#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bcc h HIS 2 N 0.00 0.00 -0.56 7.33 2.07 -2.08 -2.60 115.15 119.31 1bcc h HIS 2 Ca 0.00 0.00 0.16 0.00 -2.85 0.00 0.00 60.37 57.68 1bcc h HIS 2 Cb 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 1bcc h HIS 2 CO 0.00 0.36 0.49 1.79 -3.07 0.00 0.00 177.93 177.50 1bcc h THR 3 N 0.00 0.48 0.00 6.12 1.35 -2.13 0.86 112.91 119.60 1bcc h THR 3 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1bcc h THR 3 Cb 0.77 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1bcc h THR 3 CO 0.05 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.79 1bcc n ASP 4 N -3.96 0.94 -4.03 5.36 8.00 -0.98 -4.82 116.55 117.05 1bcc n ASP 4 Ca 0.11 -1.79 -0.25 0.00 0.71 0.00 0.00 54.79 53.56 1bcc n ASP 4 Cb 0.71 -0.45 -0.17 0.00 -0.02 0.00 0.00 41.12 41.20 1bcc n ASP 4 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1bcc s ILE 5 N -0.97 1.20 0.34 0.53 1.01 0.29 -5.09 121.20 118.51 1bcc s ILE 5 Ca 0.00 -0.51 0.08 0.00 0.00 0.00 0.00 60.65 60.23 1bcc s ILE 5 Cb 0.00 -1.09 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 1bcc s ILE 5 CO 0.00 0.37 0.10 -0.54 0.00 0.00 0.00 174.94 174.87 1bcc s LYS 6 N 0.71 2.28 -0.19 2.79 3.01 -1.26 -5.10 119.74 121.98 1bcc s LYS 6 Ca -0.14 -1.60 -0.14 0.00 -1.01 0.00 0.00 55.97 53.08 1bcc s LYS 6 Cb -0.16 -2.10 -0.04 0.00 -1.01 0.00 0.00 37.83 34.52 1bcc s LYS 6 CO 0.03 0.13 0.31 0.08 0.51 0.00 0.00 175.35 176.40 1bcc s VAL 7 N -2.45 5.28 1.20 3.17 1.01 -1.26 -5.06 120.40 122.28 1bcc s VAL 7 Ca 0.37 0.53 -0.18 0.00 0.00 0.00 0.00 61.98 62.70 1bcc s VAL 7 Cb -0.02 -3.64 0.23 0.00 0.00 0.00 0.00 36.38 32.95 1bcc s VAL 7 CO 0.22 0.33 0.49 -2.65 0.00 0.00 0.00 175.10 173.48 1bcc n PRO 8 N 4.08 -2.86 -3.31 2.72 -0.02 -1.26 -4.93 135.00 129.42 1bcc n PRO 8 Ca -0.11 -0.84 -0.39 0.00 -2.02 0.00 0.00 63.50 60.14 1bcc n PRO 8 Cb 0.52 -1.76 -0.08 0.00 -0.02 0.00 0.00 33.50 32.15 1bcc n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1bcc s ASN 9 N -2.29 6.38 0.00 2.55 2.47 -1.26 -4.88 114.94 117.91 1bcc s ASN 9 Ca 0.55 0.45 0.15 0.00 0.42 0.00 0.00 52.86 54.43 1bcc s ASN 9 Cb -0.12 -2.25 0.07 0.00 -1.45 0.00 0.00 41.25 37.50 1bcc s ASN 9 CO 0.54 -0.22 0.91 0.49 -3.72 0.00 0.00 177.10 175.10 1bcc n PHE 10 N 5.28 0.00 -1.64 0.43 3.01 -1.26 -4.81 117.46 118.47 1bcc n PHE 10 Ca -0.06 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 57.93 1bcc n PHE 10 Cb 0.50 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.94 1bcc n PHE 10 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1bcc n SER 11 N 0.47 2.30 0.00 4.37 2.88 -1.26 0.16 113.62 122.53 1bcc n SER 11 Ca 0.08 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1bcc n SER 11 Cb 0.35 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 1bcc n SER 11 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1bcc n ASP 12 N 2.30 0.00 -0.09 -3.46 10.43 -1.26 -4.25 116.55 120.22 1bcc n ASP 12 Ca 0.14 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.50 1bcc n ASP 12 Cb 0.28 0.00 0.02 0.00 1.84 0.00 0.00 41.12 43.26 1bcc n ASP 12 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1bcc n TYR 13 N 0.00 0.04 0.00 1.24 -0.00 -1.07 -3.57 117.16 113.79 1bcc n TYR 13 Ca 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 57.90 58.18 1bcc n TYR 13 Cb 0.00 -0.60 0.00 0.00 -0.00 0.00 0.00 39.34 38.74 1bcc n TYR 13 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1bcc n ARG 14 N -4.35 0.01 -1.55 -3.48 5.12 0.12 -5.08 116.66 107.45 1bcc n ARG 14 Ca 0.03 0.00 -0.48 0.00 -1.93 0.00 0.00 57.85 55.46 1bcc n ARG 14 Cb 0.10 -0.63 -0.04 0.00 -1.16 0.00 0.00 32.46 30.74 1bcc n ARG 14 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1bcc n ARG 15 N -1.74 0.98 -2.50 5.56 1.74 -0.60 -4.93 116.66 115.18 1bcc n ARG 15 Ca 0.00 0.35 -0.38 0.00 -0.77 0.00 0.00 57.85 57.05 1bcc n ARG 15 Cb 0.13 -1.75 -0.04 0.00 -1.02 0.00 0.00 32.46 29.77 1bcc n ARG 15 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1bcc s PRO 16 N -0.68 4.31 0.00 5.56 0.04 -1.26 -4.37 135.00 138.60 1bcc s PRO 16 Ca 0.70 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1bcc s PRO 16 Cb -0.86 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1bcc s PRO 16 CO 0.55 -0.04 0.34 -2.30 0.04 0.00 0.00 177.00 175.59 1bcc n PRO 17 N 0.36 0.00 -0.28 0.56 -0.02 -1.26 0.03 135.00 134.39 1bcc n PRO 17 Ca 0.03 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.62 1bcc n PRO 17 Cb 0.48 -1.55 0.28 0.00 -0.02 0.00 0.00 33.50 32.68 1bcc n PRO 17 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1bcc n ASP 18 N -0.74 3.41 -3.92 2.55 8.00 -1.26 -4.77 116.55 119.81 1bcc n ASP 18 Ca 0.00 -1.98 -0.30 0.00 0.71 0.00 0.00 54.79 53.22 1bcc n ASP 18 Cb 0.34 -0.37 -0.14 0.00 -0.02 0.00 0.00 41.12 40.94 1bcc n ASP 18 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1bcc s ASP 19 N -1.18 4.29 -0.25 -2.24 1.11 0.10 -4.87 116.67 113.63 1bcc s ASP 19 Ca 0.42 -3.06 -0.03 0.00 0.18 0.00 0.00 52.55 50.05 1bcc s ASP 19 Cb 0.23 -1.58 0.14 0.00 1.07 0.00 0.00 42.92 42.77 1bcc s ASP 19 CO 0.30 -0.22 0.44 -0.31 1.18 0.00 0.00 175.17 176.57 1bcc s TYR 20 N -0.35 -1.01 0.12 4.23 1.51 -1.26 -4.71 117.35 115.88 1bcc s TYR 20 Ca 0.18 1.20 -0.02 0.00 -1.01 0.00 0.00 57.07 57.42 1bcc s TYR 20 Cb -0.24 0.22 -0.02 0.00 -0.11 0.00 0.00 41.96 41.81 1bcc s TYR 20 CO -0.02 -0.71 -0.08 0.45 -1.11 0.00 0.00 175.55 174.08 1bcc n SER 21 N 5.39 -0.73 0.00 2.29 2.88 -1.26 -4.02 113.62 118.17 1bcc n SER 21 Ca -0.04 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1bcc n SER 21 Cb 0.50 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1bcc n SER 21 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1bcc n THR 22 N -0.30 0.00 -3.76 2.46 -2.24 -1.26 -5.01 114.28 104.18 1bcc n THR 22 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1bcc n THR 22 Cb 0.07 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.13 1bcc n THR 22 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1bcc s LYS 23 N -0.05 0.06 -0.01 -0.78 1.02 -1.26 -5.11 119.74 113.61 1bcc s LYS 23 Ca 0.00 0.24 -0.35 0.00 0.02 0.00 0.00 55.97 55.87 1bcc s LYS 23 Cb 0.00 -0.46 -0.14 0.00 -0.52 0.00 0.00 37.83 36.71 1bcc s LYS 23 CO 0.00 -0.24 1.68 0.45 -0.92 0.00 0.00 175.35 176.32 1bcc n SER 24 N 4.70 2.91 0.11 2.83 2.88 -1.26 -4.82 113.62 120.97 1bcc n SER 24 Ca -0.16 1.05 -0.01 0.00 -1.33 0.00 0.00 58.87 58.41 1bcc n SER 24 Cb 0.50 -1.33 0.25 0.00 -0.75 0.00 0.00 64.21 62.88 1bcc n SER 24 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1bcc h SER 25 N 7.15 0.21 -0.09 -3.46 0.02 -1.98 -3.25 113.55 112.15 1bcc h SER 25 Ca -0.47 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.33 1bcc h SER 25 Cb 1.28 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1bcc h SER 25 CO 0.91 0.59 -0.15 0.03 -1.14 0.00 0.00 176.83 177.07 1bcc h ARG 26 N 0.17 0.44 -0.11 3.45 3.08 -1.97 -2.51 114.38 116.94 1bcc h ARG 26 Ca 0.02 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 1bcc h ARG 26 Cb 0.79 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1bcc h ARG 26 CO 0.06 0.59 -0.24 1.05 -1.07 0.00 0.00 179.97 180.36 1bcc h GLU 27 N 0.41 0.19 0.00 0.04 4.11 -1.96 -3.04 114.58 114.33 1bcc h GLU 27 Ca 0.07 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1bcc h GLU 27 Cb 0.51 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1bcc h GLU 27 CO 0.03 0.42 -0.66 -1.13 0.07 0.00 0.00 179.01 177.75 1bcc n SER 28 N -4.19 0.62 0.04 3.06 3.41 -1.09 -4.42 113.62 111.06 1bcc n SER 28 Ca -0.01 -0.04 0.11 0.00 -0.26 0.00 0.00 58.87 58.67 1bcc n SER 28 Cb 0.34 0.30 0.05 0.00 -0.26 0.00 0.00 64.21 64.64 1bcc n SER 28 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1bcc n ASP 29 N -1.90 0.64 0.20 4.04 8.00 -0.97 -2.72 116.55 123.84 1bcc n ASP 29 Ca 0.04 -0.04 0.14 0.00 0.71 0.00 0.00 54.79 55.64 1bcc n ASP 29 Cb 0.41 0.62 0.66 0.00 -0.02 0.00 0.00 41.12 42.78 1bcc n ASP 29 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1bcc h PRO 30 N 0.00 0.00 0.20 -0.24 0.13 -1.77 0.20 132.00 130.52 1bcc h PRO 30 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.81 1bcc h PRO 30 Cb 0.78 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.93 1bcc h PRO 30 CO 0.00 0.00 -1.53 1.03 -0.23 0.00 0.00 178.00 177.27 1bcc h SER 31 N 0.00 0.67 -0.69 1.44 0.87 -1.83 -2.22 113.55 111.79 1bcc h SER 31 Ca 0.00 -0.93 -0.07 0.00 -1.23 0.00 0.00 61.79 59.57 1bcc h SER 31 Cb 0.26 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 1bcc h SER 31 CO 0.00 1.71 0.17 0.03 -0.53 0.00 0.00 176.83 178.21 1bcc h ARG 32 N 0.03 1.12 -0.04 2.24 2.47 -0.64 -2.50 114.38 117.06 1bcc h ARG 32 Ca -0.29 -0.26 -0.18 0.00 -1.26 0.00 0.00 59.98 57.99 1bcc h ARG 32 Cb 2.05 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 30.21 1bcc h ARG 32 CO 0.20 0.98 -0.76 0.87 0.56 0.00 0.00 179.97 181.83 1bcc h LYS 33 N 1.06 0.26 -0.81 0.04 1.57 -0.84 -3.15 116.57 114.70 1bcc h LYS 33 Ca 0.22 -0.23 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1bcc h LYS 33 Cb 0.37 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 1bcc h LYS 33 CO 0.00 0.90 0.49 0.78 -0.57 0.00 0.00 179.45 181.05 1bcc h GLY 34 N 1.58 1.21 0.47 3.86 0.00 -1.08 -0.77 103.07 108.34 1bcc h GLY 34 Ca -0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1bcc h GLY 34 CO 0.12 0.24 -0.23 -2.75 0.00 0.00 0.00 176.54 173.92 1bcc h PHE 35 N 0.90 -0.59 -0.45 5.60 3.57 -1.43 -1.53 116.94 123.02 1bcc h PHE 35 Ca 0.35 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.89 1bcc h PHE 35 Cb 0.16 0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.02 1bcc h PHE 35 CO -0.04 -0.36 -0.47 0.77 -2.23 0.00 0.00 178.31 175.97 1bcc h SER 36 N -0.72 -1.61 -0.66 0.41 0.02 -1.50 0.32 113.55 109.82 1bcc h SER 36 Ca -0.06 0.22 0.14 0.00 -0.84 0.00 0.00 61.79 61.25 1bcc h SER 36 Cb 0.48 0.67 -0.04 0.00 0.14 0.00 0.00 62.40 63.66 1bcc h SER 36 CO 0.11 -0.30 0.45 1.88 -1.14 0.00 0.00 176.83 177.82 1bcc h TYR 37 N -0.26 0.32 -0.43 3.45 0.05 -1.22 0.20 116.97 119.08 1bcc h TYR 37 Ca 0.08 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 1bcc h TYR 37 Cb 0.46 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 1bcc h TYR 37 CO -0.77 0.13 0.19 1.25 -1.05 0.00 0.00 178.16 177.90 1bcc h LEU 38 N 0.28 0.57 -0.60 3.88 5.85 0.63 1.52 115.31 127.44 1bcc h LEU 38 Ca 0.32 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1bcc h LEU 38 Cb 0.86 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1bcc h LEU 38 CO -0.07 0.56 0.38 0.58 -0.34 0.00 0.00 178.44 179.55 1bcc h VAL 39 N 0.55 1.10 -0.23 1.05 2.07 0.13 0.84 116.25 121.76 1bcc h VAL 39 Ca 0.14 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 1bcc h VAL 39 Cb 0.15 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1bcc h VAL 39 CO -0.02 0.14 -0.13 0.74 0.02 0.00 0.00 177.57 178.32 1bcc h THR 40 N 0.76 1.31 -0.89 2.57 2.02 -0.67 -2.21 112.91 115.79 1bcc h THR 40 Ca 0.24 -1.22 0.15 0.00 0.77 0.00 0.00 66.41 66.35 1bcc h THR 40 Cb -0.01 1.62 -0.10 0.00 -1.74 0.00 0.00 68.15 67.92 1bcc h THR 40 CO -0.08 0.38 0.49 0.00 0.37 0.00 0.00 175.52 176.67 1bcc h ALA 41 N 0.70 1.37 -0.57 6.16 0.00 0.26 -0.67 119.26 126.52 1bcc h ALA 41 Ca 0.05 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1bcc h ALA 41 Cb 0.64 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1bcc h ALA 41 CO 0.04 -0.06 -0.00 0.28 0.00 0.00 0.00 179.25 179.51 1bcc h VAL 42 N 0.68 1.26 -0.22 0.00 2.07 -0.62 -2.14 116.25 117.29 1bcc h VAL 42 Ca 0.49 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1bcc h VAL 42 Cb 0.69 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1bcc h VAL 42 CO -0.36 0.40 -0.00 0.74 0.02 0.00 0.00 177.57 178.37 1bcc h THR 43 N 0.90 1.26 -0.65 2.57 2.02 -0.54 0.65 112.91 119.12 1bcc h THR 43 Ca 0.16 -0.90 0.06 0.00 0.77 0.00 0.00 66.41 66.51 1bcc h THR 43 Cb 0.53 1.42 -0.06 0.00 -1.74 0.00 0.00 68.15 68.30 1bcc h THR 43 CO 0.03 0.28 0.35 0.74 0.37 0.00 0.00 175.52 177.29 1bcc h THR 44 N 0.15 0.95 0.54 3.16 2.02 -1.21 0.26 112.91 118.79 1bcc h THR 44 Ca 0.06 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1bcc h THR 44 Cb 0.41 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1bcc h THR 44 CO 0.01 0.12 -0.41 0.25 0.37 0.00 0.00 175.52 175.86 1bcc h LEU 45 N 0.65 -1.06 -0.84 2.58 7.12 -0.85 0.60 115.31 123.51 1bcc h LEU 45 Ca 0.30 0.07 0.04 0.00 0.13 0.00 0.00 57.88 58.42 1bcc h LEU 45 Cb 0.20 0.33 -0.05 0.00 -0.53 0.00 0.00 40.66 40.61 1bcc h LEU 45 CO -0.19 -0.60 0.53 1.23 -0.13 0.00 0.00 178.44 179.28 1bcc h GLY 46 N -0.93 1.23 1.00 3.75 0.00 0.72 -2.55 103.07 106.28 1bcc h GLY 46 Ca -0.06 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1bcc h GLY 46 CO 0.02 0.32 0.25 -2.08 0.00 0.00 0.00 176.54 175.05 1bcc h VAL 47 N 1.01 1.11 -0.05 4.60 2.07 -0.20 -2.82 116.25 121.97 1bcc h VAL 47 Ca 0.34 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.68 1bcc h VAL 47 Cb 0.05 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 1bcc h VAL 47 CO -0.13 0.11 -0.35 0.00 0.02 0.00 0.00 177.57 177.22 1bcc h ALA 48 N 1.13 -0.49 -0.26 1.67 0.00 -0.47 -1.15 119.26 119.69 1bcc h ALA 48 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1bcc h ALA 48 Cb -0.04 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1bcc h ALA 48 CO -0.03 -0.86 0.00 0.98 0.00 0.00 0.00 179.25 179.34 1bcc n TYR 49 N -5.42 0.00 -0.38 0.00 9.36 -1.08 0.34 117.16 119.97 1bcc n TYR 49 Ca -0.04 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.14 1bcc n TYR 49 Cb 0.34 -0.40 0.00 0.00 -0.63 0.00 0.00 39.34 38.65 1bcc n TYR 49 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1bcc h ALA 50 N -0.98 -0.03 -0.28 2.98 0.00 -1.22 -0.47 119.26 119.26 1bcc h ALA 50 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1bcc h ALA 50 Cb 0.00 1.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1bcc h ALA 50 CO 0.00 -0.71 0.13 0.00 0.00 0.00 0.00 179.25 178.67 1bcc h ALA 51 N 1.14 0.33 -0.77 0.00 0.00 0.16 -1.06 119.26 119.05 1bcc h ALA 51 Ca 0.29 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.39 1bcc h ALA 51 Cb 0.55 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.19 1bcc h ALA 51 CO -0.96 -0.26 0.21 -0.22 0.00 0.00 0.00 179.25 178.02 1bcc h LYS 52 N 0.28 0.27 0.00 0.00 3.11 0.15 0.10 116.57 120.49 1bcc h LYS 52 Ca 0.12 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.94 1bcc h LYS 52 Cb 0.04 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1bcc h LYS 52 CO -0.08 0.18 -0.00 -0.91 -2.81 0.00 0.00 179.45 175.83 1bcc h ASN 53 N 0.28 -0.00 -0.94 4.20 2.35 -0.72 -2.12 115.58 118.63 1bcc h ASN 53 Ca 0.44 0.00 0.25 0.00 -0.55 0.00 0.00 56.30 56.44 1bcc h ASN 53 Cb 0.78 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.98 1bcc h ASN 53 CO -0.53 -0.00 0.03 0.58 -1.65 0.00 0.00 177.43 175.87 1bcc h VAL 54 N -0.00 0.09 0.08 2.81 2.07 -1.07 0.48 116.25 120.71 1bcc h VAL 54 Ca -0.00 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1bcc h VAL 54 Cb 0.00 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1bcc h VAL 54 CO 0.00 0.01 -0.04 0.58 0.02 0.00 0.00 177.57 178.14 1bcc h VAL 55 N 0.04 0.98 -0.35 2.57 2.07 -0.88 -1.84 116.25 118.84 1bcc h VAL 55 Ca 0.56 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.80 1bcc h VAL 55 Cb 1.13 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1bcc h VAL 55 CO -0.86 0.05 -0.08 0.71 0.02 0.00 0.00 177.57 177.41 1bcc h THR 56 N -0.21 1.23 -0.34 2.57 1.35 -0.03 -0.69 112.91 116.79 1bcc h THR 56 Ca -0.01 -1.00 0.03 0.00 -0.55 0.00 0.00 66.41 64.87 1bcc h THR 56 Cb 0.17 1.06 -0.03 0.00 -1.73 0.00 0.00 68.15 67.62 1bcc h THR 56 CO 0.02 0.34 0.16 1.56 -0.25 0.00 0.00 175.52 177.34 1bcc h GLN 57 N 0.55 0.32 -0.07 4.72 4.20 0.04 -1.73 115.11 123.12 1bcc h GLN 57 Ca 0.10 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 1bcc h GLN 57 Cb 0.47 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1bcc h GLN 57 CO 0.03 0.21 -0.36 0.74 -0.67 0.00 0.00 178.83 178.77 1bcc h PHE 58 N 0.33 0.17 0.00 2.96 -1.00 -1.03 -2.17 116.94 116.19 1bcc h PHE 58 Ca 0.15 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1bcc h PHE 58 Cb 0.07 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.59 1bcc h PHE 58 CO -0.11 0.50 0.00 0.28 -1.61 0.00 0.00 178.31 177.37 1bcc n VAL 59 N -4.08 0.00 -0.01 -0.55 0.31 -0.29 -2.42 118.33 111.29 1bcc n VAL 59 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1bcc n VAL 59 Cb 0.43 -0.43 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1bcc n VAL 59 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1bcc n SER 60 N -0.75 3.74 -1.24 4.52 7.64 -0.83 -4.33 113.62 122.36 1bcc n SER 60 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1bcc n SER 60 Cb 0.04 0.95 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 1bcc n SER 60 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1bcc n SER 61 N -1.93 3.20 0.00 6.43 3.41 -1.02 -0.32 113.62 123.39 1bcc n SER 61 Ca -0.05 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 1bcc n SER 61 Cb 0.40 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1bcc n SER 61 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1bcc n MET 62 N 1.01 0.00 -0.94 4.33 1.56 -1.26 -5.07 117.12 116.76 1bcc n MET 62 Ca 0.00 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.14 1bcc n MET 62 Cb 0.40 -0.49 0.19 0.00 2.15 0.00 0.00 33.22 35.47 1bcc n MET 62 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1bcc s SER 63 N -2.01 2.43 0.23 6.12 0.15 0.56 -4.92 113.70 116.27 1bcc s SER 63 Ca 0.00 1.51 -0.31 0.00 0.70 0.00 0.00 55.95 57.85 1bcc s SER 63 Cb 0.00 -2.18 -0.11 0.00 -1.71 0.00 0.00 66.02 62.02 1bcc s SER 63 CO 0.00 -3.30 1.58 0.00 1.20 0.00 0.00 173.24 172.72 1bcc s ALA 64 N -2.76 3.77 0.64 5.45 0.00 -1.26 -4.99 121.76 122.60 1bcc s ALA 64 Ca 0.66 1.47 -0.09 0.00 0.00 0.00 0.00 51.96 53.99 1bcc s ALA 64 Cb -0.21 -3.63 -0.00 0.00 0.00 0.00 0.00 23.12 19.28 1bcc s ALA 64 CO 0.60 -0.87 1.00 -1.54 0.00 0.00 0.00 175.76 174.95 1bcc s SER 65 N 0.78 5.72 0.32 0.00 1.04 -1.26 -4.75 113.70 115.55 1bcc s SER 65 Ca 0.67 1.06 0.08 0.00 0.48 0.00 0.00 55.95 58.24 1bcc s SER 65 Cb -0.46 -2.01 0.92 0.00 0.10 0.00 0.00 66.02 64.56 1bcc s SER 65 CO 0.39 -1.10 1.61 0.00 0.98 0.00 0.00 173.24 175.12 1bcc h ALA 66 N -0.38 1.52 0.00 5.32 0.00 -1.98 0.52 119.26 124.26 1bcc h ALA 66 Ca -0.45 0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1bcc h ALA 66 Cb 1.24 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1bcc h ALA 66 CO 0.62 -0.63 -0.21 0.38 0.00 0.00 0.00 179.25 179.41 1bcc h ASP 67 N 0.10 0.00 0.00 0.00 2.03 -2.00 -2.57 116.42 113.98 1bcc h ASP 67 Ca 0.66 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.89 1bcc h ASP 67 Cb 1.48 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.97 1bcc h ASP 67 CO -0.77 0.21 -0.46 0.58 -1.03 0.00 0.00 179.24 177.77 1bcc h VAL 68 N 0.00 0.93 0.00 4.15 2.07 -0.36 -3.30 116.25 119.74 1bcc h VAL 68 Ca -0.00 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.67 1bcc h VAL 68 Cb 0.43 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1bcc h VAL 68 CO 0.03 0.31 0.37 -0.07 0.02 0.00 0.00 177.57 178.23 1bcc h LEU 69 N -1.00 0.00 -1.06 2.57 3.38 -1.28 0.85 115.31 118.77 1bcc h LEU 69 Ca -0.11 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1bcc h LEU 69 Cb 0.84 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1bcc h LEU 69 CO -0.06 0.00 -0.07 0.00 0.09 0.00 0.00 178.44 178.39 1bcc h ALA 70 N 1.24 1.22 -0.59 1.53 0.00 -1.53 -1.94 119.26 119.19 1bcc h ALA 70 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1bcc h ALA 70 Cb 0.74 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1bcc h ALA 70 CO 0.00 0.51 0.08 -1.33 0.00 0.00 0.00 179.25 178.51 1bcc n MET 71 N -4.22 4.34 -0.03 0.00 2.81 0.28 -4.48 117.12 115.82 1bcc n MET 71 Ca 0.01 -2.93 -0.14 0.00 -1.81 0.00 0.00 57.70 52.83 1bcc n MET 71 Cb 0.31 -2.21 -0.10 0.00 -0.71 0.00 0.00 33.22 30.51 1bcc n MET 71 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1bcc h SER 72 N 3.37 0.24 -3.74 7.83 0.87 -1.28 -3.38 113.55 117.46 1bcc h SER 72 Ca 0.08 -0.67 -0.68 0.00 -1.23 0.00 0.00 61.79 59.29 1bcc h SER 72 Cb 2.01 -0.07 -0.20 0.00 -0.44 0.00 0.00 62.40 63.70 1bcc h SER 72 CO 0.54 0.86 -0.82 -0.54 -0.53 0.00 0.00 176.83 176.34 1bcc s LYS 73 N -3.56 1.66 -0.06 2.24 1.02 -1.26 -4.72 119.74 115.07 1bcc s LYS 73 Ca -0.15 -1.25 0.03 0.00 0.02 0.00 0.00 55.97 54.62 1bcc s LYS 73 Cb 0.02 -2.04 0.01 0.00 -0.52 0.00 0.00 37.83 35.30 1bcc s LYS 73 CO 0.74 0.47 -0.13 -1.50 -0.92 0.00 0.00 175.35 174.00 1bcc s ILE 74 N -1.16 1.20 -0.27 2.17 2.07 -0.67 -4.97 121.20 119.57 1bcc s ILE 74 Ca 0.17 -0.54 -0.11 0.00 -1.41 0.00 0.00 60.65 58.76 1bcc s ILE 74 Cb -0.10 -1.08 -0.05 0.00 0.13 0.00 0.00 42.46 41.36 1bcc s ILE 74 CO 0.09 0.36 0.21 -1.61 -1.91 0.00 0.00 174.94 172.08 1bcc s GLU 75 N 0.46 3.98 -0.10 3.50 2.02 -1.26 -0.80 118.70 126.50 1bcc s GLU 75 Ca -0.11 -0.27 0.03 0.00 0.02 0.00 0.00 54.97 54.64 1bcc s GLU 75 Cb -0.14 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.45 1bcc s GLU 75 CO 0.03 -0.15 -0.21 0.42 0.02 0.00 0.00 175.26 175.37 1bcc s ILE 76 N 1.69 1.82 -0.56 -1.63 1.01 0.29 -4.94 121.20 118.88 1bcc s ILE 76 Ca 0.08 -0.87 -0.26 0.00 0.00 0.00 0.00 60.65 59.60 1bcc s ILE 76 Cb -0.16 -1.59 0.03 0.00 0.01 0.00 0.00 42.46 40.75 1bcc s ILE 76 CO 0.10 0.51 1.06 -0.75 0.00 0.00 0.00 174.94 175.86 1bcc s LYS 77 N 0.51 3.44 0.33 2.79 2.20 -1.25 -1.16 119.74 126.60 1bcc s LYS 77 Ca -0.16 0.03 0.02 0.00 -0.36 0.00 0.00 55.97 55.50 1bcc s LYS 77 Cb -0.17 -4.02 0.60 0.00 -1.51 0.00 0.00 37.83 32.72 1bcc s LYS 77 CO 0.06 -1.55 1.97 -0.07 -0.36 0.00 0.00 175.35 175.40 1bcc h LEU 78 N 11.39 0.80 -2.06 5.43 3.38 0.21 -2.77 115.31 131.69 1bcc h LEU 78 Ca -0.25 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1bcc h LEU 78 Cb 1.07 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1bcc h LEU 78 CO 1.13 0.55 0.00 0.77 0.09 0.00 0.00 178.44 180.98 1bcc h SER 79 N 0.93 0.00 -0.17 -0.43 4.64 -1.87 -2.26 113.55 114.39 1bcc h SER 79 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1bcc h SER 79 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1bcc h SER 79 CO -0.08 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.35 1bcc n ASP 80 N -2.96 1.86 -3.78 4.97 9.92 -1.04 -4.46 116.55 121.05 1bcc n ASP 80 Ca -0.01 -1.72 -0.28 0.00 -0.53 0.00 0.00 54.79 52.25 1bcc n ASP 80 Cb 0.18 -0.10 -0.12 0.00 -0.64 0.00 0.00 41.12 40.44 1bcc n ASP 80 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1bcc s ILE 81 N -1.79 2.15 1.06 0.53 1.01 -0.85 -5.12 121.20 118.19 1bcc s ILE 81 Ca 0.33 -3.58 -0.12 0.00 0.00 0.00 0.00 60.65 57.29 1bcc s ILE 81 Cb 0.18 -2.44 0.23 0.00 0.01 0.00 0.00 42.46 40.44 1bcc s ILE 81 CO 0.28 -1.00 1.07 -2.16 0.00 0.00 0.00 174.94 173.12 1bcc s PRO 82 N -0.73 -0.10 0.44 2.79 0.04 -1.26 -4.59 135.00 131.58 1bcc s PRO 82 Ca 0.24 0.96 -0.25 0.00 0.04 0.00 0.00 61.00 61.98 1bcc s PRO 82 Cb -0.09 -1.64 -0.09 0.00 0.04 0.00 0.00 34.50 32.72 1bcc s PRO 82 CO -0.12 -3.20 1.36 0.39 0.04 0.00 0.00 177.00 175.47 1bcc n GLU 83 N -4.57 2.12 0.00 4.56 1.02 -1.26 -3.74 120.64 118.77 1bcc n GLU 83 Ca 0.06 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 1bcc n GLU 83 Cb 0.54 -2.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 1bcc n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bcc n GLY 84 N 0.68 3.10 3.66 0.62 0.00 0.11 -4.96 105.19 108.40 1bcc n GLY 84 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1bcc n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bcc s LYS 85 N -0.24 2.46 -0.27 1.61 2.20 -1.25 -4.98 119.74 119.28 1bcc s LYS 85 Ca 0.00 -0.87 -0.08 0.00 -0.36 0.00 0.00 55.97 54.66 1bcc s LYS 85 Cb 0.00 -2.49 -0.02 0.00 -1.51 0.00 0.00 37.83 33.81 1bcc s LYS 85 CO 0.00 0.54 0.10 1.21 -0.36 0.00 0.00 175.35 176.84 1bcc s ASN 86 N -2.21 5.32 -0.12 1.43 2.47 -1.26 -3.37 114.94 117.20 1bcc s ASN 86 Ca 0.24 -0.32 -0.09 0.00 0.42 0.00 0.00 52.86 53.11 1bcc s ASN 86 Cb -0.12 -1.96 -0.04 0.00 -1.45 0.00 0.00 41.25 37.68 1bcc s ASN 86 CO 0.16 -0.09 0.18 -0.04 -3.72 0.00 0.00 177.10 173.59 1bcc s MET 87 N 1.62 3.67 -0.15 0.43 -1.94 -0.99 -4.96 119.30 116.98 1bcc s MET 87 Ca 0.06 -0.07 -0.04 0.00 -1.71 0.00 0.00 55.69 53.93 1bcc s MET 87 Cb -0.16 -3.25 -0.03 0.00 2.01 0.00 0.00 34.83 33.40 1bcc s MET 87 CO 0.05 0.66 -0.01 0.00 -0.01 0.00 0.00 175.02 175.70 1bcc s ALA 88 N -0.72 3.12 0.27 3.03 0.00 -1.26 -1.96 121.76 124.24 1bcc s ALA 88 Ca 0.15 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1bcc s ALA 88 Cb -0.12 -1.61 -0.06 0.00 0.00 0.00 0.00 23.12 21.33 1bcc s ALA 88 CO 0.04 0.27 0.01 -0.06 0.00 0.00 0.00 175.76 176.03 1bcc s PHE 89 N 0.15 1.73 -0.19 0.00 0.08 -0.68 -4.93 117.98 114.14 1bcc s PHE 89 Ca 0.00 -0.92 -0.06 0.00 0.12 0.00 0.00 56.93 56.07 1bcc s PHE 89 Cb -0.13 -1.04 -0.03 0.00 -0.57 0.00 0.00 43.02 41.25 1bcc s PHE 89 CO 0.02 -0.01 0.03 0.21 -0.10 0.00 0.00 175.22 175.37 1bcc s LYS 90 N -3.87 3.77 -0.14 0.44 2.20 -1.26 0.46 119.74 121.33 1bcc s LYS 90 Ca 0.32 -0.45 -0.06 0.00 -0.36 0.00 0.00 55.97 55.42 1bcc s LYS 90 Cb 0.06 -3.13 0.07 0.00 -1.51 0.00 0.00 37.83 33.32 1bcc s LYS 90 CO 0.11 0.12 0.31 -0.46 -0.36 0.00 0.00 175.35 175.07 1bcc s TRP 91 N 0.74 -0.50 -1.44 4.03 -0.00 0.20 -4.87 118.94 117.09 1bcc s TRP 91 Ca 0.01 1.09 -0.09 0.00 -0.00 0.00 0.00 56.10 57.11 1bcc s TRP 91 Cb -0.14 0.07 0.05 0.00 -0.00 0.00 0.00 33.47 33.45 1bcc s TRP 91 CO 0.02 -0.36 0.94 0.54 -0.00 0.00 0.00 176.95 178.08 1bcc n ARG 92 N 5.11 -5.73 -0.82 5.86 1.74 -1.26 -1.30 116.66 120.26 1bcc n ARG 92 Ca -0.11 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 1bcc n ARG 92 Cb 0.51 -5.47 0.00 0.00 -1.02 0.00 0.00 32.46 26.47 1bcc n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bcc n GLY 93 N -1.69 0.24 3.33 -0.13 0.00 -1.26 -4.97 105.19 100.72 1bcc n GLY 93 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 1bcc n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bcc s LYS 94 N -1.01 1.28 0.26 1.61 -0.14 -0.42 -5.11 119.74 116.20 1bcc s LYS 94 Ca 0.00 -1.42 -0.29 0.00 -1.36 0.00 0.00 55.97 52.90 1bcc s LYS 94 Cb 0.00 -1.33 -0.10 0.00 -1.68 0.00 0.00 37.83 34.73 1bcc s LYS 94 CO 0.00 0.27 1.27 -2.14 -0.76 0.00 0.00 175.35 173.99 1bcc s PRO 95 N -2.83 4.42 -0.24 -1.68 0.02 -1.26 -0.63 135.00 132.80 1bcc s PRO 95 Ca 0.16 2.07 -0.00 0.00 0.02 0.00 0.00 61.00 63.25 1bcc s PRO 95 Cb -0.06 -3.14 0.03 0.00 0.02 0.00 0.00 34.50 31.35 1bcc s PRO 95 CO 0.07 -0.14 -0.09 -1.17 -0.33 0.00 0.00 177.00 175.33 1bcc s LEU 96 N -1.00 3.10 -0.19 -5.54 2.96 0.17 0.19 118.68 118.37 1bcc s LEU 96 Ca 0.51 -0.97 -0.21 0.00 -0.22 0.00 0.00 54.13 53.25 1bcc s LEU 96 Cb -0.37 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 1bcc s LEU 96 CO 0.44 -0.13 0.62 -0.36 -1.32 0.00 0.00 176.35 175.60 1bcc s PHE 97 N 1.26 3.38 -0.25 5.38 0.08 0.14 -1.68 117.98 126.30 1bcc s PHE 97 Ca -0.01 0.92 -0.00 0.00 0.12 0.00 0.00 56.93 57.96 1bcc s PHE 97 Cb -0.17 -2.78 0.07 0.00 -0.57 0.00 0.00 43.02 39.57 1bcc s PHE 97 CO -0.06 -0.15 0.01 0.08 -0.10 0.00 0.00 175.22 175.00 1bcc s VAL 98 N 1.81 1.23 -0.05 -0.44 1.01 -0.83 -0.20 120.40 122.93 1bcc s VAL 98 Ca 0.28 -1.20 0.06 0.00 0.00 0.00 0.00 61.98 61.13 1bcc s VAL 98 Cb -0.16 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 1bcc s VAL 98 CO 0.11 -0.28 -0.23 -0.60 0.00 0.00 0.00 175.10 174.09 1bcc s ARG 99 N 1.51 2.49 -0.29 2.72 3.52 -0.61 -2.35 118.95 125.93 1bcc s ARG 99 Ca -0.00 -0.88 -0.19 0.00 -0.13 0.00 0.00 55.73 54.53 1bcc s ARG 99 Cb -0.18 -2.18 -0.01 0.00 -1.56 0.00 0.00 34.95 31.01 1bcc s ARG 99 CO -0.11 0.44 0.58 -1.58 -0.81 0.00 0.00 175.30 173.82 1bcc s HIS 100 N -0.30 3.23 0.03 5.12 5.65 -1.22 -2.00 115.29 125.81 1bcc s HIS 100 Ca 0.01 0.56 -0.14 0.00 0.25 0.00 0.00 55.06 55.74 1bcc s HIS 100 Cb -0.13 -2.88 -0.06 0.00 -1.18 0.00 0.00 32.58 28.33 1bcc s HIS 100 CO 0.02 -0.41 0.43 1.03 -0.65 0.00 0.00 174.74 175.16 1bcc s ARG 101 N 2.48 3.91 0.42 2.88 0.52 -1.08 0.09 118.95 128.16 1bcc s ARG 101 Ca 0.23 0.39 0.08 0.00 -0.52 0.00 0.00 55.73 55.91 1bcc s ARG 101 Cb -0.15 -3.15 0.01 0.00 0.52 0.00 0.00 34.95 32.18 1bcc s ARG 101 CO 0.11 0.64 0.56 0.95 0.02 0.00 0.00 175.30 177.58 1bcc s THR 102 N -1.18 2.95 0.25 0.02 -4.23 -1.26 -4.73 115.64 107.46 1bcc s THR 102 Ca 0.27 -1.03 -0.07 0.00 -1.18 0.00 0.00 61.69 59.69 1bcc s THR 102 Cb -0.16 -2.98 0.29 0.00 1.34 0.00 0.00 72.50 70.99 1bcc s THR 102 CO 0.15 0.00 1.63 0.50 -0.54 0.00 0.00 174.62 176.36 1bcc h LYS 103 N 0.66 0.09 -0.28 3.99 3.64 -1.99 0.54 116.57 123.22 1bcc h LYS 103 Ca -0.40 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.02 1bcc h LYS 103 Cb 1.28 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 1bcc h LYS 103 CO 0.46 0.06 0.04 -0.22 -2.27 0.00 0.00 179.45 177.52 1bcc h LYS 104 N 0.09 0.14 -0.10 1.90 3.64 -2.00 -2.05 116.57 118.19 1bcc h LYS 104 Ca 0.42 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.78 1bcc h LYS 104 Cb 0.75 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1bcc h LYS 104 CO -0.69 0.09 -0.01 0.93 -2.27 0.00 0.00 179.45 177.50 1bcc h GLU 105 N 0.14 0.18 0.00 1.90 5.08 -1.67 -3.22 114.58 116.99 1bcc h GLU 105 Ca 0.13 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1bcc h GLU 105 Cb 0.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1bcc h GLU 105 CO -0.19 0.46 0.00 -0.89 -1.00 0.00 0.00 179.01 177.40 1bcc n ILE 106 N -4.80 0.00 -0.24 3.13 5.41 0.08 -3.41 119.36 119.53 1bcc n ILE 106 Ca -0.06 1.07 0.05 0.00 1.00 0.00 0.00 62.75 64.80 1bcc n ILE 106 Cb 0.22 -1.97 0.17 0.00 -0.71 0.00 0.00 39.64 37.35 1bcc n ILE 106 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1bcc h ASP 107 N 0.00 0.14 -0.28 4.38 3.32 -1.56 -0.69 116.42 121.73 1bcc h ASP 107 Ca 0.00 0.12 0.08 0.00 0.02 0.00 0.00 57.03 57.25 1bcc h ASP 107 Cb 0.00 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1bcc h ASP 107 CO 0.00 0.04 0.23 -0.61 -1.72 0.00 0.00 179.24 177.18 1bcc h GLN 108 N 0.35 0.00 0.08 3.56 4.15 -1.69 -2.34 115.11 119.22 1bcc h GLN 108 Ca 0.40 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.55 1bcc h GLN 108 Cb 0.63 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1bcc h GLN 108 CO -0.44 0.00 -1.32 0.93 -1.93 0.00 0.00 178.83 176.07 1bcc h GLU 109 N 0.00 0.17 0.00 1.69 4.39 -1.14 -3.38 114.58 116.30 1bcc h GLU 109 Ca 0.13 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1bcc h GLU 109 Cb 0.59 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1bcc h GLU 109 CO -0.00 1.06 0.00 0.00 -1.16 0.00 0.00 179.01 178.91 1bcc h ALA 110 N 0.70 1.00 0.00 3.43 0.00 -1.22 -3.38 119.26 119.80 1bcc h ALA 110 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1bcc h ALA 110 Cb 1.94 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 1bcc h ALA 110 CO 0.16 0.00 -0.87 0.00 0.00 0.00 0.00 179.25 178.54 1bcc h ALA 111 N 2.16 0.60 -2.55 0.00 0.00 -1.73 -3.48 119.26 114.26 1bcc h ALA 111 Ca 0.00 -0.70 -0.49 0.00 0.00 0.00 0.00 54.91 53.72 1bcc h ALA 111 Cb 0.83 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.66 1bcc h ALA 111 CO 0.00 0.88 0.43 0.08 0.00 0.00 0.00 179.25 180.65 1bcc s VAL 112 N -2.88 3.53 0.04 0.00 1.01 -1.26 -5.00 120.40 115.84 1bcc s VAL 112 Ca 0.01 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.84 1bcc s VAL 112 Cb 0.08 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1bcc s VAL 112 CO 0.78 -0.02 1.25 -0.70 0.00 0.00 0.00 175.10 176.41 1bcc s GLU 113 N -2.62 4.38 0.22 2.72 -6.30 -1.26 -4.98 118.70 110.86 1bcc s GLU 113 Ca 0.60 1.82 -0.07 0.00 -2.50 0.00 0.00 54.97 54.82 1bcc s GLU 113 Cb -0.24 -3.40 0.31 0.00 0.00 0.00 0.00 34.13 30.80 1bcc s GLU 113 CO 0.29 -0.36 1.81 0.28 0.02 0.00 0.00 175.26 177.30 1bcc h VAL 114 N 4.62 0.94 0.00 3.70 2.07 -1.94 -2.34 116.25 123.30 1bcc h VAL 114 Ca -0.40 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1bcc h VAL 114 Cb 1.20 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1bcc h VAL 114 CO 0.84 0.13 0.00 -1.54 0.02 0.00 0.00 177.57 177.03 1bcc n SER 115 N -4.77 0.00 0.01 0.57 3.41 -1.26 -2.30 113.62 109.29 1bcc n SER 115 Ca 0.11 -0.78 0.11 0.00 -0.26 0.00 0.00 58.87 58.04 1bcc n SER 115 Cb 0.22 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1bcc n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bcc n GLN 116 N -0.90 0.24 -3.31 4.33 1.13 -0.88 -4.98 117.38 113.01 1bcc n GLN 116 Ca 0.13 -0.03 -0.31 0.00 -1.94 0.00 0.00 57.00 54.85 1bcc n GLN 116 Cb 0.06 -1.55 -0.04 0.00 0.11 0.00 0.00 30.24 28.81 1bcc n GLN 116 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1bcc s LEU 117 N -3.69 4.09 0.25 1.08 1.43 -0.97 -5.00 118.68 115.87 1bcc s LEU 117 Ca 0.04 0.90 0.08 0.00 -1.03 0.00 0.00 54.13 54.12 1bcc s LEU 117 Cb 0.15 -3.69 0.29 0.00 0.03 0.00 0.00 46.19 42.96 1bcc s LEU 117 CO 0.82 -0.16 1.57 -0.09 0.23 0.00 0.00 176.35 178.73 1bcc h ARG 118 N 2.11 0.10 -3.08 1.70 2.43 -1.88 -3.28 114.38 112.47 1bcc h ARG 118 Ca -0.47 -0.07 -0.62 0.00 -0.81 0.00 0.00 59.98 58.01 1bcc h ARG 118 Cb 1.18 0.01 -0.41 0.00 -0.42 0.00 0.00 29.97 30.33 1bcc h ARG 118 CO 0.67 0.70 -0.62 0.34 -1.51 0.00 0.00 179.97 179.55 1bcc s ASP 119 N -6.87 4.43 -0.38 -3.80 2.15 -1.26 -4.96 116.67 105.98 1bcc s ASP 119 Ca -0.02 -3.58 -0.31 0.00 0.43 0.00 0.00 52.55 49.07 1bcc s ASP 119 Cb 0.12 -1.52 -0.09 0.00 -0.30 0.00 0.00 42.92 41.13 1bcc s ASP 119 CO 0.78 -0.13 2.29 -0.81 -0.17 0.00 0.00 175.17 177.13 1bcc n PRO 120 N 2.32 1.28 -3.68 4.34 -0.04 -1.24 -4.82 135.00 133.17 1bcc n PRO 120 Ca 0.17 0.28 -0.10 0.00 -0.04 0.00 0.00 63.50 63.81 1bcc n PRO 120 Cb 0.35 -2.87 -0.11 0.00 -0.04 0.00 0.00 33.50 30.84 1bcc n PRO 120 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1bcc s GLN 121 N 6.92 0.33 -0.31 0.54 -0.21 -1.26 -5.00 119.66 120.66 1bcc s GLN 121 Ca 1.06 0.86 -0.29 0.00 0.02 0.00 0.00 55.36 57.01 1bcc s GLN 121 Cb -0.56 0.10 0.01 0.00 1.00 0.00 0.00 33.01 33.56 1bcc s GLN 121 CO 0.39 -0.21 1.13 -1.58 -2.12 0.00 0.00 175.29 172.90 1bcc s HIS 122 N 1.94 3.04 0.38 0.91 5.65 -1.26 -4.87 115.29 121.09 1bcc s HIS 122 Ca -0.06 1.12 0.14 0.00 0.25 0.00 0.00 55.06 56.51 1bcc s HIS 122 Cb -0.10 -3.74 0.97 0.00 -1.18 0.00 0.00 32.58 28.52 1bcc s HIS 122 CO -0.12 -0.99 1.84 0.22 -0.65 0.00 0.00 174.74 175.04 1bcc h ASP 123 N 8.34 0.53 0.23 9.88 3.58 -1.93 0.63 116.42 137.68 1bcc h ASP 123 Ca -0.22 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1bcc h ASP 123 Cb 1.07 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1bcc h ASP 123 CO 1.03 0.21 0.00 0.18 -2.88 0.00 0.00 179.24 177.78 1bcc n LEU 124 N -4.58 0.00 -0.46 2.28 4.77 -1.26 -1.18 117.00 116.57 1bcc n LEU 124 Ca 0.20 0.14 0.08 0.00 -0.03 0.00 0.00 56.01 56.40 1bcc n LEU 124 Cb 0.65 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1bcc n LEU 124 CO 0.28 -0.02 0.34 -1.84 -1.33 0.00 0.00 177.39 174.82 1bcc n GLU 125 N -1.14 1.57 0.00 3.23 0.28 0.21 -4.18 120.64 120.62 1bcc n GLU 125 Ca 0.16 -1.03 0.05 0.00 -0.16 0.00 0.00 57.16 56.18 1bcc n GLU 125 Cb 0.15 -1.29 -0.03 0.00 1.43 0.00 0.00 31.44 31.70 1bcc n GLU 125 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1bcc n ARG 126 N 0.22 2.67 -4.24 3.44 1.74 -0.32 -4.98 116.66 115.19 1bcc n ARG 126 Ca 0.08 -0.35 -0.18 0.00 -0.77 0.00 0.00 57.85 56.62 1bcc n ARG 126 Cb 0.36 -1.07 -0.11 0.00 -1.02 0.00 0.00 32.46 30.62 1bcc n ARG 126 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1bcc s VAL 127 N -1.72 1.35 -0.26 1.55 -7.23 -0.62 -5.01 120.40 108.47 1bcc s VAL 127 Ca 0.07 -1.71 -0.14 0.00 -1.81 0.00 0.00 61.98 58.39 1bcc s VAL 127 Cb 0.09 -1.53 -0.15 0.00 0.56 0.00 0.00 36.38 35.35 1bcc s VAL 127 CO 0.35 -0.40 -0.20 0.29 -0.31 0.00 0.00 175.10 174.83 1bcc n LYS 128 N 0.56 0.60 -4.93 4.82 5.02 -1.26 -4.90 118.16 118.05 1bcc n LYS 128 Ca -0.16 0.31 -0.28 0.00 -2.02 0.00 0.00 58.31 56.16 1bcc n LYS 128 Cb 0.57 -1.55 -0.17 0.00 -0.02 0.00 0.00 35.03 33.86 1bcc n LYS 128 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1bcc s LYS 129 N -2.48 2.32 0.28 1.97 1.02 -1.26 -5.06 119.74 116.52 1bcc s LYS 129 Ca -0.36 -0.67 -0.00 0.00 0.02 0.00 0.00 55.97 54.96 1bcc s LYS 129 Cb 0.12 -1.85 0.50 0.00 -0.52 0.00 0.00 37.83 36.08 1bcc s LYS 129 CO 0.53 0.15 1.86 -1.35 -0.92 0.00 0.00 175.35 175.62 1bcc h PRO 130 N 6.68 1.04 -0.00 -1.68 0.11 -2.01 -1.91 132.00 134.23 1bcc h PRO 130 Ca -0.26 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1bcc h PRO 130 Cb 1.21 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1bcc h PRO 130 CO 0.47 0.69 0.00 -0.85 -0.21 0.00 0.00 178.00 178.10 1bcc n GLU 131 N -4.56 1.04 -4.33 1.05 0.00 -1.26 -4.66 120.64 107.92 1bcc n GLU 131 Ca 0.17 -0.06 -0.29 0.00 0.00 0.00 0.00 57.16 56.98 1bcc n GLU 131 Cb 0.28 -1.45 -0.17 0.00 0.00 0.00 0.00 31.44 30.11 1bcc n GLU 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1bcc s TRP 132 N -2.00 2.06 -0.15 -1.84 0.23 -0.72 -2.64 118.94 113.88 1bcc s TRP 132 Ca 0.43 -1.03 0.01 0.00 -2.03 0.00 0.00 56.10 53.48 1bcc s TRP 132 Cb 0.20 -1.49 0.01 0.00 0.03 0.00 0.00 33.47 32.21 1bcc s TRP 132 CO 0.33 -0.54 -0.19 0.54 0.96 0.00 0.00 176.95 178.05 1bcc s VAL 133 N 1.14 2.30 -0.24 4.03 0.11 -0.85 -4.62 120.40 122.27 1bcc s VAL 133 Ca -0.03 -0.89 0.02 0.00 -2.93 0.00 0.00 61.98 58.15 1bcc s VAL 133 Cb -0.14 -1.94 0.05 0.00 -1.53 0.00 0.00 36.38 32.82 1bcc s VAL 133 CO -0.04 0.53 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.53 1bcc s ILE 134 N 0.87 1.91 0.12 7.04 1.01 -1.24 -1.57 121.20 129.34 1bcc s ILE 134 Ca -0.05 -1.38 0.05 0.00 0.00 0.00 0.00 60.65 59.27 1bcc s ILE 134 Cb -0.15 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 1bcc s ILE 134 CO -0.02 0.03 -0.12 -0.76 0.00 0.00 0.00 174.94 174.07 1bcc s LEU 135 N 1.24 2.45 -0.23 2.97 1.43 0.72 -4.52 118.68 122.74 1bcc s LEU 135 Ca -0.06 -0.88 -0.26 0.00 -1.03 0.00 0.00 54.13 51.91 1bcc s LEU 135 Cb -0.19 -0.42 -0.00 0.00 0.03 0.00 0.00 46.19 45.62 1bcc s LEU 135 CO -0.06 -0.24 0.89 -0.63 0.23 0.00 0.00 176.35 176.54 1bcc s ILE 136 N -2.60 4.80 0.00 -0.59 -1.09 0.41 -0.68 121.20 121.44 1bcc s ILE 136 Ca 0.10 1.71 -0.02 0.00 -2.23 0.00 0.00 60.65 60.22 1bcc s ILE 136 Cb -0.02 -4.18 -0.08 0.00 -1.58 0.00 0.00 42.46 36.61 1bcc s ILE 136 CO 0.01 -0.09 1.75 0.61 -1.23 0.00 0.00 174.94 176.00 1bcc n GLY 137 N 3.58 1.93 2.79 6.18 0.00 0.50 -4.47 105.19 115.72 1bcc n GLY 137 Ca 0.07 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 1bcc n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bcc s VAL 138 N 1.27 0.41 0.31 1.61 1.01 -1.26 -4.35 120.40 119.40 1bcc s VAL 138 Ca 0.19 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 1bcc s VAL 138 Cb 0.09 -0.54 -0.11 0.00 0.00 0.00 0.00 36.38 35.82 1bcc s VAL 138 CO 0.00 0.25 1.51 0.00 0.00 0.00 0.00 175.10 176.86 1bcc n THR 140 N 1.58 0.53 0.00 0.00 -2.24 -1.26 -2.64 114.28 110.24 1bcc n THR 140 Ca 0.05 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1bcc n THR 140 Cb 0.39 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 1bcc n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1bcc n HIS 141 N -1.34 0.00 -2.60 4.78 -0.00 -1.26 -4.37 115.22 110.43 1bcc n HIS 141 Ca 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.75 1bcc n HIS 141 Cb 0.16 -0.36 0.05 0.00 -0.00 0.00 0.00 29.99 29.84 1bcc n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1bcc n LEU 142 N -1.58 2.22 -0.19 0.27 4.77 -1.26 -4.93 117.00 116.30 1bcc n LEU 142 Ca 0.00 -3.29 -0.02 0.00 -0.03 0.00 0.00 56.01 52.67 1bcc n LEU 142 Cb 0.00 0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1bcc n LEU 142 CO 0.00 1.20 -0.02 0.61 -1.33 0.00 0.00 177.39 177.85 1bcc n GLY 143 N -0.52 0.55 3.94 -0.72 0.00 -1.08 -5.03 105.19 102.33 1bcc n GLY 143 Ca 0.15 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1bcc n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bcc s VAL 145 N -3.73 3.93 0.58 0.00 1.01 -1.26 0.96 120.40 121.87 1bcc s VAL 145 Ca 0.72 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 1bcc s VAL 145 Cb -0.04 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1bcc s VAL 145 CO 0.51 0.22 1.08 -2.84 0.00 0.00 0.00 175.10 174.07 1bcc s PRO 146 N 1.52 3.29 -0.14 2.72 0.02 -1.26 -4.55 135.00 136.59 1bcc s PRO 146 Ca 0.04 1.37 -0.07 0.00 0.02 0.00 0.00 61.00 62.36 1bcc s PRO 146 Cb -0.16 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.30 1bcc s PRO 146 CO 0.02 -0.86 0.10 0.42 -0.33 0.00 0.00 177.00 176.35 1bcc s ILE 147 N -2.18 5.17 0.44 2.83 1.01 0.57 -4.78 121.20 124.26 1bcc s ILE 147 Ca 0.67 0.09 -0.23 0.00 0.00 0.00 0.00 60.65 61.18 1bcc s ILE 147 Cb -0.19 -3.28 -0.08 0.00 0.01 0.00 0.00 42.46 38.92 1bcc s ILE 147 CO 0.33 0.55 1.12 0.00 0.00 0.00 0.00 174.94 176.93 1bcc s ALA 148 N -0.43 3.02 -1.56 9.38 0.00 -1.26 -2.32 121.76 128.59 1bcc s ALA 148 Ca 0.11 0.84 -0.03 0.00 0.00 0.00 0.00 51.96 52.88 1bcc s ALA 148 Cb -0.12 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.67 1bcc s ALA 148 CO 0.02 -0.47 0.27 0.09 0.00 0.00 0.00 175.76 175.67 1bcc n ASN 149 N -0.33 -5.55 -4.14 0.00 3.02 -1.08 -4.98 115.26 102.20 1bcc n ASN 149 Ca 0.06 -0.12 -0.10 0.00 -0.03 0.00 0.00 54.58 54.39 1bcc n ASN 149 Cb 0.49 -4.57 -0.09 0.00 -0.61 0.00 0.00 39.78 34.99 1bcc n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bcc s ALA 150 N -3.03 0.83 0.00 5.41 0.00 -1.23 -4.94 121.76 118.80 1bcc s ALA 150 Ca 0.15 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1bcc s ALA 150 Cb -0.07 1.07 0.00 0.00 0.00 0.00 0.00 23.12 24.12 1bcc s ALA 150 CO 0.19 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1bcc n GLY 151 N -0.18 0.84 0.00 0.00 0.00 -1.26 -3.24 105.19 101.35 1bcc n GLY 151 Ca -0.03 -2.08 0.11 0.00 0.00 0.00 0.00 46.02 44.02 1bcc n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bcc n ASP 152 N 0.00 0.00 -0.76 1.61 8.00 -1.26 -3.51 116.55 120.62 1bcc n ASP 152 Ca 0.00 0.07 0.05 0.00 0.71 0.00 0.00 54.79 55.62 1bcc n ASP 152 Cb 0.00 -0.32 0.11 0.00 -0.02 0.00 0.00 41.12 40.89 1bcc n ASP 152 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1bcc n PHE 153 N -1.32 0.00 -2.65 1.24 3.01 -1.26 -5.03 117.46 111.44 1bcc n PHE 153 Ca 0.09 -0.90 -0.09 0.00 1.01 0.00 0.00 57.45 57.56 1bcc n PHE 153 Cb 0.19 -0.17 -0.01 0.00 -0.01 0.00 0.00 39.48 39.48 1bcc n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bcc n GLY 154 N -0.53 -0.49 0.00 1.37 0.00 -1.23 -3.24 105.19 101.06 1bcc n GLY 154 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1bcc n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bcc n GLY 155 N -0.72 0.43 3.02 -0.02 0.00 -1.20 -4.38 105.19 102.32 1bcc n GLY 155 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1bcc n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bcc s TYR 156 N 0.00 0.20 -0.05 1.61 1.51 -1.12 -2.63 117.35 116.86 1bcc s TYR 156 Ca 0.00 -0.42 -0.02 0.00 -1.01 0.00 0.00 57.07 55.62 1bcc s TYR 156 Cb 0.00 -0.15 0.04 0.00 -0.11 0.00 0.00 41.96 41.74 1bcc s TYR 156 CO 0.00 -0.23 0.10 -0.47 -1.11 0.00 0.00 175.55 173.85 1bcc s TYR 157 N -1.50 -0.07 -0.51 2.71 5.04 -0.98 -0.20 117.35 121.84 1bcc s TYR 157 Ca -0.15 0.38 -0.20 0.00 -2.44 0.00 0.00 57.07 54.66 1bcc s TYR 157 Cb -0.09 -0.24 0.06 0.00 0.35 0.00 0.00 41.96 42.03 1bcc s TYR 157 CO -0.00 -0.18 0.66 0.00 -1.34 0.00 0.00 175.55 174.69 1bcc n PRO 159 N 6.30 0.02 -0.11 0.00 -0.04 -1.26 -1.73 135.00 138.18 1bcc n PRO 159 Ca -0.06 0.45 -0.10 0.00 -0.04 0.00 0.00 63.50 63.75 1bcc n PRO 159 Cb 0.46 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 1bcc n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bcc n HIS 161 N -4.63 0.00 -2.06 0.00 8.25 -1.25 -5.06 115.22 110.47 1bcc n HIS 161 Ca -0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.38 1bcc n HIS 161 Cb 0.20 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.31 1bcc n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bcc n GLY 162 N 0.00 0.17 3.67 -1.41 0.00 -0.71 -4.68 105.19 102.23 1bcc n GLY 162 Ca 0.00 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 1bcc n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bcc s SER 163 N -2.75 6.90 -0.15 1.61 0.01 -0.79 -3.90 113.70 114.64 1bcc s SER 163 Ca 0.00 1.87 -0.06 0.00 1.31 0.00 0.00 55.95 59.07 1bcc s SER 163 Cb 0.00 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 1bcc s SER 163 CO 0.00 -0.75 0.05 -1.00 0.41 0.00 0.00 173.24 171.96 1bcc s HIS 164 N 3.14 3.27 0.18 2.43 0.09 0.60 0.06 115.29 125.06 1bcc s HIS 164 Ca 0.59 0.14 0.08 0.00 -0.00 0.00 0.00 55.06 55.88 1bcc s HIS 164 Cb -0.26 -1.99 -0.04 0.00 -0.00 0.00 0.00 32.58 30.29 1bcc s HIS 164 CO 0.20 0.30 -0.17 0.71 -0.00 0.00 0.00 174.74 175.79 1bcc s TYR 165 N -0.12 1.79 0.74 1.40 1.51 0.72 -0.74 117.35 122.64 1bcc s TYR 165 Ca 0.07 -0.50 -0.02 0.00 -1.01 0.00 0.00 57.07 55.61 1bcc s TYR 165 Cb -0.12 -0.86 0.13 0.00 -0.11 0.00 0.00 41.96 41.00 1bcc s TYR 165 CO 0.01 0.35 1.02 0.16 -1.11 0.00 0.00 175.55 175.99 1bcc s ASP 166 N -2.93 4.25 0.00 2.29 1.47 -0.49 -2.79 116.67 118.46 1bcc s ASP 166 Ca 0.19 -0.34 0.10 0.00 1.18 0.00 0.00 52.55 53.68 1bcc s ASP 166 Cb -0.04 -0.00 0.62 0.00 -0.34 0.00 0.00 42.92 43.16 1bcc s ASP 166 CO 0.07 -1.94 1.04 0.00 0.68 0.00 0.00 175.17 175.03 1bcc n ALA 167 N -2.90 1.97 0.62 2.11 0.00 -1.20 -0.17 120.51 120.94 1bcc n ALA 167 Ca 0.15 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.60 1bcc n ALA 167 Cb 0.61 -1.17 0.01 0.00 0.00 0.00 0.00 19.45 18.90 1bcc n ALA 167 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bcc n SER 168 N -0.90 1.66 0.00 0.00 2.88 -1.26 -4.97 113.62 111.03 1bcc n SER 168 Ca 0.08 -1.33 0.00 0.00 -1.33 0.00 0.00 58.87 56.29 1bcc n SER 168 Cb 0.04 0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1bcc n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bcc n GLY 169 N 1.01 0.45 3.82 0.46 0.00 0.76 -4.97 105.19 106.73 1bcc n GLY 169 Ca 0.06 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 1bcc n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bcc s ARG 170 N -1.37 4.09 0.02 1.61 0.52 -1.26 -1.05 118.95 121.51 1bcc s ARG 170 Ca 0.00 0.61 -0.30 0.00 -0.52 0.00 0.00 55.73 55.52 1bcc s ARG 170 Cb 0.00 -3.20 -0.06 0.00 0.52 0.00 0.00 34.95 32.21 1bcc s ARG 170 CO 0.00 0.64 1.42 -1.50 0.02 0.00 0.00 175.30 175.88 1bcc s ILE 171 N -1.14 3.62 0.00 1.52 1.10 -1.26 -1.39 121.20 123.65 1bcc s ILE 171 Ca 0.28 1.04 0.00 0.00 -0.51 0.00 0.00 60.65 61.46 1bcc s ILE 171 Cb -0.18 -3.67 0.00 0.00 0.15 0.00 0.00 42.46 38.76 1bcc s ILE 171 CO 0.17 0.01 0.00 0.54 -2.11 0.00 0.00 174.94 173.55 1bcc n ARG 172 N 5.23 0.00 -4.26 3.50 5.12 0.08 -4.74 116.66 121.60 1bcc n ARG 172 Ca 0.13 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.83 1bcc n ARG 172 Cb 0.43 -0.57 -0.12 0.00 -1.16 0.00 0.00 32.46 31.04 1bcc n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1bcc s LYS 173 N -1.93 1.04 0.00 5.56 2.20 -0.91 -4.94 119.74 120.76 1bcc s LYS 173 Ca 0.00 -1.11 0.00 0.00 -0.36 0.00 0.00 55.97 54.50 1bcc s LYS 173 Cb 0.00 -1.23 0.00 0.00 -1.51 0.00 0.00 37.83 35.09 1bcc s LYS 173 CO 0.00 0.28 0.00 0.41 -0.36 0.00 0.00 175.35 175.68 1bcc n GLY 174 N 1.10 1.49 0.07 5.54 0.00 -1.25 0.22 105.19 112.36 1bcc n GLY 174 Ca -0.20 -1.80 0.07 0.00 0.00 0.00 0.00 46.02 44.09 1bcc n GLY 174 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bcc n PRO 175 N 1.41 0.07 -1.33 1.61 -0.04 -1.26 -4.81 135.00 130.65 1bcc n PRO 175 Ca 0.00 0.47 -0.58 0.00 -0.04 0.00 0.00 63.50 63.35 1bcc n PRO 175 Cb 0.00 -1.69 -0.11 0.00 -0.04 0.00 0.00 33.50 31.66 1bcc n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bcc n ALA 176 N -1.63 0.38 -0.13 0.55 0.00 -1.26 -4.81 120.51 113.61 1bcc n ALA 176 Ca 0.01 0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1bcc n ALA 176 Cb 0.09 -2.20 0.45 0.00 0.00 0.00 0.00 19.45 17.79 1bcc n ALA 176 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1bcc h PRO 177 N 9.69 0.51 0.00 0.00 0.13 -1.88 -3.46 132.00 137.00 1bcc h PRO 177 Ca -0.17 -0.03 -0.51 0.00 -0.87 0.00 0.00 66.00 64.42 1bcc h PRO 177 Cb 1.39 -0.12 -0.12 0.00 0.13 0.00 0.00 31.00 32.28 1bcc h PRO 177 CO 1.06 0.34 -0.46 1.28 -0.23 0.00 0.00 178.00 179.99 1bcc n LEU 178 N -4.48 0.00 -4.87 1.56 4.77 -1.26 -4.42 117.00 108.29 1bcc n LEU 178 Ca 0.11 -3.12 -0.31 0.00 -0.03 0.00 0.00 56.01 52.67 1bcc n LEU 178 Cb 0.35 1.34 -0.01 0.00 -2.33 0.00 0.00 43.42 42.76 1bcc n LEU 178 CO 0.33 -0.50 0.62 0.20 -1.33 0.00 0.00 177.39 176.71 1bcc s ASN 179 N -3.40 6.40 0.29 -1.43 0.01 -1.26 -4.43 114.94 111.13 1bcc s ASN 179 Ca 0.30 1.34 -0.29 0.00 -0.71 0.00 0.00 52.86 53.50 1bcc s ASN 179 Cb 0.01 -2.42 -0.13 0.00 0.41 0.00 0.00 41.25 39.12 1bcc s ASN 179 CO 0.21 -0.66 1.27 0.18 -1.51 0.00 0.00 177.10 176.59 1bcc n LEU 180 N -2.09 3.01 -4.77 0.60 4.77 -0.22 -4.82 117.00 113.49 1bcc n LEU 180 Ca 0.05 1.18 -0.39 0.00 -0.03 0.00 0.00 56.01 56.81 1bcc n LEU 180 Cb 0.54 -1.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.20 1bcc n LEU 180 CO 0.52 -0.68 0.93 -0.70 -1.33 0.00 0.00 177.39 176.13 1bcc s GLU 181 N -1.27 4.03 -0.27 3.23 2.12 -1.26 -4.83 118.70 120.45 1bcc s GLU 181 Ca 0.61 2.07 -0.06 0.00 0.36 0.00 0.00 54.97 57.95 1bcc s GLU 181 Cb -0.63 -2.77 0.00 0.00 0.26 0.00 0.00 34.13 30.99 1bcc s GLU 181 CO 0.57 -0.41 0.05 0.08 -0.54 0.00 0.00 175.26 175.02 1bcc s VAL 182 N -1.29 3.89 0.74 3.70 1.01 -1.26 -0.45 120.40 126.75 1bcc s VAL 182 Ca 0.56 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 1bcc s VAL 182 Cb -0.36 -2.94 0.05 0.00 0.00 0.00 0.00 36.38 33.13 1bcc s VAL 182 CO 0.46 0.18 1.23 -2.16 0.00 0.00 0.00 175.10 174.81 1bcc s PRO 183 N 1.51 2.01 0.13 2.72 0.04 -1.26 -4.97 135.00 135.18 1bcc s PRO 183 Ca 0.04 1.84 -0.31 0.00 0.04 0.00 0.00 61.00 62.60 1bcc s PRO 183 Cb -0.16 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 1bcc s PRO 183 CO 0.02 -1.95 1.36 0.45 0.04 0.00 0.00 177.00 176.91 1bcc s SER 184 N -1.93 6.86 0.03 6.66 0.15 -1.26 -4.93 113.70 119.27 1bcc s SER 184 Ca 0.76 2.32 -0.04 0.00 0.70 0.00 0.00 55.95 59.69 1bcc s SER 184 Cb -0.31 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.42 1bcc s SER 184 CO 0.46 -0.61 0.19 0.00 1.20 0.00 0.00 173.24 174.49 1bcc n TYR 185 N 3.63 -0.61 -3.76 3.44 4.11 -1.26 -0.71 117.16 122.00 1bcc n TYR 185 Ca 0.10 -0.21 -0.02 0.00 -0.00 0.00 0.00 57.90 57.78 1bcc n TYR 185 Cb 0.43 0.10 -0.00 0.00 -0.00 0.00 0.00 39.34 39.86 1bcc n TYR 185 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.86 175.03 1bcc s GLU 186 N -2.01 0.98 -0.00 -3.48 -1.05 -1.12 -4.98 118.70 107.04 1bcc s GLU 186 Ca 0.04 -0.57 -0.02 0.00 -0.15 0.00 0.00 54.97 54.27 1bcc s GLU 186 Cb -0.00 0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 33.96 1bcc s GLU 186 CO 0.01 -0.45 0.17 -0.06 0.95 0.00 0.00 175.26 175.88 1bcc s PHE 187 N -2.74 3.52 -0.06 4.83 0.08 -1.26 -2.38 117.98 119.96 1bcc s PHE 187 Ca 0.16 0.33 0.18 0.00 0.12 0.00 0.00 56.93 57.72 1bcc s PHE 187 Cb -0.00 -1.81 -0.27 0.00 -0.57 0.00 0.00 43.02 40.37 1bcc s PHE 187 CO 0.01 0.63 0.32 0.25 -0.10 0.00 0.00 175.22 176.34 1bcc n THR 188 N 0.92 0.31 -3.91 0.64 -2.24 -0.67 -4.86 114.28 104.46 1bcc n THR 188 Ca -0.11 -0.51 0.01 0.00 -2.27 0.00 0.00 64.05 61.18 1bcc n THR 188 Cb 0.52 -0.08 0.01 0.00 -2.10 0.00 0.00 70.33 68.68 1bcc n THR 188 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1bcc n SER 189 N -2.28 -0.73 0.25 3.42 3.41 -0.73 -4.90 113.62 112.07 1bcc n SER 189 Ca -0.10 -1.19 0.08 0.00 -0.26 0.00 0.00 58.87 57.40 1bcc n SER 189 Cb 0.64 1.14 0.62 0.00 -0.26 0.00 0.00 64.21 66.34 1bcc n SER 189 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1bcc h ASP 190 N 1.14 0.00 -0.00 4.04 2.03 -2.02 -3.04 116.42 118.56 1bcc h ASP 190 Ca -0.13 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.17 1bcc h ASP 190 Cb 0.67 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.17 1bcc h ASP 190 CO 0.18 0.11 0.00 -0.90 -1.03 0.00 0.00 179.24 177.60 1bcc n ASP 191 N -4.21 1.17 -4.33 4.15 5.75 -1.26 -4.78 116.55 113.04 1bcc n ASP 191 Ca -0.03 -1.11 -0.31 0.00 -0.01 0.00 0.00 54.79 53.34 1bcc n ASP 191 Cb 0.19 -0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.12 1bcc n ASP 191 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1bcc s MET 192 N -0.16 1.94 -0.06 0.11 -1.94 -1.15 0.91 119.30 118.95 1bcc s MET 192 Ca 0.02 -1.03 -0.04 0.00 -1.71 0.00 0.00 55.69 52.93 1bcc s MET 192 Cb 0.01 -2.01 0.02 0.00 2.01 0.00 0.00 34.83 34.87 1bcc s MET 192 CO 0.02 0.53 0.14 0.54 -0.01 0.00 0.00 175.02 176.24 1bcc s VAL 193 N -0.72 -0.02 -0.19 -6.03 0.11 -0.31 -1.67 120.40 111.57 1bcc s VAL 193 Ca 0.11 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 1bcc s VAL 193 Cb -0.10 -0.22 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1bcc s VAL 193 CO 0.01 0.03 -0.18 -0.63 -3.33 0.00 0.00 175.10 171.00 1bcc s ILE 194 N 0.55 2.24 -0.09 7.04 1.01 -1.00 0.11 121.20 131.06 1bcc s ILE 194 Ca -0.04 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 1bcc s ILE 194 Cb -0.06 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 1bcc s ILE 194 CO -0.03 0.52 0.12 -0.69 0.00 0.00 0.00 174.94 174.87 1bcc s VAL 195 N 1.32 5.23 0.00 2.92 1.01 0.02 -2.79 120.40 128.11 1bcc s VAL 195 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1bcc s VAL 195 Cb -0.13 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1bcc s VAL 195 CO -0.12 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.14