG 170 Ca 0.38 -2.16 -0.13 0.00 -0.77 0.00 0.00 57.85 55.17 2bfu n ARG 170 Cb 0.41 -2.83 0.12 0.00 -1.02 0.00 0.00 32.46 29.14 2bfu n ARG 170 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2bfu n VAL 171 N 3.92 0.00 0.00 1.55 3.14 -1.12 -3.96 118.33 121.85 2bfu n VAL 171 Ca 0.71 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 62.09 2bfu n VAL 171 Cb 0.24 -0.41 0.00 0.00 -1.06 0.00 0.00 33.84 32.62 2bfu n VAL 171 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2bfu n ALA 172 N -4.10 0.00 0.00 1.55 0.00 -1.04 -4.83 120.51 112.10 2bfu n ALA 172 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2bfu n ALA 172 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2bfu n ALA 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bfu n GLY 173 N -0.45 -0.79 2.76 0.00 0.00 -1.25 -3.48 105.19 101.99 2bfu n GLY 173 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 2bfu n GLY 173 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bfu n ASN 174 N 0.00 0.00 -4.64 1.61 4.05 -1.23 -3.81 115.26 111.24 2bfu n ASN 174 Ca 0.00 -0.03 -0.31 0.00 0.45 0.00 0.00 54.58 54.69 2bfu n ASN 174 Cb 0.00 -0.04 0.17 0.00 1.23 0.00 0.00 39.78 41.14 2bfu n ASN 174 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 2bfu n ILE 175 N -1.08 0.00 -2.38 -1.44 5.41 -1.26 -4.81 119.36 113.81 2bfu n ILE 175 Ca -0.01 -0.03 -0.38 0.00 1.00 0.00 0.00 62.75 63.33 2bfu n ILE 175 Cb 0.02 -0.97 -0.03 0.00 -0.71 0.00 0.00 39.64 37.94 2bfu n ILE 175 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2bfu s LEU 176 N -6.21 3.29 -0.48 1.39 1.43 -1.26 -4.93 118.68 111.91 2bfu s LEU 176 Ca 0.66 -0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 2bfu s LEU 176 Cb -0.23 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.45 2bfu s LEU 176 CO 0.59 -1.99 1.33 -0.04 0.23 0.00 0.00 176.35 176.47 2bfu s MET 177 N 5.96 3.53 0.00 1.70 -1.94 -1.26 -5.10 119.30 122.19 2bfu s MET 177 Ca 0.50 0.66 0.00 0.00 -1.71 0.00 0.00 55.69 55.14 2bfu s MET 177 Cb -0.06 -4.02 0.00 0.00 2.01 0.00 0.00 34.83 32.76 2bfu s MET 177 CO 0.06 -1.63 0.00 -0.35 -0.01 0.00 0.00 175.02 173.09 2bfu n PRO 178 N 8.21 0.00 -3.78 2.03 -0.04 -1.26 -4.97 135.00 135.18 2bfu n PRO 178 Ca 0.14 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.24 2bfu n PRO 178 Cb 0.49 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.84 2bfu n PRO 178 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2bfu s PRO 179 N 0.04 3.91 -0.38 0.54 0.04 -1.26 -4.96 135.00 132.94 2bfu s PRO 179 Ca 0.00 -0.35 0.13 0.00 0.04 0.00 0.00 61.00 60.81 2bfu s PRO 179 Cb 0.00 -3.40 0.41 0.00 0.04 0.00 0.00 34.50 31.55 2bfu s PRO 179 CO 0.00 0.02 0.91 1.19 0.04 0.00 0.00 177.00 179.16 2bfu n PHE 180 N 4.35 1.50 -1.46 0.56 3.72 -1.26 -5.07 117.46 119.79 2bfu n PHE 180 Ca -0.16 -3.28 0.00 0.00 -0.05 0.00 0.00 57.45 53.97 2bfu n PHE 180 Cb 0.52 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 2bfu n PHE 180 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2bfu n PRO 181 N -0.04 2.59 -4.52 -1.08 -0.04 -1.26 -5.11 135.00 125.53 2bfu n PRO 181 Ca 0.21 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.42 2bfu n PRO 181 Cb 0.70 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 34.06 2bfu n PRO 181 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2bfu s LEU 182 N 0.00 2.48 -0.51 1.53 2.34 -1.26 -4.84 118.68 118.42 2bfu s LEU 182 Ca 0.00 -1.37 0.06 0.00 0.06 0.00 0.00 54.13 52.88 2bfu s LEU 182 Cb 0.00 -0.60 0.19 0.00 -0.56 0.00 0.00 46.19 45.22 2bfu s LEU 182 CO 0.00 -0.54 0.76 -1.54 -1.06 0.00 0.00 176.35 173.97 2bfu n SER 183 N -0.80 -3.32 0.00 1.48 3.41 -1.26 -5.08 113.62 108.04 2bfu n SER 183 Ca -0.03 -2.82 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 2bfu n SER 183 Cb 0.67 1.70 0.00 0.00 -0.26 0.00 0.00 64.21 66.32 2bfu n SER 183 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2bfu n THR 184 N 2.86 0.00 -3.66 6.66 5.66 -1.26 -4.37 114.28 120.17 2bfu n THR 184 Ca 0.17 0.39 -0.05 0.00 -3.05 0.00 0.00 64.05 61.51 2bfu n THR 184 Cb 0.57 -1.17 -0.07 0.00 -1.55 0.00 0.00 70.33 68.11 2bfu n THR 184 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2bfu s GLU 185 N -0.78 0.50 -0.30 1.09 0.41 -1.26 -4.93 118.70 113.44 2bfu s GLU 185 Ca 0.00 1.23 -0.09 0.00 -0.41 0.00 0.00 54.97 55.70 2bfu s GLU 185 Cb 0.00 0.52 -0.01 0.00 -1.78 0.00 0.00 34.13 32.86 2bfu s GLU 185 CO 0.00 -0.21 0.12 0.95 -0.49 0.00 0.00 175.26 175.64 2bfu s THR 186 N 2.50 4.44 -0.93 3.63 -4.23 -1.26 -5.06 115.64 114.73 2bfu s THR 186 Ca -0.05 -0.41 -0.09 0.00 -1.18 0.00 0.00 61.69 59.95 2bfu s THR 186 Cb -0.11 -3.23 0.24 0.00 1.34 0.00 0.00 72.50 70.74 2bfu s THR 186 CO -0.17 0.12 0.87 -2.16 -0.54 0.00 0.00 174.62 172.75 2bfu s PRO 187 N 1.60 3.69 -1.10 3.99 0.04 -1.26 -4.98 135.00 136.98 2bfu s PRO 187 Ca 0.05 -2.87 -0.05 0.00 0.04 0.00 0.00 61.00 58.17 2bfu s PRO 187 Cb -0.17 -4.35 0.30 0.00 0.04 0.00 0.00 34.50 30.32 2bfu s PRO 187 CO 0.05 -1.26 1.46 -0.35 0.04 0.00 0.00 177.00 176.94 2bfu n PRO 188 N 3.22 4.32 0.00 0.56 -0.04 -1.26 -5.38 135.00 136.41 2bfu n PRO 188 Ca 0.18 -4.49 0.00 0.00 -0.04 0.00 0.00 63.50 59.15 2bfu n PRO 188 Cb 0.42 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 2bfu n PRO 188 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74