#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bic s HIS 4 N 0.00 3.47 0.56 1.57 5.04 -1.26 -5.04 115.29 119.63 1bic s HIS 4 Ca 0.00 0.68 -0.21 0.00 -1.54 0.00 0.00 55.06 53.99 1bic s HIS 4 Cb 0.00 -2.10 -0.05 0.00 0.04 0.00 0.00 32.58 30.47 1bic s HIS 4 CO 0.00 0.39 1.23 -2.67 -2.34 0.00 0.00 174.74 171.35 1bic n TRP 5 N 0.11 1.81 -1.30 3.88 4.27 -1.26 -4.87 117.44 120.08 1bic n TRP 5 Ca -0.02 0.44 0.00 0.00 -3.89 0.00 0.00 57.50 54.03 1bic n TRP 5 Cb 0.52 -2.29 0.00 0.00 -1.36 0.00 0.00 31.31 28.18 1bic n TRP 5 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1bic n GLY 6 N 0.94 3.21 0.13 -1.67 0.00 -0.32 -5.03 105.19 102.45 1bic n GLY 6 Ca 0.12 -0.53 0.07 0.00 0.00 0.00 0.00 46.02 45.67 1bic n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bic n TYR 7 N 0.00 0.00 -2.39 1.61 4.01 -1.26 -3.77 117.16 115.36 1bic n TYR 7 Ca 0.00 -0.75 -0.17 0.00 -0.16 0.00 0.00 57.90 56.82 1bic n TYR 7 Cb 0.00 -0.12 0.09 0.00 -0.31 0.00 0.00 39.34 39.01 1bic n TYR 7 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bic n GLY 8 N -1.05 0.40 0.28 2.72 0.00 -1.26 -4.72 105.19 101.56 1bic n GLY 8 Ca 0.11 -1.97 -0.04 0.00 0.00 0.00 0.00 46.02 44.12 1bic n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1bic h LYS 9 N 0.00 0.88 0.00 1.61 1.63 -1.97 0.48 116.57 119.20 1bic h LYS 9 Ca -0.24 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 1bic h LYS 9 Cb 0.87 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 1bic h LYS 9 CO 0.25 0.59 -0.81 0.72 -3.45 0.00 0.00 179.45 176.75 1bic n HIS 10 N -4.63 0.00 -1.42 1.91 8.25 -1.26 -4.50 115.22 113.56 1bic n HIS 10 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1bic n HIS 10 Cb 0.06 -0.10 0.01 0.00 1.12 0.00 0.00 29.99 31.08 1bic n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1bic n ASN 11 N -1.50 0.19 -3.92 0.41 6.94 -1.17 -4.74 115.26 111.47 1bic n ASN 11 Ca 0.05 -1.60 -0.30 0.00 -0.02 0.00 0.00 54.58 52.71 1bic n ASN 11 Cb 0.33 -0.11 0.22 0.00 -2.36 0.00 0.00 39.78 37.86 1bic n ASN 11 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1bic s GLY 12 N -0.63 1.64 0.44 4.83 0.00 0.15 -1.18 107.32 112.57 1bic s GLY 12 Ca 0.01 -1.01 0.27 0.00 0.00 0.00 0.00 44.72 43.99 1bic s GLY 12 CO 0.00 -0.16 1.69 -2.55 0.00 0.00 0.00 173.10 172.08 1bic h PRO 13 N -2.30 0.18 0.00 2.90 0.11 -1.83 0.13 132.00 131.18 1bic h PRO 13 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1bic h PRO 13 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1bic h PRO 13 CO 0.36 0.12 0.00 0.39 -0.21 0.00 0.00 178.00 178.65 1bic n GLU 14 N -4.60 0.20 0.00 1.05 -0.58 -1.26 -2.44 120.64 113.01 1bic n GLU 14 Ca 0.32 0.47 0.08 0.00 -0.42 0.00 0.00 57.16 57.60 1bic n GLU 14 Cb 1.24 -1.91 -0.04 0.00 -0.57 0.00 0.00 31.44 30.16 1bic n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1bic n HIS 15 N -2.29 0.00 -0.07 -0.32 8.25 0.44 -4.65 115.22 116.59 1bic n HIS 15 Ca 0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.50 1bic n HIS 15 Cb 0.20 0.00 0.35 0.00 1.12 0.00 0.00 29.99 31.66 1bic n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1bic h TRP 16 N 0.99 0.66 -0.34 4.41 6.55 -1.41 -2.90 115.95 123.91 1bic h TRP 16 Ca 0.00 0.00 0.10 0.00 0.95 0.00 0.00 58.89 59.94 1bic h TRP 16 Cb 0.47 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 28.53 1bic h TRP 16 CO 0.00 0.45 0.31 1.12 -1.05 0.00 0.00 178.44 179.26 1bic h HIS 17 N 0.70 0.00 -0.25 0.49 2.07 -1.80 0.39 115.15 116.75 1bic h HIS 17 Ca 0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.71 1bic h HIS 17 Cb -0.02 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.95 1bic h HIS 17 CO 0.00 0.00 0.16 0.87 -3.07 0.00 0.00 177.93 175.90 1bic h LYS 18 N 0.00 0.34 0.00 5.12 1.57 -1.87 -2.90 116.57 118.82 1bic h LYS 18 Ca 0.16 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.74 1bic h LYS 18 Cb 0.78 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1bic h LYS 18 CO -0.00 0.23 -1.72 -0.25 -0.57 0.00 0.00 179.45 177.14 1bic n ASP 19 N -4.90 0.52 -3.64 0.86 8.00 -1.03 -4.71 116.55 111.65 1bic n ASP 19 Ca -0.02 0.23 -0.28 0.00 0.71 0.00 0.00 54.79 55.42 1bic n ASP 19 Cb 0.03 0.67 -0.12 0.00 -0.02 0.00 0.00 41.12 41.69 1bic n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1bic s PHE 20 N -2.95 2.04 0.65 1.24 0.08 0.10 -4.98 117.98 114.17 1bic s PHE 20 Ca -0.05 -2.60 0.36 0.00 0.12 0.00 0.00 56.93 54.76 1bic s PHE 20 Cb 0.09 -1.73 1.97 0.00 -0.57 0.00 0.00 43.02 42.78 1bic s PHE 20 CO 0.83 -0.74 2.14 -1.00 -0.10 0.00 0.00 175.22 176.36 1bic h PRO 21 N 6.01 0.00 0.00 0.24 0.13 -1.75 -0.61 132.00 136.02 1bic h PRO 21 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1bic h PRO 21 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1bic h PRO 21 CO 0.50 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.78 1bic n ILE 22 N -3.14 1.33 0.12 -3.56 3.06 -1.26 -2.37 119.36 113.54 1bic n ILE 22 Ca -0.02 0.40 0.20 0.00 -2.50 0.00 0.00 62.75 60.83 1bic n ILE 22 Cb 0.24 -1.30 0.75 0.00 0.54 0.00 0.00 39.64 39.87 1bic n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1bic h ALA 23 N 2.22 2.04 -0.28 1.51 0.00 -1.43 0.57 119.26 123.88 1bic h ALA 23 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1bic h ALA 23 Cb 0.15 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1bic h ALA 23 CO 0.00 -0.63 -0.06 1.63 0.00 0.00 0.00 179.25 180.19 1bic n LYS 24 N -3.61 2.11 -0.55 0.00 5.02 -1.00 -4.98 118.16 115.15 1bic n LYS 24 Ca 0.06 -3.03 -0.18 0.00 -2.02 0.00 0.00 58.31 53.14 1bic n LYS 24 Cb 0.60 -1.79 0.15 0.00 -0.02 0.00 0.00 35.03 33.97 1bic n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bic n GLY 25 N -0.97 -2.80 0.06 0.72 0.00 0.20 -5.00 105.19 97.40 1bic n GLY 25 Ca 0.28 -1.45 0.12 0.00 0.00 0.00 0.00 46.02 44.97 1bic n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bic n GLU 26 N -3.57 0.27 -2.89 1.61 -0.58 -1.26 -4.40 120.64 109.82 1bic n GLU 26 Ca 0.09 0.07 -0.16 0.00 -0.42 0.00 0.00 57.16 56.73 1bic n GLU 26 Cb 0.35 -1.66 -0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1bic n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1bic n ARG 27 N -2.04 1.54 -3.19 3.49 1.85 -1.26 -4.63 116.66 112.41 1bic n ARG 27 Ca 0.03 -3.61 -0.33 0.00 -1.00 0.00 0.00 57.85 52.95 1bic n ARG 27 Cb 0.43 -1.64 -0.06 0.00 -1.05 0.00 0.00 32.46 30.14 1bic n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1bic s GLN 28 N -2.92 3.98 0.20 2.89 -1.52 -1.26 -2.39 119.66 118.63 1bic s GLN 28 Ca 0.37 0.61 0.09 0.00 -1.95 0.00 0.00 55.36 54.48 1bic s GLN 28 Cb 0.39 -2.50 -0.04 0.00 -0.22 0.00 0.00 33.01 30.64 1bic s GLN 28 CO -0.05 0.20 -0.19 -1.12 -0.25 0.00 0.00 175.29 173.88 1bic s SER 29 N -2.25 2.94 0.95 5.90 0.01 -1.26 -4.68 113.70 115.31 1bic s SER 29 Ca 0.52 -0.92 -0.15 0.00 1.31 0.00 0.00 55.95 56.71 1bic s SER 29 Cb -0.11 -0.19 0.20 0.00 0.21 0.00 0.00 66.02 66.13 1bic s SER 29 CO 0.18 -0.02 1.31 -2.16 0.41 0.00 0.00 173.24 172.96 1bic s PRO 30 N -3.05 0.68 0.19 12.44 0.04 -1.26 -4.55 135.00 139.49 1bic s PRO 30 Ca 0.20 -0.45 0.01 0.00 0.04 0.00 0.00 61.00 60.80 1bic s PRO 30 Cb -0.05 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1bic s PRO 30 CO 0.09 -2.37 0.04 0.14 0.04 0.00 0.00 177.00 174.94 1bic s VAL 31 N -3.86 0.52 -0.07 -0.36 -7.23 -1.26 -0.55 120.40 107.59 1bic s VAL 31 Ca 0.74 -1.98 -0.23 0.00 -1.81 0.00 0.00 61.98 58.70 1bic s VAL 31 Cb -0.04 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1bic s VAL 31 CO 0.53 -0.31 0.67 -0.62 -0.31 0.00 0.00 175.10 175.05 1bic s ASP 32 N -3.19 6.95 -0.42 4.85 2.15 -1.26 -3.17 116.67 122.59 1bic s ASP 32 Ca 0.29 1.15 -0.20 0.00 0.43 0.00 0.00 52.55 54.21 1bic s ASP 32 Cb 0.07 -2.39 0.02 0.00 -0.30 0.00 0.00 42.92 40.31 1bic s ASP 32 CO 0.07 -0.08 0.63 -0.63 -0.17 0.00 0.00 175.17 174.98 1bic s ILE 33 N 0.68 4.86 -0.49 4.11 1.01 0.51 -4.94 121.20 126.94 1bic s ILE 33 Ca 0.36 0.20 -0.22 0.00 0.00 0.00 0.00 60.65 60.98 1bic s ILE 33 Cb -0.17 -4.16 0.04 0.00 0.01 0.00 0.00 42.46 38.17 1bic s ILE 33 CO 0.17 -0.51 0.78 -0.62 0.00 0.00 0.00 174.94 174.76 1bic s ASP 34 N 1.94 6.35 0.49 3.58 2.15 -1.26 0.29 116.67 130.20 1bic s ASP 34 Ca 0.22 -0.35 0.24 0.00 0.43 0.00 0.00 52.55 53.09 1bic s ASP 34 Cb -0.14 -2.37 1.26 0.00 -0.30 0.00 0.00 42.92 41.37 1bic s ASP 34 CO 0.18 -0.98 2.01 0.71 -0.17 0.00 0.00 175.17 176.91 1bic h THR 35 N 5.96 0.70 -0.00 1.71 1.35 -1.95 -2.38 112.91 118.30 1bic h THR 35 Ca -0.26 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1bic h THR 35 Cb 1.09 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1bic h THR 35 CO 0.99 0.16 -0.29 1.41 -0.25 0.00 0.00 175.52 177.54 1bic n HIS 36 N -3.73 0.00 0.41 4.73 8.25 -1.26 -3.82 115.22 119.80 1bic n HIS 36 Ca -0.02 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.49 1bic n HIS 36 Cb 0.28 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1bic n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1bic n THR 37 N -1.28 0.00 -2.39 1.59 -1.04 -1.05 -4.96 114.28 105.14 1bic n THR 37 Ca 0.08 -0.33 -0.41 0.00 -2.04 0.00 0.00 64.05 61.35 1bic n THR 37 Cb 0.33 1.03 -0.03 0.00 -1.82 0.00 0.00 70.33 69.84 1bic n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bic s ALA 38 N -1.66 3.42 -0.22 2.41 0.00 -0.92 -4.81 121.76 119.99 1bic s ALA 38 Ca 0.05 0.92 -0.18 0.00 0.00 0.00 0.00 51.96 52.75 1bic s ALA 38 Cb 0.07 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1bic s ALA 38 CO 0.32 -0.37 0.50 0.21 0.00 0.00 0.00 175.76 176.42 1bic s LYS 39 N 0.03 4.15 0.06 0.00 2.36 -0.50 -4.81 119.74 121.03 1bic s LYS 39 Ca 0.54 0.36 -0.31 0.00 -2.55 0.00 0.00 55.97 54.01 1bic s LYS 39 Cb -0.32 -3.58 -0.07 0.00 -1.05 0.00 0.00 37.83 32.81 1bic s LYS 39 CO 0.35 -0.19 1.46 -0.47 1.55 0.00 0.00 175.35 178.05 1bic s TYR 40 N 1.77 2.90 -0.27 4.03 5.04 -1.26 -0.38 117.35 129.17 1bic s TYR 40 Ca 0.23 0.74 0.03 0.00 -2.44 0.00 0.00 57.07 55.62 1bic s TYR 40 Cb -0.15 -3.75 0.07 0.00 0.35 0.00 0.00 41.96 38.47 1bic s TYR 40 CO 0.09 -2.80 -0.07 0.34 -1.34 0.00 0.00 175.55 171.77 1bic s ASP 41 N 1.70 4.41 0.01 4.32 -1.08 -0.34 -4.88 116.67 120.82 1bic s ASP 41 Ca 0.67 -1.51 0.18 0.00 -0.52 0.00 0.00 52.55 51.36 1bic s ASP 41 Cb -0.36 -1.50 0.78 0.00 -1.46 0.00 0.00 42.92 40.38 1bic s ASP 41 CO 0.29 -0.24 1.58 -0.81 0.52 0.00 0.00 175.17 176.52 1bic n PRO 42 N 4.44 0.01 0.00 4.34 -0.04 -1.26 -1.91 135.00 140.58 1bic n PRO 42 Ca -0.10 0.20 0.14 0.00 -0.04 0.00 0.00 63.50 63.70 1bic n PRO 42 Cb 0.42 -1.52 0.55 0.00 -0.04 0.00 0.00 33.50 32.92 1bic n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1bic n SER 43 N -1.54 0.09 -4.71 3.54 3.41 -1.26 -4.80 113.62 108.35 1bic n SER 43 Ca 0.04 0.36 -0.42 0.00 -0.26 0.00 0.00 58.87 58.60 1bic n SER 43 Cb 0.21 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 1bic n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1bic s LEU 44 N -3.00 4.36 0.49 1.04 1.43 -0.80 -5.01 118.68 117.18 1bic s LEU 44 Ca 0.13 1.93 -0.04 0.00 -1.03 0.00 0.00 54.13 55.13 1bic s LEU 44 Cb 0.19 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 1bic s LEU 44 CO 0.56 -0.44 0.77 -0.54 0.23 0.00 0.00 176.35 176.93 1bic s LYS 45 N 1.14 3.37 0.58 1.70 1.02 -1.25 -5.01 119.74 121.28 1bic s LYS 45 Ca 0.57 0.03 -0.17 0.00 0.02 0.00 0.00 55.97 56.42 1bic s LYS 45 Cb -0.27 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1bic s LYS 45 CO 0.28 -0.27 1.07 -2.14 -0.92 0.00 0.00 175.35 173.38 1bic s PRO 46 N -4.73 3.33 0.44 -1.68 0.02 -1.26 -3.09 135.00 128.04 1bic s PRO 46 Ca 0.48 1.33 -0.22 0.00 0.02 0.00 0.00 61.00 62.61 1bic s PRO 46 Cb -0.10 -2.03 -0.09 0.00 0.02 0.00 0.00 34.50 32.30 1bic s PRO 46 CO 0.43 -0.82 1.02 -0.51 -0.33 0.00 0.00 177.00 176.79 1bic s LEU 47 N -4.25 3.98 -0.23 -5.54 1.43 -1.26 -1.84 118.68 110.97 1bic s LEU 47 Ca 0.66 1.91 0.01 0.00 -1.03 0.00 0.00 54.13 55.68 1bic s LEU 47 Cb -0.18 -4.42 0.05 0.00 0.03 0.00 0.00 46.19 41.67 1bic s LEU 47 CO 0.33 -0.58 -0.07 -0.55 0.23 0.00 0.00 176.35 175.71 1bic s SER 48 N -1.88 3.77 -0.35 2.29 0.15 -0.52 -4.90 113.70 112.26 1bic s SER 48 Ca 0.63 -1.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.12 1bic s SER 48 Cb -0.17 -1.23 0.06 0.00 -1.71 0.00 0.00 66.02 62.98 1bic s SER 48 CO 0.21 -0.20 0.10 -0.69 1.20 0.00 0.00 173.24 173.86 1bic s VAL 49 N 1.37 3.43 -0.71 4.45 1.01 -1.26 -1.23 120.40 127.46 1bic s VAL 49 Ca -0.05 -1.45 -0.02 0.00 0.00 0.00 0.00 61.98 60.46 1bic s VAL 49 Cb -0.18 -3.06 0.18 0.00 0.00 0.00 0.00 36.38 33.32 1bic s VAL 49 CO -0.07 -0.30 0.54 -0.44 0.00 0.00 0.00 175.10 174.83 1bic s SER 50 N 1.51 5.39 0.00 3.32 0.01 -0.31 -4.86 113.70 118.76 1bic s SER 50 Ca -0.00 -3.18 0.17 0.00 1.31 0.00 0.00 55.95 54.24 1bic s SER 50 Cb -0.21 -1.85 0.40 0.00 0.21 0.00 0.00 66.02 64.57 1bic s SER 50 CO -0.00 -0.29 1.31 -1.22 0.41 0.00 0.00 173.24 173.45 1bic n TYR 51 N 3.03 0.55 -0.13 2.43 4.01 -1.26 -1.89 117.16 123.89 1bic n TYR 51 Ca 0.13 -0.38 0.07 0.00 -0.16 0.00 0.00 57.90 57.55 1bic n TYR 51 Cb 0.37 -0.01 0.39 0.00 -0.31 0.00 0.00 39.34 39.78 1bic n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1bic h ASP 52 N 3.20 0.58 -0.69 7.72 2.03 -1.89 -2.54 116.42 124.83 1bic h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1bic h ASP 52 Cb 0.83 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.20 1bic h ASP 52 CO 0.00 0.38 0.00 0.00 -1.03 0.00 0.00 179.24 178.59 1bic n GLN 53 N -4.48 3.52 -1.61 4.15 1.13 -1.25 -5.01 117.38 113.84 1bic n GLN 53 Ca 0.09 -2.86 -0.46 0.00 -1.94 0.00 0.00 57.00 51.84 1bic n GLN 53 Cb 0.22 -1.83 -0.02 0.00 0.11 0.00 0.00 30.24 28.72 1bic n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bic n ALA 54 N 1.30 -0.03 -3.86 -1.58 0.00 -0.96 -4.64 120.51 110.75 1bic n ALA 54 Ca 0.26 0.41 -0.30 0.00 0.00 0.00 0.00 53.44 53.81 1bic n ALA 54 Cb 0.83 -2.08 -0.15 0.00 0.00 0.00 0.00 19.45 18.05 1bic n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1bic s THR 55 N -0.65 1.51 0.47 0.00 2.01 -1.26 -4.93 115.64 112.79 1bic s THR 55 Ca 0.64 -1.87 -0.16 0.00 0.31 0.00 0.00 61.69 60.61 1bic s THR 55 Cb -0.72 -2.13 -0.08 0.00 0.01 0.00 0.00 72.50 69.58 1bic s THR 55 CO 0.56 -0.65 0.92 -0.94 -0.69 0.00 0.00 174.62 173.82 1bic s SER 56 N 1.24 6.66 0.00 3.53 1.04 -1.26 -0.27 113.70 124.64 1bic s SER 56 Ca 0.11 1.48 0.00 0.00 0.48 0.00 0.00 55.95 58.02 1bic s SER 56 Cb -0.18 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1bic s SER 56 CO -0.17 -0.49 0.00 0.18 0.98 0.00 0.00 173.24 173.74 1bic n LEU 57 N -1.29 1.14 -3.66 2.42 4.77 0.14 -4.09 117.00 116.42 1bic n LEU 57 Ca 0.06 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.93 1bic n LEU 57 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1bic n LEU 57 CO 0.45 0.13 0.19 -0.60 -1.33 0.00 0.00 177.39 176.23 1bic s ARG 58 N -1.89 1.16 -0.05 3.23 3.52 -1.20 -0.87 118.95 122.85 1bic s ARG 58 Ca 0.00 -0.76 0.06 0.00 -0.13 0.00 0.00 55.73 54.90 1bic s ARG 58 Cb 0.00 0.49 -0.01 0.00 -1.56 0.00 0.00 34.95 33.87 1bic s ARG 58 CO 0.00 -0.47 -0.23 -1.50 -0.81 0.00 0.00 175.30 172.29 1bic s ILE 59 N -3.83 1.91 -0.01 4.11 2.07 0.28 -0.43 121.20 125.30 1bic s ILE 59 Ca 0.05 -0.99 0.01 0.00 -1.41 0.00 0.00 60.65 58.31 1bic s ILE 59 Cb 0.01 -1.62 0.00 0.00 0.13 0.00 0.00 42.46 40.98 1bic s ILE 59 CO -0.09 0.53 -0.04 -0.22 -1.91 0.00 0.00 174.94 173.22 1bic s LEU 60 N -0.11 1.81 -0.34 8.50 2.96 -0.25 -0.68 118.68 130.57 1bic s LEU 60 Ca -0.04 -0.07 -0.19 0.00 -0.22 0.00 0.00 54.13 53.61 1bic s LEU 60 Cb -0.13 -0.24 -0.01 0.00 0.50 0.00 0.00 46.19 46.31 1bic s LEU 60 CO 0.03 0.02 0.55 0.21 -1.32 0.00 0.00 176.35 175.84 1bic s ASN 61 N 0.17 6.36 0.00 3.68 3.84 -0.02 -0.50 114.94 128.48 1bic s ASN 61 Ca -0.02 0.10 0.19 0.00 0.21 0.00 0.00 52.86 53.34 1bic s ASN 61 Cb -0.05 -2.29 0.46 0.00 -0.55 0.00 0.00 41.25 38.82 1bic s ASN 61 CO -0.00 -0.48 1.38 -0.46 -2.79 0.00 0.00 177.10 174.74 1bic n ASN 62 N 5.79 3.42 0.00 -4.21 0.23 -0.78 -0.42 115.26 119.29 1bic n ASN 62 Ca -0.04 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 1bic n ASN 62 Cb 0.49 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 1bic n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bic n GLY 63 N 1.25 2.71 0.00 4.83 0.00 -1.26 -4.80 105.19 107.91 1bic n GLY 63 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1bic n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bic n HIS 64 N -2.00 0.00 -3.35 1.61 1.44 -1.26 -4.64 115.22 107.02 1bic n HIS 64 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 1bic n HIS 64 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 1bic n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bic n ALA 65 N -0.79 -0.47 -3.23 1.59 0.00 -1.26 -4.86 120.51 111.49 1bic n ALA 65 Ca 0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 53.44 52.89 1bic n ALA 65 Cb 0.00 0.17 -0.17 0.00 0.00 0.00 0.00 19.45 19.45 1bic n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1bic s PHE 66 N -6.38 2.36 -0.09 0.00 -0.12 -1.26 -1.87 117.98 110.62 1bic s PHE 66 Ca 0.04 -0.94 -0.00 0.00 -0.05 0.00 0.00 56.93 55.98 1bic s PHE 66 Cb -0.01 -1.59 -0.03 0.00 -0.63 0.00 0.00 43.02 40.76 1bic s PHE 66 CO 0.02 -0.38 -0.06 -0.80 -0.05 0.00 0.00 175.22 173.95 1bic s ASN 67 N 0.36 4.69 -0.23 1.98 0.02 0.35 -4.27 114.94 117.84 1bic s ASN 67 Ca -0.17 -0.04 -0.09 0.00 -1.02 0.00 0.00 52.86 51.53 1bic s ASN 67 Cb -0.17 -1.32 -0.05 0.00 0.02 0.00 0.00 41.25 39.73 1bic s ASN 67 CO 0.08 0.32 0.13 -0.69 0.02 0.00 0.00 177.10 176.96 1bic s VAL 68 N -0.56 5.10 0.04 1.60 1.01 -0.01 -1.09 120.40 126.49 1bic s VAL 68 Ca 0.08 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1bic s VAL 68 Cb -0.12 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1bic s VAL 68 CO 0.02 0.37 0.05 -1.61 0.00 0.00 0.00 175.10 173.93 1bic s GLU 69 N 0.97 2.88 0.16 2.72 2.02 0.43 -1.94 118.70 125.94 1bic s GLU 69 Ca 0.06 -0.63 0.09 0.00 0.02 0.00 0.00 54.97 54.51 1bic s GLU 69 Cb -0.13 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.32 1bic s GLU 69 CO 0.03 0.60 -0.19 -0.06 0.02 0.00 0.00 175.26 175.66 1bic s PHE 70 N -1.26 1.87 -0.09 1.61 0.40 -0.66 0.23 117.98 120.08 1bic s PHE 70 Ca 0.25 -0.45 -0.30 0.00 -0.60 0.00 0.00 56.93 55.83 1bic s PHE 70 Cb -0.12 -0.94 -0.04 0.00 0.51 0.00 0.00 43.02 42.43 1bic s PHE 70 CO 0.17 0.33 1.46 0.34 0.70 0.00 0.00 175.22 178.22 1bic s ASP 71 N -2.58 6.81 -0.24 1.36 2.15 0.62 -4.81 116.67 119.99 1bic s ASP 71 Ca 0.15 2.00 0.11 0.00 0.43 0.00 0.00 52.55 55.23 1bic s ASP 71 Cb -0.06 -2.54 0.45 0.00 -0.30 0.00 0.00 42.92 40.46 1bic s ASP 71 CO 0.07 -0.83 1.31 -0.90 -0.17 0.00 0.00 175.17 174.65 1bic n ASP 72 N 6.68 2.05 -0.13 -0.34 5.75 -1.26 -4.68 116.55 124.62 1bic n ASP 72 Ca 0.15 -3.81 0.14 0.00 -0.01 0.00 0.00 54.79 51.26 1bic n ASP 72 Cb 0.44 -0.57 0.65 0.00 -1.03 0.00 0.00 41.12 40.61 1bic n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1bic n SER 73 N -1.13 0.49 -3.83 -1.12 3.41 -1.26 -4.87 113.62 105.32 1bic n SER 73 Ca 0.24 -0.68 -0.10 0.00 -0.26 0.00 0.00 58.87 58.07 1bic n SER 73 Cb 0.82 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.65 1bic n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1bic s GLN 74 N -2.39 1.23 -1.09 4.33 -0.21 -1.26 -5.06 119.66 115.21 1bic s GLN 74 Ca 0.32 -0.98 -0.07 0.00 0.02 0.00 0.00 55.36 54.64 1bic s GLN 74 Cb 0.20 0.45 -0.09 0.00 1.00 0.00 0.00 33.01 34.57 1bic s GLN 74 CO 0.45 -0.49 2.57 -0.25 -2.12 0.00 0.00 175.29 175.46 1bic n ASP 75 N -0.26 6.42 -0.02 5.90 8.00 -1.26 -4.56 116.55 130.76 1bic n ASP 75 Ca -0.10 -2.42 -0.08 0.00 0.71 0.00 0.00 54.79 52.91 1bic n ASP 75 Cb 0.63 -1.29 -0.07 0.00 -0.02 0.00 0.00 41.12 40.37 1bic n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1bic h LYS 76 N 5.42 -0.07 -4.29 -1.24 1.57 -1.88 -3.44 116.57 112.65 1bic h LYS 76 Ca 0.61 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.79 1bic h LYS 76 Cb 0.34 0.02 -0.38 0.00 0.08 0.00 0.00 32.23 32.28 1bic h LYS 76 CO 1.44 0.39 -0.78 0.00 -0.57 0.00 0.00 179.45 179.92 1bic s ALA 77 N -2.77 1.89 0.20 3.86 0.00 -1.26 -3.79 121.76 119.89 1bic s ALA 77 Ca -0.10 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.60 1bic s ALA 77 Cb -0.01 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 1bic s ALA 77 CO 0.37 -1.19 -0.09 0.14 0.00 0.00 0.00 175.76 174.99 1bic s VAL 78 N 1.43 1.35 -0.05 0.00 -7.23 -0.79 -1.28 120.40 113.82 1bic s VAL 78 Ca -0.05 -2.10 0.05 0.00 -1.81 0.00 0.00 61.98 58.06 1bic s VAL 78 Cb -0.19 -2.09 -0.00 0.00 0.56 0.00 0.00 36.38 34.66 1bic s VAL 78 CO -0.06 -0.56 -0.20 -0.22 -0.31 0.00 0.00 175.10 173.75 1bic s LEU 79 N -3.27 1.97 0.29 1.32 2.96 -0.21 -1.16 118.68 120.57 1bic s LEU 79 Ca 0.22 -0.42 -0.13 0.00 -0.22 0.00 0.00 54.13 53.59 1bic s LEU 79 Cb 0.03 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.60 1bic s LEU 79 CO 0.05 0.18 0.57 -1.59 -1.32 0.00 0.00 176.35 174.24 1bic s LYS 80 N 0.02 1.77 1.87 1.98 -2.85 -0.36 -1.44 119.74 120.72 1bic s LYS 80 Ca -0.05 -1.32 0.00 0.00 -1.00 0.00 0.00 55.97 53.59 1bic s LYS 80 Cb -0.13 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.16 1bic s LYS 80 CO 0.03 -0.77 0.00 0.41 0.10 0.00 0.00 175.35 175.13 1bic n GLY 81 N -0.45 -1.05 7.00 0.59 0.00 -1.26 -1.44 105.19 108.58 1bic n GLY 81 Ca -0.03 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1bic n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bic n GLY 82 N 0.00 2.77 0.14 -0.02 0.00 -0.77 0.22 105.19 107.53 1bic n GLY 82 Ca 0.00 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.90 1bic n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bic n PRO 83 N 14.00 1.19 -2.96 1.61 -0.04 -1.26 -3.87 135.00 143.66 1bic n PRO 83 Ca 0.00 -0.28 -0.29 0.00 -0.04 0.00 0.00 63.50 62.89 1bic n PRO 83 Cb 0.00 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.02 1bic n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bic s LEU 84 N -1.81 3.86 -0.17 1.53 1.43 0.13 -5.07 118.68 118.58 1bic s LEU 84 Ca 0.38 0.94 -0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1bic s LEU 84 Cb 0.18 -3.82 -0.00 0.00 0.03 0.00 0.00 46.19 42.58 1bic s LEU 84 CO 0.30 -0.38 -0.14 -1.81 0.23 0.00 0.00 176.35 174.55 1bic s ASP 85 N -3.40 3.71 0.00 2.29 1.01 -1.26 -4.30 116.67 114.71 1bic s ASP 85 Ca 0.48 -0.47 0.00 0.00 0.71 0.00 0.00 52.55 53.26 1bic s ASP 85 Cb -0.10 -1.58 0.00 0.00 1.01 0.00 0.00 42.92 42.24 1bic s ASP 85 CO 0.34 0.06 0.00 0.61 0.21 0.00 0.00 175.17 176.39 1bic n GLY 86 N 4.23 -0.59 3.88 0.21 0.00 -1.26 -4.96 105.19 106.70 1bic n GLY 86 Ca -0.19 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 1bic n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bic s THR 87 N -1.20 5.31 -0.09 2.61 2.01 -1.26 -4.54 115.64 118.48 1bic s THR 87 Ca 0.00 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.20 1bic s THR 87 Cb 0.00 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.97 1bic s THR 87 CO 0.00 0.39 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.90 1bic s TYR 88 N -1.27 1.49 -0.01 4.92 1.51 -0.52 -1.99 117.35 121.48 1bic s TYR 88 Ca 0.26 -0.63 -0.15 0.00 -1.01 0.00 0.00 57.07 55.54 1bic s TYR 88 Cb -0.13 -1.15 -0.06 0.00 -0.11 0.00 0.00 41.96 40.52 1bic s TYR 88 CO 0.15 -0.37 0.41 1.03 -1.11 0.00 0.00 175.55 175.66 1bic s ARG 89 N 1.05 3.95 -0.00 -0.62 0.52 -0.69 -1.04 118.95 122.12 1bic s ARG 89 Ca -0.07 0.41 -0.30 0.00 -0.52 0.00 0.00 55.73 55.24 1bic s ARG 89 Cb -0.15 -3.24 -0.05 0.00 0.52 0.00 0.00 34.95 32.04 1bic s ARG 89 CO -0.01 0.65 1.28 -1.17 0.02 0.00 0.00 175.30 176.07 1bic s LEU 90 N -0.93 4.32 -0.18 2.53 2.96 -0.40 -1.09 118.68 125.88 1bic s LEU 90 Ca 0.24 1.99 -0.07 0.00 -0.22 0.00 0.00 54.13 56.07 1bic s LEU 90 Cb -0.16 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.87 1bic s LEU 90 CO 0.13 -0.61 -0.22 0.00 -1.32 0.00 0.00 176.35 174.33 1bic n ILE 91 N 4.45 1.02 -3.66 6.68 3.06 -0.40 -4.55 119.36 125.95 1bic n ILE 91 Ca 0.11 -0.29 -0.09 0.00 -2.50 0.00 0.00 62.75 59.99 1bic n ILE 91 Cb 0.45 -1.60 -0.02 0.00 0.54 0.00 0.00 39.64 39.02 1bic n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1bic s GLN 92 N -2.34 1.46 0.07 9.51 1.03 -1.20 -1.65 119.66 126.54 1bic s GLN 92 Ca -0.25 -0.70 0.04 0.00 0.04 0.00 0.00 55.36 54.48 1bic s GLN 92 Cb 0.09 0.56 -0.03 0.00 0.03 0.00 0.00 33.01 33.66 1bic s GLN 92 CO 0.35 -0.66 -0.11 -0.59 -2.54 0.00 0.00 175.29 171.74 1bic s PHE 93 N -3.72 1.00 0.32 9.60 -0.12 -0.82 0.01 117.98 124.25 1bic s PHE 93 Ca 0.07 -0.55 -0.15 0.00 -0.05 0.00 0.00 56.93 56.25 1bic s PHE 93 Cb -0.03 -0.56 0.03 0.00 -0.63 0.00 0.00 43.02 41.82 1bic s PHE 93 CO -0.02 -0.01 0.67 -3.38 -0.05 0.00 0.00 175.22 172.43 1bic s HIS 94 N -1.77 0.18 0.28 3.49 -3.43 -0.52 -0.83 115.29 112.68 1bic s HIS 94 Ca -0.01 -0.67 0.07 0.00 -0.80 0.00 0.00 55.06 53.65 1bic s HIS 94 Cb -0.07 0.56 -0.06 0.00 -1.43 0.00 0.00 32.58 31.58 1bic s HIS 94 CO 0.01 -1.30 -0.07 -0.06 -2.00 0.00 0.00 174.74 171.32 1bic s PHE 95 N -3.27 1.99 -0.06 0.38 0.40 -1.26 -0.38 117.98 115.77 1bic s PHE 95 Ca 0.17 -0.66 0.01 0.00 -0.60 0.00 0.00 56.93 55.86 1bic s PHE 95 Cb -0.04 -1.11 0.02 0.00 0.51 0.00 0.00 43.02 42.40 1bic s PHE 95 CO 0.11 0.33 -0.08 -1.01 0.70 0.00 0.00 175.22 175.26 1bic s HIS 96 N -2.96 1.18 0.27 0.36 3.76 -0.61 -4.75 115.29 112.54 1bic s HIS 96 Ca 0.29 -0.43 0.01 0.00 -0.15 0.00 0.00 55.06 54.78 1bic s HIS 96 Cb 0.03 -0.94 -0.03 0.00 1.11 0.00 0.00 32.58 32.75 1bic s HIS 96 CO 0.12 -0.28 0.26 1.67 -0.85 0.00 0.00 174.74 175.66 1bic s TRP 97 N 0.94 1.31 0.50 1.40 -2.14 -1.21 -0.66 118.94 119.08 1bic s TRP 97 Ca -0.10 -1.43 0.04 0.00 2.66 0.00 0.00 56.10 57.28 1bic s TRP 97 Cb -0.15 -0.50 -0.00 0.00 -3.10 0.00 0.00 33.47 29.72 1bic s TRP 97 CO 0.01 -0.82 0.20 0.20 -2.66 0.00 0.00 176.95 173.88 1bic s GLY 98 N -3.24 2.61 0.32 3.67 0.00 -1.15 -1.73 107.32 107.80 1bic s GLY 98 Ca 0.37 -1.14 0.24 0.00 0.00 0.00 0.00 44.72 44.19 1bic s GLY 98 CO 0.19 -2.03 1.54 1.48 0.00 0.00 0.00 173.10 174.28 1bic h SER 99 N 1.14 0.00 -4.06 1.64 4.64 -1.89 -3.39 113.55 111.63 1bic h SER 99 Ca -0.41 -0.02 -0.31 0.00 -0.47 0.00 0.00 61.79 60.58 1bic h SER 99 Cb 1.29 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.24 1bic h SER 99 CO 0.67 0.01 -0.71 -0.76 -0.87 0.00 0.00 176.83 175.17 1bic s LEU 100 N -5.48 2.51 0.55 5.97 1.43 -1.26 -5.05 118.68 117.35 1bic s LEU 100 Ca 0.07 -1.02 0.32 0.00 -1.03 0.00 0.00 54.13 52.47 1bic s LEU 100 Cb 0.08 -0.30 1.54 0.00 0.03 0.00 0.00 46.19 47.53 1bic s LEU 100 CO 0.67 -0.36 2.07 0.44 0.23 0.00 0.00 176.35 179.40 1bic h ASP 101 N 2.80 0.00 -0.00 2.29 3.32 -1.92 -2.64 116.42 120.26 1bic h ASP 101 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1bic h ASP 101 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1bic h ASP 101 CO 0.64 0.07 0.00 0.61 -1.72 0.00 0.00 179.24 178.84 1bic n GLY 102 N -0.41 -0.99 3.40 2.75 0.00 -1.26 -3.70 105.19 104.98 1bic n GLY 102 Ca -0.01 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1bic n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bic s GLN 103 N -2.00 1.21 0.00 1.61 -2.07 -1.00 -4.72 119.66 112.68 1bic s GLN 103 Ca 0.40 -0.91 0.00 0.00 -1.82 0.00 0.00 55.36 53.03 1bic s GLN 103 Cb 0.18 0.46 0.00 0.00 -1.09 0.00 0.00 33.01 32.56 1bic s GLN 103 CO 0.31 -0.48 0.00 0.41 -1.32 0.00 0.00 175.29 174.21 1bic n GLY 104 N -0.26 2.41 3.82 2.60 0.00 -1.10 -2.93 105.19 109.73 1bic n GLY 104 Ca -0.11 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 1bic n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bic s SER 105 N 0.00 5.50 -0.22 1.61 1.04 -0.96 -3.34 113.70 117.33 1bic s SER 105 Ca 0.00 1.62 -0.16 0.00 0.48 0.00 0.00 55.95 57.89 1bic s SER 105 Cb 0.00 -2.50 -0.12 0.00 0.10 0.00 0.00 66.02 63.51 1bic s SER 105 CO 0.00 -1.36 -0.18 -0.62 0.98 0.00 0.00 173.24 172.06 1bic n GLU 106 N -2.96 0.55 -1.83 4.02 1.02 -1.26 -4.85 120.64 115.33 1bic n GLU 106 Ca 0.08 0.37 -0.32 0.00 -0.02 0.00 0.00 57.16 57.27 1bic n GLU 106 Cb 0.53 -1.58 0.03 0.00 -0.02 0.00 0.00 31.44 30.41 1bic n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1bic s HIS 107 N -2.51 3.12 0.17 -0.32 3.76 -1.26 -4.42 115.29 113.83 1bic s HIS 107 Ca -0.31 1.45 0.06 0.00 -0.15 0.00 0.00 55.06 56.11 1bic s HIS 107 Cb 0.09 -2.91 -0.04 0.00 1.11 0.00 0.00 32.58 30.82 1bic s HIS 107 CO 0.47 -1.09 -0.13 0.95 -0.85 0.00 0.00 174.74 174.10 1bic s THR 108 N -2.80 1.44 -0.19 1.30 -4.23 -1.19 -4.71 115.64 105.26 1bic s THR 108 Ca 0.60 -2.06 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1bic s THR 108 Cb -0.14 -1.87 0.04 0.00 1.34 0.00 0.00 72.50 71.87 1bic s THR 108 CO 0.46 -0.62 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.14 1bic s VAL 109 N -2.95 1.51 -1.52 2.29 1.01 -0.52 -0.37 120.40 119.86 1bic s VAL 109 Ca 0.18 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 1bic s VAL 109 Cb -0.00 -1.61 0.07 0.00 0.00 0.00 0.00 36.38 34.83 1bic s VAL 109 CO 0.04 0.16 0.72 0.47 0.00 0.00 0.00 175.10 176.48 1bic n ASP 110 N 4.73 -2.51 0.00 3.32 8.00 0.14 -0.37 116.55 129.86 1bic n ASP 110 Ca -0.14 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1bic n ASP 110 Cb 0.47 -3.32 0.00 0.00 -0.02 0.00 0.00 41.12 38.25 1bic n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bic n LYS 111 N -4.46 -0.27 -2.67 -1.24 4.76 -1.26 -4.99 118.16 108.04 1bic n LYS 111 Ca -0.10 0.07 -0.41 0.00 -2.87 0.00 0.00 58.31 54.99 1bic n LYS 111 Cb 0.58 -3.77 -0.04 0.00 -1.84 0.00 0.00 35.03 29.97 1bic n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1bic s LYS 112 N -0.71 4.62 -0.10 1.97 2.20 0.50 -5.00 119.74 123.22 1bic s LYS 112 Ca 0.00 1.50 -0.02 0.00 -0.36 0.00 0.00 55.97 57.09 1bic s LYS 112 Cb 0.00 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.90 1bic s LYS 112 CO 0.00 0.07 -0.01 0.15 -0.36 0.00 0.00 175.35 175.20 1bic s LYS 113 N 0.38 3.09 0.54 4.03 1.02 -1.26 -1.44 119.74 126.10 1bic s LYS 113 Ca 0.50 -0.43 0.06 0.00 0.02 0.00 0.00 55.97 56.11 1bic s LYS 113 Cb -0.24 -2.81 0.06 0.00 -0.52 0.00 0.00 37.83 34.32 1bic s LYS 113 CO 0.30 0.62 0.74 0.71 -0.92 0.00 0.00 175.35 176.80 1bic s TYR 114 N -0.66 2.21 -0.05 3.18 2.02 -1.26 -4.72 117.35 118.06 1bic s TYR 114 Ca 0.10 -0.40 0.20 0.00 -0.37 0.00 0.00 57.07 56.61 1bic s TYR 114 Cb -0.12 -2.50 0.52 0.00 -0.40 0.00 0.00 41.96 39.46 1bic s TYR 114 CO 0.02 -0.94 1.65 0.00 -1.57 0.00 0.00 175.55 174.72 1bic h ALA 115 N 0.20 0.88 -2.34 3.71 0.00 -1.32 -2.51 119.26 117.89 1bic h ALA 115 Ca -0.37 -0.28 0.18 0.00 0.00 0.00 0.00 54.91 54.45 1bic h ALA 115 Cb 1.28 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1bic h ALA 115 CO 0.44 0.38 0.51 0.00 0.00 0.00 0.00 179.25 180.58 1bic s ALA 116 N -3.32 -1.66 -0.10 0.00 0.00 -1.12 -3.36 121.76 112.20 1bic s ALA 116 Ca 0.03 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.00 1bic s ALA 116 Cb 0.08 0.65 0.05 0.00 0.00 0.00 0.00 23.12 23.90 1bic s ALA 116 CO 0.68 -1.05 0.23 -2.00 0.00 0.00 0.00 175.76 173.62 1bic s GLU 117 N -3.06 0.17 -0.10 0.00 2.12 0.17 -0.92 118.70 117.09 1bic s GLU 117 Ca 0.14 0.52 -0.10 0.00 0.36 0.00 0.00 54.97 55.89 1bic s GLU 117 Cb -0.01 -0.13 -0.05 0.00 0.26 0.00 0.00 34.13 34.20 1bic s GLU 117 CO 0.03 -0.18 0.23 -1.17 -0.54 0.00 0.00 175.26 173.63 1bic s LEU 118 N 1.37 4.37 -0.13 2.70 2.96 0.11 -1.57 118.68 128.49 1bic s LEU 118 Ca -0.08 0.58 0.01 0.00 -0.22 0.00 0.00 54.13 54.42 1bic s LEU 118 Cb -0.11 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.35 1bic s LEU 118 CO -0.08 0.32 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.14 1bic s HIS 119 N -0.69 1.97 -0.33 5.38 3.76 0.48 -1.45 115.29 124.41 1bic s HIS 119 Ca 0.17 -1.03 -0.10 0.00 -0.15 0.00 0.00 55.06 53.94 1bic s HIS 119 Cb -0.13 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 32.09 1bic s HIS 119 CO 0.06 -0.58 0.18 -0.51 -0.85 0.00 0.00 174.74 173.04 1bic s LEU 120 N 1.37 4.34 -0.16 0.89 1.43 -0.81 -1.44 118.68 124.30 1bic s LEU 120 Ca 0.01 -0.65 -0.15 0.00 -1.03 0.00 0.00 54.13 52.32 1bic s LEU 120 Cb -0.13 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 1bic s LEU 120 CO -0.07 -0.26 0.33 -0.69 0.23 0.00 0.00 176.35 175.89 1bic s VAL 121 N 1.61 5.28 0.06 -1.59 1.01 0.10 -1.62 120.40 125.25 1bic s VAL 121 Ca 0.04 0.62 0.07 0.00 0.00 0.00 0.00 61.98 62.71 1bic s VAL 121 Cb -0.18 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1bic s VAL 121 CO 0.07 0.37 -0.18 -1.00 0.00 0.00 0.00 175.10 174.36 1bic s HIS 122 N 0.56 1.57 0.07 5.22 3.76 -0.17 -1.28 115.29 125.02 1bic s HIS 122 Ca 0.18 -0.38 0.10 0.00 -0.15 0.00 0.00 55.06 54.80 1bic s HIS 122 Cb -0.13 -0.91 -0.03 0.00 1.11 0.00 0.00 32.58 32.61 1bic s HIS 122 CO 0.05 0.10 -0.26 1.67 -0.85 0.00 0.00 174.74 175.45 1bic s TRP 123 N -0.94 2.33 -0.34 1.40 1.48 -0.25 -1.32 118.94 121.31 1bic s TRP 123 Ca 0.04 -0.39 -0.28 0.00 -1.06 0.00 0.00 56.10 54.41 1bic s TRP 123 Cb -0.09 -1.36 -0.02 0.00 -1.16 0.00 0.00 33.47 30.85 1bic s TRP 123 CO 0.02 0.19 1.77 1.21 -4.06 0.00 0.00 176.95 176.09 1bic s ASN 124 N -1.48 5.91 0.65 -2.66 3.84 0.33 -1.70 114.94 119.83 1bic s ASN 124 Ca 0.13 1.23 0.36 0.00 0.21 0.00 0.00 52.86 54.79 1bic s ASN 124 Cb -0.10 -2.53 1.98 0.00 -0.55 0.00 0.00 41.25 40.05 1bic s ASN 124 CO 0.03 -1.71 2.16 0.71 -2.79 0.00 0.00 177.10 175.50 1bic h THR 125 N 6.78 0.12 0.00 -5.21 1.35 -1.74 -1.02 112.91 113.19 1bic h THR 125 Ca -0.33 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1bic h THR 125 Cb 1.16 0.85 -0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1bic h THR 125 CO 1.04 0.00 -0.01 0.07 -0.25 0.00 0.00 175.52 176.37 1bic h LYS 127 N 0.00 0.00 -0.07 4.72 2.10 -1.91 -1.97 116.57 119.44 1bic h LYS 127 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1bic h LYS 127 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1bic h LYS 127 CO -0.00 0.01 0.00 0.66 -2.00 0.00 0.00 179.45 178.12 1bic n TYR 128 N -3.24 0.07 0.00 0.07 4.01 -0.39 -4.98 117.16 112.71 1bic n TYR 128 Ca -0.02 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1bic n TYR 128 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 1bic n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bic n GLY 129 N 1.21 1.07 3.71 2.72 0.00 -0.74 -4.55 105.19 108.60 1bic n GLY 129 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 1bic n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1bic s ASP 130 N 0.00 -0.23 0.11 1.61 1.47 -1.26 -5.06 116.67 113.31 1bic s ASP 130 Ca 0.00 -0.64 -0.22 0.00 1.18 0.00 0.00 52.55 52.86 1bic s ASP 130 Cb 0.00 0.66 -0.10 0.00 -0.34 0.00 0.00 42.92 43.14 1bic s ASP 130 CO 0.00 -1.22 1.71 0.15 0.68 0.00 0.00 175.17 176.49 1bic h PHE 131 N 2.10 -0.12 -0.94 2.11 3.57 -1.94 -1.74 116.94 119.97 1bic h PHE 131 Ca -0.23 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.41 1bic h PHE 131 Cb 1.25 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.98 1bic h PHE 131 CO 0.40 -0.08 0.60 0.78 -2.23 0.00 0.00 178.31 177.78 1bic h GLY 132 N -0.07 1.43 1.37 2.40 0.00 -1.97 -1.80 103.07 104.43 1bic h GLY 132 Ca 0.04 -0.36 -0.32 0.00 0.00 0.00 0.00 47.33 46.69 1bic h GLY 132 CO -0.09 0.12 -1.42 0.50 0.00 0.00 0.00 176.54 175.66 1bic h LYS 133 N 0.84 0.45 -0.85 4.80 1.79 -1.76 -3.27 116.57 118.57 1bic h LYS 133 Ca 0.47 -0.77 0.15 0.00 -2.18 0.00 0.00 60.65 58.32 1bic h LYS 133 Cb 0.61 0.29 -0.06 0.00 -1.58 0.00 0.00 32.23 31.48 1bic h LYS 133 CO -0.24 1.37 0.55 0.00 -1.08 0.00 0.00 179.45 180.05 1bic h ALA 134 N 0.29 1.95 0.00 3.86 0.00 -0.67 -0.04 119.26 124.65 1bic h ALA 134 Ca -0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1bic h ALA 134 Cb 2.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1bic h ALA 134 CO 0.25 -0.18 0.00 1.33 0.00 0.00 0.00 179.25 180.65 1bic n VAL 135 N -4.53 0.00 0.12 0.00 0.24 -0.74 -1.88 118.33 111.54 1bic n VAL 135 Ca 0.16 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.55 1bic n VAL 135 Cb 0.50 -0.35 0.17 0.00 -1.47 0.00 0.00 33.84 32.69 1bic n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bic n GLN 136 N -0.70 2.22 -4.61 7.34 1.13 -0.03 -4.93 117.38 117.81 1bic n GLN 136 Ca 0.07 -2.00 -0.28 0.00 -1.94 0.00 0.00 57.00 52.84 1bic n GLN 136 Cb 0.03 -1.37 -0.14 0.00 0.11 0.00 0.00 30.24 28.87 1bic n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1bic s GLN 137 N -1.16 1.50 0.58 -1.09 -1.52 -0.79 -5.03 119.66 112.16 1bic s GLN 137 Ca 0.29 -1.16 0.37 0.00 -1.95 0.00 0.00 55.36 52.91 1bic s GLN 137 Cb 0.17 -1.78 1.70 0.00 -0.22 0.00 0.00 33.01 32.87 1bic s GLN 137 CO 0.23 0.44 2.11 -1.00 -0.25 0.00 0.00 175.29 176.82 1bic h PRO 138 N 4.43 0.00 -0.07 2.91 0.13 -1.85 -2.51 132.00 135.04 1bic h PRO 138 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1bic h PRO 138 Cb 1.16 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 1bic h PRO 138 CO 0.42 0.01 -0.61 -0.40 -0.23 0.00 0.00 178.00 177.19 1bic n ASP 139 N -3.12 1.88 0.11 1.44 5.75 -1.26 -4.32 116.55 117.03 1bic n ASP 139 Ca -0.01 -3.62 -0.03 0.00 -0.01 0.00 0.00 54.79 51.12 1bic n ASP 139 Cb 0.23 -0.48 0.10 0.00 -1.03 0.00 0.00 41.12 39.94 1bic n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1bic h GLY 140 N 1.12 0.06 -2.93 6.12 0.00 -1.22 -3.43 103.07 102.80 1bic h GLY 140 Ca -0.00 -0.09 -0.37 0.00 0.00 0.00 0.00 47.33 46.87 1bic h GLY 140 CO 0.08 0.08 -0.73 1.08 0.00 0.00 0.00 176.54 177.06 1bic s LEU 141 N -7.52 2.51 -0.06 3.11 1.43 -0.62 -0.51 118.68 117.02 1bic s LEU 141 Ca -0.02 -0.97 -0.00 0.00 -1.03 0.00 0.00 54.13 52.11 1bic s LEU 141 Cb 0.12 -0.45 0.02 0.00 0.03 0.00 0.00 46.19 45.91 1bic s LEU 141 CO 0.78 -0.26 -0.03 0.00 0.23 0.00 0.00 176.35 177.07 1bic s ALA 142 N -3.00 0.77 -0.13 4.21 0.00 -0.43 -1.56 121.76 121.61 1bic s ALA 142 Ca 0.16 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.00 1bic s ALA 142 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1bic s ALA 142 CO 0.02 -0.23 -0.20 0.08 0.00 0.00 0.00 175.76 175.42 1bic s VAL 143 N 1.42 2.26 -0.24 0.00 1.01 -0.84 -1.00 120.40 123.00 1bic s VAL 143 Ca -0.03 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.84 1bic s VAL 143 Cb -0.13 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1bic s VAL 143 CO -0.03 0.54 0.54 -0.22 0.00 0.00 0.00 175.10 175.93 1bic s LEU 144 N 0.65 4.08 -0.11 3.92 2.96 -0.64 -0.81 118.68 128.73 1bic s LEU 144 Ca -0.10 0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 54.38 1bic s LEU 144 Cb -0.16 -2.71 -0.03 0.00 0.50 0.00 0.00 46.19 43.79 1bic s LEU 144 CO 0.02 -0.28 -0.04 -0.83 -1.32 0.00 0.00 176.35 173.90 1bic s GLY 145 N 1.44 1.73 -0.05 7.98 0.00 0.17 -1.92 107.32 116.67 1bic s GLY 145 Ca 0.23 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 44.14 1bic s GLY 145 CO 0.09 -0.38 -0.13 -0.42 0.00 0.00 0.00 173.10 172.26 1bic s ILE 146 N -0.29 1.18 0.29 0.90 1.01 -0.53 -1.30 121.20 122.46 1bic s ILE 146 Ca 0.05 -0.55 -0.17 0.00 0.00 0.00 0.00 60.65 59.98 1bic s ILE 146 Cb -0.13 -1.04 -0.09 0.00 0.01 0.00 0.00 42.46 41.21 1bic s ILE 146 CO 0.02 0.35 0.75 -0.36 0.00 0.00 0.00 174.94 175.70 1bic s PHE 147 N 0.34 3.49 -0.13 3.97 0.08 -1.26 -0.72 117.98 123.75 1bic s PHE 147 Ca -0.08 1.32 0.02 0.00 0.12 0.00 0.00 56.93 58.30 1bic s PHE 147 Cb -0.13 -2.59 -0.00 0.00 -0.57 0.00 0.00 43.02 39.73 1bic s PHE 147 CO 0.03 0.18 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.63 1bic s LEU 148 N -2.56 2.32 0.17 -0.37 1.02 -0.09 -0.65 118.68 118.51 1bic s LEU 148 Ca 0.50 -0.49 0.11 0.00 0.02 0.00 0.00 54.13 54.26 1bic s LEU 148 Cb -0.13 -1.50 -0.04 0.00 0.02 0.00 0.00 46.19 44.54 1bic s LEU 148 CO 0.19 0.13 -0.22 -1.59 0.02 0.00 0.00 176.35 174.88 1bic s LYS 149 N 0.53 1.58 -0.10 1.70 -2.85 -0.54 -1.43 119.74 118.63 1bic s LYS 149 Ca -0.12 -1.41 -0.23 0.00 -1.00 0.00 0.00 55.97 53.21 1bic s LYS 149 Cb -0.17 -1.93 -0.03 0.00 -2.06 0.00 0.00 37.83 33.64 1bic s LYS 149 CO 0.04 0.42 0.67 0.08 0.10 0.00 0.00 175.35 176.67 1bic s VAL 150 N -1.47 5.05 0.00 1.79 1.01 -1.26 -1.68 120.40 123.84 1bic s VAL 150 Ca 0.19 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.53 1bic s VAL 150 Cb -0.09 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1bic s VAL 150 CO 0.10 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1bic n GLY 151 N 3.24 1.06 3.78 4.51 0.00 0.92 -4.90 105.19 113.80 1bic n GLY 151 Ca -0.02 0.36 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 1bic n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bic s SER 152 N 2.00 6.20 0.60 1.61 0.01 -1.26 -3.92 113.70 118.94 1bic s SER 152 Ca 0.00 2.19 -0.18 0.00 1.31 0.00 0.00 55.95 59.27 1bic s SER 152 Cb 0.00 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 1bic s SER 152 CO 0.00 -0.89 1.17 0.00 0.41 0.00 0.00 173.24 173.93 1bic s ALA 153 N -1.66 2.54 -0.40 1.44 0.00 -1.26 -2.28 121.76 120.14 1bic s ALA 153 Ca 0.65 0.87 -0.09 0.00 0.00 0.00 0.00 51.96 53.38 1bic s ALA 153 Cb -0.25 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.53 1bic s ALA 153 CO 0.30 -1.11 0.22 0.21 0.00 0.00 0.00 175.76 175.38 1bic s LYS 154 N -3.48 2.67 0.19 0.00 2.47 -1.24 -4.81 119.74 115.53 1bic s LYS 154 Ca 0.74 -1.32 -0.13 0.00 -1.56 0.00 0.00 55.97 53.70 1bic s LYS 154 Cb -0.27 -3.72 0.20 0.00 -1.46 0.00 0.00 37.83 32.58 1bic s LYS 154 CO 0.33 -0.84 1.70 -1.35 0.16 0.00 0.00 175.35 175.35 1bic h PRO 155 N 8.39 0.18 0.00 4.03 0.11 -1.91 -1.75 132.00 141.05 1bic h PRO 155 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1bic h PRO 155 Cb 1.09 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1bic h PRO 155 CO 0.71 0.12 0.00 0.78 -0.21 0.00 0.00 178.00 179.40 1bic h GLY 156 N 0.18 0.00 1.16 -0.55 0.00 -1.94 -1.79 103.07 100.13 1bic h GLY 156 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1bic h GLY 156 CO -0.37 0.00 -0.80 -2.00 0.00 0.00 0.00 176.54 173.37 1bic h LEU 157 N 0.00 0.00 -0.87 3.11 5.85 -1.58 -3.39 115.31 118.43 1bic h LEU 157 Ca 0.00 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.78 1bic h LEU 157 Cb 0.04 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 1bic h LEU 157 CO 0.00 0.02 0.51 -0.61 -0.34 0.00 0.00 178.44 178.02 1bic h GLN 158 N 0.00 0.82 -0.18 1.25 5.75 -1.32 -1.31 115.11 120.12 1bic h GLN 158 Ca 0.00 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1bic h GLN 158 Cb 0.95 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.30 1bic h GLN 158 CO 0.00 0.54 0.12 0.87 -2.65 0.00 0.00 178.83 177.72 1bic h LYS 159 N 0.85 0.21 0.03 1.69 1.57 -1.78 -1.57 116.57 117.58 1bic h LYS 159 Ca 0.42 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1bic h LYS 159 Cb 0.39 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1bic h LYS 159 CO -0.25 0.14 -0.01 0.28 -0.57 0.00 0.00 179.45 179.03 1bic h VAL 160 N 0.22 1.38 -0.68 0.50 2.07 -1.54 -3.21 116.25 114.99 1bic h VAL 160 Ca 0.07 -1.37 0.13 0.00 0.82 0.00 0.00 66.70 66.35 1bic h VAL 160 Cb 0.02 2.28 -0.09 0.00 -1.52 0.00 0.00 31.29 31.98 1bic h VAL 160 CO -0.01 0.34 0.20 0.58 0.02 0.00 0.00 177.57 178.70 1bic h VAL 161 N -0.65 0.63 0.00 2.57 2.07 -0.98 -2.43 116.25 117.46 1bic h VAL 161 Ca -0.00 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1bic h VAL 161 Cb 0.60 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1bic h VAL 161 CO 0.01 0.06 -0.12 0.44 0.02 0.00 0.00 177.57 177.98 1bic h ASP 162 N 0.33 0.00 0.24 0.57 3.32 -1.35 -2.89 116.42 116.64 1bic h ASP 162 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1bic h ASP 162 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1bic h ASP 162 CO -0.42 0.12 -0.36 0.55 -1.72 0.00 0.00 179.24 177.41 1bic n VAL 163 N -3.99 0.00 -0.01 -1.35 3.14 -0.92 -4.34 118.33 110.86 1bic n VAL 163 Ca -0.02 -0.12 0.15 0.00 -2.96 0.00 0.00 64.34 61.39 1bic n VAL 163 Cb 0.21 0.51 0.60 0.00 -1.06 0.00 0.00 33.84 34.10 1bic n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1bic h LEU 164 N 1.11 0.17 -1.80 6.55 3.38 -1.50 -2.02 115.31 121.21 1bic h LEU 164 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1bic h LEU 164 Cb 0.54 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1bic h LEU 164 CO 0.00 0.10 -0.15 0.44 0.09 0.00 0.00 178.44 178.92 1bic h ASP 165 N 0.19 0.00 0.25 -0.43 3.32 -1.80 -2.19 116.42 115.77 1bic h ASP 165 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1bic h ASP 165 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1bic h ASP 165 CO -0.04 0.15 -0.15 -1.54 -1.72 0.00 0.00 179.24 175.94 1bic n SER 166 N -4.04 0.80 -2.21 6.45 3.41 -0.76 -3.92 113.62 113.36 1bic n SER 166 Ca -0.02 -0.82 -0.04 0.00 -0.26 0.00 0.00 58.87 57.72 1bic n SER 166 Cb 0.23 0.02 0.05 0.00 -0.26 0.00 0.00 64.21 64.25 1bic n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1bic n ILE 167 N -0.70 1.40 -0.24 -1.33 -5.35 -0.84 -4.69 119.36 107.61 1bic n ILE 167 Ca 0.14 -2.88 0.03 0.00 -0.27 0.00 0.00 62.75 59.78 1bic n ILE 167 Cb 0.31 0.56 0.16 0.00 -1.74 0.00 0.00 39.64 38.93 1bic n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1bic h LYS 168 N 2.07 0.39 -6.24 6.28 3.64 -1.65 -3.42 116.57 117.64 1bic h LYS 168 Ca -0.03 -0.02 -0.56 0.00 -1.27 0.00 0.00 60.65 58.77 1bic h LYS 168 Cb 1.43 -0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 33.07 1bic h LYS 168 CO 0.28 0.26 -0.63 0.95 -2.27 0.00 0.00 179.45 178.03 1bic s THR 169 N -6.05 3.64 0.05 1.00 -4.23 -1.26 -0.47 115.64 108.32 1bic s THR 169 Ca -0.13 -1.73 -0.36 0.00 -1.18 0.00 0.00 61.69 58.30 1bic s THR 169 Cb 0.19 -2.92 -0.15 0.00 1.34 0.00 0.00 72.50 70.96 1bic s THR 169 CO 0.76 -0.31 1.50 1.17 -0.54 0.00 0.00 174.62 177.20 1bic n LYS 170 N -0.74 1.52 0.00 3.99 4.81 -0.59 -1.78 118.16 125.38 1bic n LYS 170 Ca -0.07 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1bic n LYS 170 Cb 0.58 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.38 1bic n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bic n GLY 171 N 3.14 3.30 3.78 3.14 0.00 0.44 -4.51 105.19 114.47 1bic n GLY 171 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1bic n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bic s LYS 172 N -0.64 3.93 0.03 1.61 1.02 -0.73 -4.85 119.74 120.11 1bic s LYS 172 Ca 0.00 1.67 -0.06 0.00 0.02 0.00 0.00 55.97 57.60 1bic s LYS 172 Cb 0.00 -2.46 -0.01 0.00 -0.52 0.00 0.00 37.83 34.84 1bic s LYS 172 CO 0.00 -0.38 0.10 -1.54 -0.92 0.00 0.00 175.35 172.61 1bic s SER 173 N -1.44 0.15 0.03 2.83 1.04 -1.26 -0.84 113.70 114.20 1bic s SER 173 Ca 0.61 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 56.60 1bic s SER 173 Cb -0.26 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.06 1bic s SER 173 CO 0.32 -0.47 -0.07 0.00 0.98 0.00 0.00 173.24 174.00 1bic s ALA 174 N -2.31 0.52 0.32 5.32 0.00 0.15 -4.96 121.76 120.80 1bic s ALA 174 Ca -0.07 -0.60 -0.29 0.00 0.00 0.00 0.00 51.96 51.00 1bic s ALA 174 Cb -0.03 -0.00 -0.10 0.00 0.00 0.00 0.00 23.12 22.99 1bic s ALA 174 CO -0.03 0.02 1.35 -0.51 0.00 0.00 0.00 175.76 176.59 1bic s ASP 175 N -1.12 6.71 -0.47 0.00 1.01 -1.26 -0.56 116.67 120.97 1bic s ASP 175 Ca -0.06 2.72 0.06 0.00 0.71 0.00 0.00 52.55 55.97 1bic s ASP 175 Cb -0.07 -2.65 0.19 0.00 1.01 0.00 0.00 42.92 41.40 1bic s ASP 175 CO 0.00 -0.60 0.57 0.33 0.21 0.00 0.00 175.17 175.68 1bic n PHE 176 N 1.09 -2.50 -4.01 4.23 7.35 -0.05 -4.73 117.46 118.84 1bic n PHE 176 Ca 0.01 -2.26 -0.24 0.00 -0.76 0.00 0.00 57.45 54.20 1bic n PHE 176 Cb 0.41 0.92 -0.03 0.00 0.35 0.00 0.00 39.48 41.13 1bic n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bic s THR 177 N 0.44 4.97 -1.26 -2.13 -4.23 -1.26 -2.66 115.64 109.51 1bic s THR 177 Ca 0.32 -1.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.75 1bic s THR 177 Cb 0.04 -3.63 0.01 0.00 1.34 0.00 0.00 72.50 70.26 1bic s THR 177 CO -0.12 -0.22 0.89 0.59 -0.54 0.00 0.00 174.62 175.21 1bic n ASN 178 N -0.92 -5.82 -4.70 3.99 4.13 -1.26 -4.98 115.26 105.70 1bic n ASN 178 Ca -0.08 -0.41 -0.36 0.00 1.68 0.00 0.00 54.58 55.41 1bic n ASN 178 Cb 0.56 -4.51 -0.08 0.00 -1.54 0.00 0.00 39.78 34.21 1bic n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1bic s PHE 179 N -3.23 3.40 -0.33 3.10 5.36 -1.26 -5.03 117.98 119.99 1bic s PHE 179 Ca 0.44 0.43 -0.11 0.00 -0.96 0.00 0.00 56.93 56.73 1bic s PHE 179 Cb -0.19 -2.30 -0.00 0.00 -0.34 0.00 0.00 43.02 40.19 1bic s PHE 179 CO 0.54 0.18 0.18 0.34 -1.46 0.00 0.00 175.22 175.00 1bic s ASP 180 N 0.66 5.70 0.00 6.13 -1.08 -1.26 -4.42 116.67 122.39 1bic s ASP 180 Ca 0.12 -0.59 0.18 0.00 -0.52 0.00 0.00 52.55 51.74 1bic s ASP 180 Cb -0.13 -2.04 0.86 0.00 -1.46 0.00 0.00 42.92 40.16 1bic s ASP 180 CO 0.03 -0.24 1.57 -0.81 0.52 0.00 0.00 175.17 176.24 1bic n PRO 181 N 5.01 0.15 0.30 4.34 -0.04 -1.26 -2.64 135.00 140.85 1bic n PRO 181 Ca -0.13 0.15 0.16 0.00 -0.04 0.00 0.00 63.50 63.64 1bic n PRO 181 Cb 0.49 -1.50 0.92 0.00 -0.04 0.00 0.00 33.50 33.36 1bic n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bic h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.93 -1.03 114.38 115.04 1bic h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bic h ARG 182 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1bic h ARG 182 CO 0.00 0.04 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 1bic n GLY 183 N -0.94 -0.83 0.63 0.04 0.00 -1.08 -2.92 105.19 100.10 1bic n GLY 183 Ca -0.02 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 45.99 1bic n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bic n LEU 184 N -1.26 2.36 -4.81 0.99 4.77 -0.39 -4.43 117.00 114.23 1bic n LEU 184 Ca 0.08 -1.08 -0.38 0.00 -0.03 0.00 0.00 56.01 54.60 1bic n LEU 184 Cb 0.13 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1bic n LEU 184 CO 0.13 0.44 0.32 -0.76 -1.33 0.00 0.00 177.39 176.19 1bic s LEU 185 N -1.25 4.49 1.20 2.23 1.43 -1.15 -4.94 118.68 120.70 1bic s LEU 185 Ca 0.19 1.32 -0.20 0.00 -1.03 0.00 0.00 54.13 54.41 1bic s LEU 185 Cb 0.13 -3.11 0.29 0.00 0.03 0.00 0.00 46.19 43.54 1bic s LEU 185 CO 0.19 0.21 1.14 -2.16 0.23 0.00 0.00 176.35 175.97 1bic s PRO 186 N -1.35 -1.24 0.07 1.29 0.04 -1.26 -4.97 135.00 127.57 1bic s PRO 186 Ca 0.33 -0.21 -0.17 0.00 0.04 0.00 0.00 61.00 60.99 1bic s PRO 186 Cb -0.19 -1.61 -0.12 0.00 0.04 0.00 0.00 34.50 32.62 1bic s PRO 186 CO 0.20 -3.70 1.35 1.49 0.04 0.00 0.00 177.00 176.39 1bic h GLU 187 N -2.57 0.57 -6.10 4.56 4.81 -1.92 -3.45 114.58 110.48 1bic h GLU 187 Ca -0.43 -0.33 -0.59 0.00 -0.13 0.00 0.00 59.36 57.87 1bic h GLU 187 Cb 1.28 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.64 1bic h GLU 187 CO 0.30 0.93 -0.26 0.45 -0.73 0.00 0.00 179.01 179.71 1bic s SER 188 N -6.46 6.63 -0.23 1.04 0.15 -1.26 -5.02 113.70 108.55 1bic s SER 188 Ca -0.13 0.77 0.14 0.00 0.70 0.00 0.00 55.95 57.43 1bic s SER 188 Cb 0.07 -2.17 0.61 0.00 -1.71 0.00 0.00 66.02 62.82 1bic s SER 188 CO 0.81 0.17 1.55 0.18 1.20 0.00 0.00 173.24 177.15 1bic n LEU 189 N 0.88 4.62 -4.77 3.45 4.77 -1.26 -4.71 117.00 119.99 1bic n LEU 189 Ca -0.08 -3.16 -0.41 0.00 -0.03 0.00 0.00 56.01 52.33 1bic n LEU 189 Cb 0.52 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1bic n LEU 189 CO 0.42 0.78 0.98 -1.81 -1.33 0.00 0.00 177.39 176.43 1bic s ASP 190 N -1.69 6.76 0.25 -1.43 1.01 -1.26 -4.75 116.67 115.56 1bic s ASP 190 Ca 0.47 2.69 -0.06 0.00 0.71 0.00 0.00 52.55 56.36 1bic s ASP 190 Cb 0.38 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.65 1bic s ASP 190 CO 0.09 -0.54 0.34 -0.72 0.21 0.00 0.00 175.17 174.55 1bic s TYR 191 N -1.10 0.83 0.10 4.23 -0.85 -1.26 -1.38 117.35 117.91 1bic s TYR 191 Ca 0.49 -1.10 0.09 0.00 -0.52 0.00 0.00 57.07 56.03 1bic s TYR 191 Cb -0.40 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 41.73 1bic s TYR 191 CO 0.53 -0.88 -0.19 -1.58 -1.52 0.00 0.00 175.55 171.91 1bic s TRP 192 N -3.90 2.51 -0.03 -3.49 0.51 -0.49 -1.15 118.94 112.90 1bic s TRP 192 Ca 0.31 -0.28 -0.04 0.00 -2.12 0.00 0.00 56.10 53.96 1bic s TRP 192 Cb 0.02 -1.36 0.01 0.00 -0.81 0.00 0.00 33.47 31.33 1bic s TRP 192 CO 0.13 0.34 0.11 -0.08 -0.51 0.00 0.00 176.95 176.94 1bic s THR 193 N -1.08 0.02 0.17 2.01 -1.32 0.39 -1.29 115.64 114.53 1bic s THR 193 Ca 0.17 -0.14 -0.21 0.00 -1.21 0.00 0.00 61.69 60.29 1bic s THR 193 Cb -0.10 -0.21 0.06 0.00 -1.51 0.00 0.00 72.50 70.73 1bic s THR 193 CO 0.08 -0.08 0.57 -0.72 -2.21 0.00 0.00 174.62 172.27 1bic s TYR 194 N -0.21 -0.43 -0.11 9.09 1.13 -1.09 -1.29 117.35 124.44 1bic s TYR 194 Ca -0.03 0.17 -0.26 0.00 -1.41 0.00 0.00 57.07 55.54 1bic s TYR 194 Cb -0.02 0.51 -0.02 0.00 -1.10 0.00 0.00 41.96 41.33 1bic s TYR 194 CO 0.00 -0.86 0.86 -1.25 -2.51 0.00 0.00 175.55 171.79 1bic s PRO 195 N -3.78 4.38 0.00 -3.49 0.05 -1.26 -1.31 135.00 129.59 1bic s PRO 195 Ca 0.03 1.12 0.00 0.00 0.05 0.00 0.00 61.00 62.20 1bic s PRO 195 Cb -0.01 -3.53 0.00 0.00 0.05 0.00 0.00 34.50 31.01 1bic s PRO 195 CO -0.11 -0.21 0.00 0.41 0.05 0.00 0.00 177.00 177.14 1bic n GLY 196 N 3.24 4.71 3.37 0.56 0.00 0.21 -4.82 105.19 112.46 1bic n GLY 196 Ca 0.04 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 1bic n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bic s SER 197 N 1.33 1.82 0.64 1.61 1.04 -1.01 -2.52 113.70 116.61 1bic s SER 197 Ca 0.00 -1.59 -0.17 0.00 0.48 0.00 0.00 55.95 54.67 1bic s SER 197 Cb 0.00 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 1bic s SER 197 CO 0.00 -0.90 1.14 -0.76 0.98 0.00 0.00 173.24 173.70 1bic s LEU 198 N -3.42 3.50 0.00 2.42 1.43 -0.46 -4.50 118.68 117.64 1bic s LEU 198 Ca 0.34 2.16 0.25 0.00 -1.03 0.00 0.00 54.13 55.84 1bic s LEU 198 Cb 0.04 -4.57 0.38 0.00 0.03 0.00 0.00 46.19 42.07 1bic s LEU 198 CO 0.18 -1.64 1.35 0.35 0.23 0.00 0.00 176.35 176.82 1bic n THR 199 N -2.10 0.00 -4.18 5.49 -2.24 -1.26 -4.37 114.28 105.61 1bic n THR 199 Ca 0.12 -0.35 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 1bic n THR 199 Cb 0.51 1.12 -0.11 0.00 -2.10 0.00 0.00 70.33 69.75 1bic n THR 199 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1bic s HIS 200 N -2.17 1.06 0.26 4.78 0.00 -1.26 -4.70 115.29 113.26 1bic s HIS 200 Ca 0.27 -0.69 -0.29 0.00 -3.00 0.00 0.00 55.06 51.36 1bic s HIS 200 Cb 0.20 -0.58 -0.14 0.00 -4.00 0.00 0.00 32.58 28.05 1bic s HIS 200 CO 0.40 -0.01 1.02 -2.30 -1.00 0.00 0.00 174.74 172.85 1bic n PRO 201 N 0.43 1.26 0.00 -0.38 -0.02 -1.26 -1.00 135.00 134.04 1bic n PRO 201 Ca -0.15 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1bic n PRO 201 Cb 0.58 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1bic n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1bic n PRO 202 N 0.95 0.89 -2.62 0.52 -0.04 -1.26 -5.01 135.00 128.42 1bic n PRO 202 Ca 0.11 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.44 1bic n PRO 202 Cb 0.30 -1.06 -0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1bic n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bic n LEU 203 N -0.43 -1.12 -4.74 1.53 4.77 -0.17 -4.89 117.00 111.95 1bic n LEU 203 Ca 0.00 0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 1bic n LEU 203 Cb 0.03 -2.03 -0.02 0.00 -2.33 0.00 0.00 43.42 39.06 1bic n LEU 203 CO 0.00 -0.06 1.13 -0.76 -1.33 0.00 0.00 177.39 176.37 1bic s LEU 204 N -5.72 4.38 -1.43 2.23 1.43 -1.26 -4.39 118.68 113.91 1bic s LEU 204 Ca 0.08 2.65 -0.11 0.00 -1.03 0.00 0.00 54.13 55.72 1bic s LEU 204 Cb -0.04 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.62 1bic s LEU 204 CO 0.09 -0.73 2.31 -0.62 0.23 0.00 0.00 176.35 177.63 1bic n GLU 205 N 2.69 3.43 0.00 1.70 1.02 -1.26 -1.35 120.64 126.87 1bic n GLU 205 Ca 0.08 -2.86 0.01 0.00 -0.02 0.00 0.00 57.16 54.36 1bic n GLU 205 Cb 0.40 -3.02 0.00 0.00 -0.02 0.00 0.00 31.44 28.80 1bic n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bic s VAL 207 N -0.42 5.24 -0.36 0.00 1.01 -1.05 -1.59 120.40 123.23 1bic s VAL 207 Ca 0.01 0.60 -0.12 0.00 0.00 0.00 0.00 61.98 62.47 1bic s VAL 207 Cb 0.01 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1bic s VAL 207 CO 0.02 0.51 0.22 -0.89 0.00 0.00 0.00 175.10 174.96 1bic s THR 208 N -0.42 4.88 -0.00 3.92 2.01 -0.60 0.65 115.64 126.07 1bic s THR 208 Ca 0.19 -0.59 -0.22 0.00 0.31 0.00 0.00 61.69 61.38 1bic s THR 208 Cb -0.14 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 1bic s THR 208 CO 0.08 -0.14 0.65 0.26 -0.69 0.00 0.00 174.62 174.78 1bic s TRP 209 N 1.63 3.68 -0.27 4.92 0.52 -0.43 -1.99 118.94 127.00 1bic s TRP 209 Ca 0.04 1.27 0.02 0.00 0.02 0.00 0.00 56.10 57.45 1bic s TRP 209 Cb -0.18 -2.69 0.07 0.00 -1.15 0.00 0.00 33.47 29.52 1bic s TRP 209 CO 0.08 0.29 -0.02 0.42 0.02 0.00 0.00 176.95 177.73 1bic s ILE 210 N 0.01 1.75 -0.26 2.03 1.01 0.01 -2.66 121.20 123.09 1bic s ILE 210 Ca 0.34 -1.58 -0.07 0.00 0.00 0.00 0.00 60.65 59.34 1bic s ILE 210 Cb -0.19 -2.08 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 1bic s ILE 210 CO 0.19 -0.27 0.07 -0.69 0.00 0.00 0.00 174.94 174.24 1bic s VAL 211 N 1.25 4.12 0.17 2.92 1.01 -0.42 0.44 120.40 129.89 1bic s VAL 211 Ca -0.01 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1bic s VAL 211 Cb -0.19 -2.99 -0.07 0.00 0.00 0.00 0.00 36.38 33.13 1bic s VAL 211 CO -0.09 0.26 1.04 -0.76 0.00 0.00 0.00 175.10 175.56 1bic s LEU 212 N 1.57 4.51 0.22 3.92 1.43 -0.42 -1.39 118.68 128.52 1bic s LEU 212 Ca 0.05 1.99 -0.06 0.00 -1.03 0.00 0.00 54.13 55.08 1bic s LEU 212 Cb -0.16 -3.60 0.20 0.00 0.03 0.00 0.00 46.19 42.66 1bic s LEU 212 CO 0.03 -0.13 1.74 0.50 0.23 0.00 0.00 176.35 178.72 1bic h LYS 213 N 5.09 1.05 -5.52 1.70 3.64 -1.57 -3.43 116.57 117.54 1bic h LYS 213 Ca -0.44 -0.25 -0.60 0.00 -1.27 0.00 0.00 60.65 58.09 1bic h LYS 213 Cb 1.21 -0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 32.78 1bic h LYS 213 CO 0.72 0.94 -0.02 -2.00 -2.27 0.00 0.00 179.45 176.81 1bic s GLU 214 N -5.27 4.17 0.75 1.90 2.12 -1.26 -5.02 118.70 116.10 1bic s GLU 214 Ca -0.11 0.42 -0.11 0.00 0.36 0.00 0.00 54.97 55.52 1bic s GLU 214 Cb 0.15 -3.58 0.04 0.00 0.26 0.00 0.00 34.13 31.00 1bic s GLU 214 CO 0.84 -0.19 1.08 -2.14 -0.54 0.00 0.00 175.26 174.31 1bic s PRO 215 N 1.77 2.46 0.16 4.30 0.02 -1.26 -4.64 135.00 137.80 1bic s PRO 215 Ca 0.24 0.75 0.05 0.00 0.02 0.00 0.00 61.00 62.06 1bic s PRO 215 Cb -0.15 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 1bic s PRO 215 CO 0.09 -1.38 0.12 0.96 -0.33 0.00 0.00 177.00 176.46 1bic s ILE 216 N -3.13 4.42 -0.07 2.83 -4.36 0.17 -4.87 121.20 116.20 1bic s ILE 216 Ca 0.60 -1.08 -0.04 0.00 -0.26 0.00 0.00 60.65 59.87 1bic s ILE 216 Cb -0.14 -3.24 -0.04 0.00 1.25 0.00 0.00 42.46 40.29 1bic s ILE 216 CO 0.54 -0.09 0.11 -0.44 0.24 0.00 0.00 174.94 175.31 1bic s SER 217 N -3.02 6.02 0.06 4.36 0.01 -1.26 -1.47 113.70 118.40 1bic s SER 217 Ca 0.30 0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.90 1bic s SER 217 Cb -0.10 -1.85 -0.03 0.00 0.21 0.00 0.00 66.02 64.25 1bic s SER 217 CO 0.23 0.34 -0.07 0.68 0.41 0.00 0.00 173.24 174.83 1bic s VAL 218 N -1.10 0.57 0.54 3.43 -7.23 -0.68 -3.71 120.40 112.22 1bic s VAL 218 Ca 0.19 -1.43 -0.08 0.00 -1.81 0.00 0.00 61.98 58.84 1bic s VAL 218 Cb -0.12 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 1bic s VAL 218 CO 0.09 -0.60 0.90 -0.94 -0.31 0.00 0.00 175.10 174.23 1bic s SER 219 N -2.20 6.28 0.34 4.85 1.04 -1.17 -0.05 113.70 122.79 1bic s SER 219 Ca -0.01 1.18 0.05 0.00 0.48 0.00 0.00 55.95 57.64 1bic s SER 219 Cb -0.03 -2.36 0.69 0.00 0.10 0.00 0.00 66.02 64.42 1bic s SER 219 CO -0.02 -0.69 1.92 -1.28 0.98 0.00 0.00 173.24 174.15 1bic h SER 220 N 0.08 0.74 0.65 7.02 0.87 -1.93 -1.49 113.55 119.50 1bic h SER 220 Ca -0.46 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.05 1bic h SER 220 Cb 1.20 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.00 1bic h SER 220 CO 0.62 0.45 -0.34 -0.33 -0.53 0.00 0.00 176.83 176.71 1bic h GLU 221 N 0.83 0.00 0.02 2.24 3.07 -1.95 -1.03 114.58 117.76 1bic h GLU 221 Ca 0.37 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.19 1bic h GLU 221 Cb 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1bic h GLU 221 CO -0.14 0.34 -0.16 1.96 -1.40 0.00 0.00 179.01 179.60 1bic h GLN 222 N 0.00 0.07 -0.78 2.33 4.20 -1.68 -3.16 115.11 116.09 1bic h GLN 222 Ca -0.00 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1bic h GLN 222 Cb 0.75 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.53 1bic h GLN 222 CO 0.04 0.98 0.43 0.28 -0.67 0.00 0.00 178.83 179.89 1bic h VAL 223 N -0.78 1.23 -0.67 -0.54 2.07 -1.31 -2.40 116.25 113.85 1bic h VAL 223 Ca -0.03 -0.57 0.11 0.00 0.82 0.00 0.00 66.70 67.04 1bic h VAL 223 Cb 1.05 0.17 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 1bic h VAL 223 CO 0.03 0.26 0.25 -0.07 0.02 0.00 0.00 177.57 178.06 1bic h LEU 224 N 1.09 0.24 -1.73 2.57 3.38 -1.28 -0.82 115.31 118.77 1bic h LEU 224 Ca 0.28 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.30 1bic h LEU 224 Cb 0.02 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1bic h LEU 224 CO -0.04 0.12 -0.17 0.11 0.09 0.00 0.00 178.44 178.55 1bic h LYS 225 N 0.43 0.00 -0.58 1.13 1.57 -1.39 -2.18 116.57 115.55 1bic h LYS 225 Ca 0.35 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.06 1bic h LYS 225 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1bic h LYS 225 CO -0.35 0.17 0.08 0.74 -0.57 0.00 0.00 179.45 179.52 1bic h PHE 226 N 0.00 0.98 0.00 -1.35 -1.00 -1.13 -3.00 116.94 111.44 1bic h PHE 226 Ca -0.00 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.65 1bic h PHE 226 Cb 0.35 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.63 1bic h PHE 226 CO 0.00 0.85 0.00 0.54 -1.61 0.00 0.00 178.31 178.09 1bic n ARG 227 N -4.23 0.32 0.00 1.51 1.74 -0.82 -2.41 116.66 112.77 1bic n ARG 227 Ca 0.04 0.09 0.12 0.00 -0.77 0.00 0.00 57.85 57.32 1bic n ARG 227 Cb 0.28 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.37 1bic n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1bic n LYS 228 N -1.17 0.27 -1.54 5.56 5.02 -1.13 -4.45 118.16 120.71 1bic n LYS 228 Ca 0.09 -0.18 -0.30 0.00 -2.02 0.00 0.00 58.31 55.89 1bic n LYS 228 Cb 0.09 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.69 1bic n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bic s LEU 229 N -2.86 2.78 -0.02 -0.35 1.43 -1.01 -4.87 118.68 113.78 1bic s LEU 229 Ca 0.13 1.43 0.07 0.00 -1.03 0.00 0.00 54.13 54.73 1bic s LEU 229 Cb 0.17 -4.12 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 1bic s LEU 229 CO 0.70 -1.81 -0.22 0.20 0.23 0.00 0.00 176.35 175.45 1bic s ASN 230 N -3.84 3.43 0.09 2.29 0.02 0.38 0.11 114.94 117.42 1bic s ASN 230 Ca 0.60 -0.39 -0.14 0.00 -1.02 0.00 0.00 52.86 51.92 1bic s ASN 230 Cb -0.14 -0.52 -0.18 0.00 0.02 0.00 0.00 41.25 40.43 1bic s ASN 230 CO 0.55 0.32 1.27 -0.26 0.02 0.00 0.00 177.10 178.99 1bic h PHE 231 N 5.32 1.03 -4.22 2.20 0.04 -1.57 -3.33 116.94 116.42 1bic h PHE 231 Ca -0.45 -0.48 -0.50 0.00 2.80 0.00 0.00 57.97 59.34 1bic h PHE 231 Cb 1.13 -0.15 0.13 0.00 2.20 0.00 0.00 35.95 39.26 1bic h PHE 231 CO 0.44 1.31 0.30 0.54 -0.60 0.00 0.00 178.31 180.31 1bic s ASN 232 N -7.11 4.17 0.56 2.17 4.22 -1.26 -4.39 114.94 113.31 1bic s ASN 232 Ca -0.10 1.56 -0.04 0.00 -2.14 0.00 0.00 52.86 52.14 1bic s ASN 232 Cb 0.08 -2.28 0.01 0.00 1.28 0.00 0.00 41.25 40.34 1bic s ASN 232 CO 0.90 -2.21 0.84 -0.83 -2.04 0.00 0.00 177.10 173.77 1bic s GLY 233 N -3.55 1.62 0.38 0.45 0.00 -1.26 -1.54 107.32 103.42 1bic s GLY 233 Ca 0.62 -0.84 -0.27 0.00 0.00 0.00 0.00 44.72 44.22 1bic s GLY 233 CO 0.56 -0.58 1.37 -2.21 0.00 0.00 0.00 173.10 172.25 1bic n GLU 234 N -2.46 2.31 -0.71 2.90 2.13 -1.26 -1.88 120.64 121.67 1bic n GLU 234 Ca 0.04 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.67 1bic n GLU 234 Cb 0.58 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.79 1bic n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bic n GLY 235 N 0.64 1.58 3.96 8.31 0.00 -1.26 -5.02 105.19 113.40 1bic n GLY 235 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1bic n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bic s GLU 236 N -0.00 3.18 0.34 1.61 2.02 -0.79 -5.05 118.70 120.00 1bic s GLU 236 Ca 0.00 -0.96 -0.29 0.00 0.02 0.00 0.00 54.97 53.74 1bic s GLU 236 Cb 0.00 -2.79 -0.12 0.00 0.10 0.00 0.00 34.13 31.32 1bic s GLU 236 CO 0.00 0.22 1.48 -2.30 0.02 0.00 0.00 175.26 174.67 1bic n PRO 237 N -1.50 2.53 -2.26 0.39 -0.02 -1.26 -4.89 135.00 128.00 1bic n PRO 237 Ca -0.04 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 1bic n PRO 237 Cb 0.58 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 1bic n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1bic s GLU 238 N -1.46 4.28 -0.22 -0.52 2.12 -1.26 -4.77 118.70 116.87 1bic s GLU 238 Ca 0.58 1.91 -0.01 0.00 0.36 0.00 0.00 54.97 57.81 1bic s GLU 238 Cb -0.51 -3.63 0.06 0.00 0.26 0.00 0.00 34.13 30.30 1bic s GLU 238 CO 0.58 -0.60 -0.00 -1.21 -0.54 0.00 0.00 175.26 173.49 1bic s GLU 239 N 2.67 1.10 0.38 4.30 2.02 -1.26 -5.08 118.70 122.83 1bic s GLU 239 Ca 0.63 -0.70 -0.28 0.00 0.02 0.00 0.00 54.97 54.63 1bic s GLU 239 Cb -0.29 -2.33 -0.11 0.00 0.10 0.00 0.00 34.13 31.50 1bic s GLU 239 CO 0.25 -0.63 1.47 -0.51 0.02 0.00 0.00 175.26 175.86 1bic s LEU 240 N 1.64 4.31 -0.81 1.80 1.43 -1.26 -1.64 118.68 124.14 1bic s LEU 240 Ca -0.03 3.02 -0.24 0.00 -1.03 0.00 0.00 54.13 55.85 1bic s LEU 240 Cb -0.18 -3.69 0.05 0.00 0.03 0.00 0.00 46.19 42.40 1bic s LEU 240 CO -0.08 -0.88 1.25 -0.32 0.23 0.00 0.00 176.35 176.55 1bic s MET 241 N -2.11 3.31 0.03 1.70 -2.45 0.29 -4.67 119.30 115.40 1bic s MET 241 Ca 0.53 -0.70 -0.07 0.00 -1.25 0.00 0.00 55.69 54.20 1bic s MET 241 Cb -0.46 -4.54 -0.00 0.00 1.25 0.00 0.00 34.83 31.08 1bic s MET 241 CO 0.62 -2.07 0.14 0.14 1.05 0.00 0.00 175.02 174.91 1bic s VAL 242 N 4.97 0.12 -1.29 10.11 -7.23 -1.26 -4.52 120.40 121.29 1bic s VAL 242 Ca 0.35 -0.95 -0.04 0.00 -1.81 0.00 0.00 61.98 59.52 1bic s VAL 242 Cb -0.08 -0.84 0.01 0.00 0.56 0.00 0.00 36.38 36.04 1bic s VAL 242 CO 0.06 -0.53 1.06 0.47 -0.31 0.00 0.00 175.10 175.85 1bic n ASP 243 N 0.83 -3.94 -2.42 4.85 8.00 -0.70 -4.86 116.55 118.30 1bic n ASP 243 Ca -0.19 -0.61 -0.29 0.00 0.71 0.00 0.00 54.79 54.41 1bic n ASP 243 Cb 0.58 -4.97 0.01 0.00 -0.02 0.00 0.00 41.12 36.72 1bic n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bic n ASN 244 N -3.07 6.91 -4.35 -2.24 6.94 -1.11 -4.89 115.26 113.45 1bic n ASN 244 Ca -0.15 -3.41 -0.28 0.00 -0.02 0.00 0.00 54.58 50.72 1bic n ASN 244 Cb 0.62 -1.12 -0.13 0.00 -2.36 0.00 0.00 39.78 36.79 1bic n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1bic s TRP 245 N -2.60 2.16 -0.12 -2.53 1.48 -1.26 -4.68 118.94 111.39 1bic s TRP 245 Ca 0.52 -0.39 -0.07 0.00 -1.06 0.00 0.00 56.10 55.10 1bic s TRP 245 Cb 0.39 -1.20 -0.04 0.00 -1.16 0.00 0.00 33.47 31.45 1bic s TRP 245 CO -0.18 0.26 0.13 0.50 -4.06 0.00 0.00 176.95 173.60 1bic s ARG 246 N -1.84 3.47 0.80 3.25 3.52 -1.26 -4.98 118.95 121.91 1bic s ARG 246 Ca 0.12 -0.15 -0.11 0.00 -0.13 0.00 0.00 55.73 55.45 1bic s ARG 246 Cb -0.10 -3.18 0.07 0.00 -1.56 0.00 0.00 34.95 30.18 1bic s ARG 246 CO 0.05 0.74 1.09 -2.14 -0.81 0.00 0.00 175.30 174.22 1bic s PRO 247 N -0.91 2.06 0.35 5.12 0.02 -1.26 -4.68 135.00 135.70 1bic s PRO 247 Ca 0.14 1.08 -0.29 0.00 0.02 0.00 0.00 61.00 61.96 1bic s PRO 247 Cb -0.12 -1.88 -0.11 0.00 0.02 0.00 0.00 34.50 32.41 1bic s PRO 247 CO 0.03 -1.76 1.53 0.00 -0.33 0.00 0.00 177.00 176.48 1bic n ALA 248 N -3.59 2.47 -2.76 -1.55 0.00 -1.26 -4.40 120.51 109.42 1bic n ALA 248 Ca 0.09 0.35 -0.23 0.00 0.00 0.00 0.00 53.44 53.65 1bic n ALA 248 Cb 0.54 -2.44 -0.05 0.00 0.00 0.00 0.00 19.45 17.49 1bic n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1bic s GLN 249 N -1.60 2.72 0.27 0.00 -1.52 0.29 -4.95 119.66 114.87 1bic s GLN 249 Ca 0.57 -1.15 -0.30 0.00 -1.95 0.00 0.00 55.36 52.53 1bic s GLN 249 Cb -0.48 -2.45 -0.11 0.00 -0.22 0.00 0.00 33.01 29.76 1bic s GLN 249 CO 0.59 0.40 1.50 -1.25 -0.25 0.00 0.00 175.29 176.28 1bic s PRO 250 N -3.70 4.21 0.30 2.91 0.04 -1.26 -4.55 135.00 132.95 1bic s PRO 250 Ca 0.32 2.42 0.03 0.00 0.04 0.00 0.00 61.00 63.81 1bic s PRO 250 Cb -0.08 -3.07 0.49 0.00 0.04 0.00 0.00 34.50 31.88 1bic s PRO 250 CO 0.23 -0.50 1.79 1.25 0.04 0.00 0.00 177.00 179.81 1bic h LEU 251 N 4.84 0.52 0.00 -3.56 5.85 -1.95 -3.44 115.31 117.56 1bic h LEU 251 Ca -0.47 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.12 1bic h LEU 251 Cb 1.22 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1bic h LEU 251 CO 0.77 0.67 0.00 0.29 -0.34 0.00 0.00 178.44 179.83 1bic n LYS 252 N -4.20 0.00 -1.06 1.25 5.02 -1.26 -3.31 118.16 114.59 1bic n LYS 252 Ca 0.01 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.15 1bic n LYS 252 Cb 0.32 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.18 1bic n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1bic n ASN 253 N 1.17 5.54 -4.20 4.39 5.15 -1.26 -4.88 115.26 121.17 1bic n ASN 253 Ca 0.00 -2.54 -0.15 0.00 -0.60 0.00 0.00 54.58 51.29 1bic n ASN 253 Cb 0.00 -1.41 -0.11 0.00 -0.53 0.00 0.00 39.78 37.73 1bic n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1bic s ARG 254 N 0.84 0.90 -0.05 1.20 0.52 -1.21 -5.13 118.95 116.03 1bic s ARG 254 Ca 0.66 -1.22 0.04 0.00 -0.52 0.00 0.00 55.73 54.70 1bic s ARG 254 Cb 0.32 -0.59 -0.00 0.00 0.52 0.00 0.00 34.95 35.19 1bic s ARG 254 CO -0.02 0.09 -0.19 -1.14 0.02 0.00 0.00 175.30 174.06 1bic s GLN 255 N -2.94 2.01 -0.09 3.54 0.74 -1.26 -5.03 119.66 116.62 1bic s GLN 255 Ca 0.08 -0.66 -0.15 0.00 0.05 0.00 0.00 55.36 54.67 1bic s GLN 255 Cb -0.02 -1.70 -0.05 0.00 1.10 0.00 0.00 33.01 32.34 1bic s GLN 255 CO 0.00 0.24 0.38 0.42 -0.55 0.00 0.00 175.29 175.78 1bic s ILE 256 N 0.08 5.19 0.10 -2.34 1.01 -1.26 -4.73 121.20 119.25 1bic s ILE 256 Ca -0.06 0.74 0.06 0.00 0.00 0.00 0.00 60.65 61.39 1bic s ILE 256 Cb -0.13 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1bic s ILE 256 CO 0.03 0.44 -0.04 -0.54 0.00 0.00 0.00 174.94 174.84 1bic s LYS 257 N -0.06 2.39 0.00 2.79 1.02 -0.41 -1.41 119.74 124.05 1bic s LYS 257 Ca 0.21 -0.91 0.05 0.00 0.02 0.00 0.00 55.97 55.35 1bic s LYS 257 Cb -0.15 -2.45 -0.03 0.00 -0.52 0.00 0.00 37.83 34.68 1bic s LYS 257 CO 0.09 0.53 -0.14 0.00 -0.92 0.00 0.00 175.35 174.90 1bic s ALA 258 N -1.28 2.70 -1.73 5.17 0.00 0.49 -0.47 121.76 126.65 1bic s ALA 258 Ca 0.24 -1.08 0.28 0.00 0.00 0.00 0.00 51.96 51.40 1bic s ALA 258 Cb -0.11 -0.90 0.99 0.00 0.00 0.00 0.00 23.12 23.10 1bic s ALA 258 CO 0.17 0.58 1.71 -1.13 0.00 0.00 0.00 175.76 177.08 1bic n SER 259 N 1.83 0.78 -3.87 0.00 3.41 -0.30 -1.20 113.62 114.27 1bic n SER 259 Ca -0.16 -0.76 -0.18 0.00 -0.26 0.00 0.00 58.87 57.51 1bic n SER 259 Cb 0.52 0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 64.41 1bic n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1bic s PHE 260 N -2.47 1.57 0.00 7.33 -0.71 -1.26 -4.91 117.98 117.53 1bic s PHE 260 Ca 0.27 -1.44 0.00 0.00 -1.04 0.00 0.00 56.93 54.72 1bic s PHE 260 Cb 0.20 -0.78 0.00 0.00 -1.21 0.00 0.00 43.02 41.23 1bic s PHE 260 CO 0.49 -0.62 0.00 0.36 -1.34 0.00 0.00 175.22 174.11