#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bab s GLU 2 N 0.00 2.56 -0.08 0.03 2.02 -1.26 -4.95 118.70 117.01 1bab s GLU 2 Ca 0.00 -1.29 -0.18 0.00 0.02 0.00 0.00 54.97 53.52 1bab s GLU 2 Cb 0.00 -2.33 -0.05 0.00 0.10 0.00 0.00 34.13 31.86 1bab s GLU 2 CO 0.00 0.34 0.47 -0.51 0.02 0.00 0.00 175.26 175.58 1bab s LEU 3 N -3.77 4.33 0.69 1.80 1.43 -1.26 -5.07 118.68 116.84 1bab s LEU 3 Ca 0.33 0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 54.20 1bab s LEU 3 Cb -0.06 -2.69 0.01 0.00 0.03 0.00 0.00 46.19 43.47 1bab s LEU 3 CO 0.22 0.08 1.08 -0.94 0.23 0.00 0.00 176.35 177.03 1bab s SER 4 N 0.17 5.55 0.34 2.29 1.04 -1.26 -4.82 113.70 117.01 1bab s SER 4 Ca 0.26 1.15 0.07 0.00 0.48 0.00 0.00 55.95 57.91 1bab s SER 4 Cb -0.16 -1.99 0.77 0.00 0.10 0.00 0.00 66.02 64.74 1bab s SER 4 CO 0.12 -1.27 1.86 -0.65 0.98 0.00 0.00 173.24 174.28 1bab h PRO 5 N -0.59 0.73 -0.36 4.02 0.11 -1.99 0.31 132.00 134.23 1bab h PRO 5 Ca -0.45 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 1bab h PRO 5 Cb 1.25 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1bab h PRO 5 CO 0.63 0.48 -0.19 0.00 -0.21 0.00 0.00 178.00 178.72 1bab h ALA 6 N 1.59 1.00 -0.53 -0.75 0.00 -2.00 -1.29 119.26 117.28 1bab h ALA 6 Ca 0.45 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1bab h ALA 6 Cb 0.67 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1bab h ALA 6 CO -0.21 0.59 0.35 -0.44 0.00 0.00 0.00 179.25 179.53 1bab h ASP 7 N 0.60 0.62 -0.70 0.00 3.32 -0.87 -1.31 116.42 118.07 1bab h ASP 7 Ca 0.09 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1bab h ASP 7 Cb 0.65 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 1bab h ASP 7 CO 0.05 0.46 0.45 0.11 -1.72 0.00 0.00 179.24 178.58 1bab h LYS 8 N 0.72 0.94 -0.39 3.56 1.57 -0.42 -0.45 116.57 122.10 1bab h LYS 8 Ca 0.19 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1bab h LYS 8 Cb -0.07 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 1bab h LYS 8 CO -0.04 0.64 0.21 1.15 -0.57 0.00 0.00 179.45 180.84 1bab h THR 9 N 0.95 1.15 -0.43 -0.16 2.02 -1.00 -0.36 112.91 115.08 1bab h THR 9 Ca 0.26 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1bab h THR 9 Cb -0.08 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1bab h THR 9 CO -0.05 0.15 0.28 0.78 0.37 0.00 0.00 175.52 177.05 1bab h ASN 10 N 0.50 0.48 0.01 4.18 2.35 -0.88 -0.03 115.58 122.19 1bab h ASN 10 Ca 0.14 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1bab h ASN 10 Cb 0.05 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1bab h ASN 10 CO -0.02 0.35 -0.01 0.58 -1.65 0.00 0.00 177.43 176.68 1bab h VAL 11 N 0.57 1.13 -0.76 2.81 2.07 -1.00 0.20 116.25 121.28 1bab h VAL 11 Ca 0.16 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1bab h VAL 11 Cb -0.06 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1bab h VAL 11 CO -0.04 0.12 0.43 0.11 0.02 0.00 0.00 177.57 178.21 1bab h LYS 12 N -0.21 1.04 0.19 1.57 1.57 -0.95 -0.40 116.57 119.38 1bab h LYS 12 Ca -0.00 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1bab h LYS 12 Cb 0.20 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1bab h LYS 12 CO 0.00 0.75 -0.09 0.00 -0.57 0.00 0.00 179.45 179.55 1bab h ALA 13 N 1.42 -0.25 -0.34 3.86 0.00 -0.83 0.94 119.26 124.06 1bab h ALA 13 Ca 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1bab h ALA 13 Cb 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1bab h ALA 13 CO -0.05 -0.56 0.18 0.00 0.00 0.00 0.00 179.25 178.83 1bab h ALA 14 N 0.36 0.43 -0.30 0.00 0.00 -0.76 -2.01 119.26 116.99 1bab h ALA 14 Ca -0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1bab h ALA 14 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1bab h ALA 14 CO 0.04 -0.04 -0.15 2.35 0.00 0.00 0.00 179.25 181.45 1bab h TRP 15 N 0.42 0.57 -0.30 0.00 2.91 -1.10 -2.09 115.95 116.36 1bab h TRP 15 Ca 0.12 -0.10 0.05 0.00 1.13 0.00 0.00 58.89 60.10 1bab h TRP 15 Cb 0.06 -0.15 -0.05 0.00 -0.51 0.00 0.00 29.16 28.51 1bab h TRP 15 CO -0.03 0.65 -0.02 0.78 -1.03 0.00 0.00 178.44 178.80 1bab h GLY 16 N 0.95 0.28 2.00 2.65 0.00 -0.44 -1.41 103.07 107.11 1bab h GLY 16 Ca 0.08 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 1bab h GLY 16 CO 0.03 -0.08 -0.14 0.50 0.00 0.00 0.00 176.54 176.86 1bab h LYS 17 N 0.07 0.00 -0.16 4.80 1.79 -0.72 -2.79 116.57 119.57 1bab h LYS 17 Ca 0.15 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.59 1bab h LYS 17 Cb 0.20 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 1bab h LYS 17 CO -0.26 0.14 -0.01 0.28 -1.08 0.00 0.00 179.45 178.52 1bab h VAL 18 N 0.00 1.27 0.00 0.50 2.07 -0.72 -3.46 116.25 115.90 1bab h VAL 18 Ca -0.00 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1bab h VAL 18 Cb 0.44 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1bab h VAL 18 CO 0.02 0.26 0.00 0.61 0.02 0.00 0.00 177.57 178.48 1bab n GLY 19 N -0.23 3.28 0.08 2.17 0.00 -0.95 -1.28 105.19 108.26 1bab n GLY 19 Ca -0.05 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 45.94 1bab n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bab n ALA 20 N 10.51 1.46 1.55 4.61 0.00 -1.26 -2.42 120.51 134.96 1bab n ALA 20 Ca 0.00 0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.64 1bab n ALA 20 Cb 0.00 -1.28 0.60 0.00 0.00 0.00 0.00 19.45 18.77 1bab n ALA 20 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1bab n HIS 21 N -1.93 0.00 -0.27 0.00 -0.00 -0.40 -4.32 115.22 108.29 1bab n HIS 21 Ca 0.02 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.82 1bab n HIS 21 Cb 0.15 -0.04 0.23 0.00 -0.00 0.00 0.00 29.99 30.32 1bab n HIS 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1bab h ALA 22 N 4.09 1.13 -0.28 -1.41 0.00 -1.59 -0.97 119.26 120.24 1bab h ALA 22 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1bab h ALA 22 Cb 0.38 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1bab h ALA 22 CO 0.00 -0.32 0.14 0.78 0.00 0.00 0.00 179.25 179.85 1bab h GLY 23 N 0.34 0.43 0.97 0.00 0.00 -1.86 -0.09 103.07 102.86 1bab h GLY 23 Ca 0.47 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.60 1bab h GLY 23 CO -0.51 0.20 0.45 -2.09 0.00 0.00 0.00 176.54 174.60 1bab h GLU 24 N 0.33 0.89 -0.06 4.80 4.81 -1.67 -1.32 114.58 122.35 1bab h GLU 24 Ca 0.10 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 1bab h GLU 24 Cb 0.11 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1bab h GLU 24 CO -0.01 0.59 -0.51 1.88 -0.73 0.00 0.00 179.01 180.22 1bab h TYR 25 N 0.92 0.21 -0.51 0.92 0.05 -0.98 -1.36 116.97 116.20 1bab h TYR 25 Ca 0.26 -0.07 -0.12 0.00 0.05 0.00 0.00 58.73 58.85 1bab h TYR 25 Cb -0.07 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 1bab h TYR 25 CO -0.03 0.65 -0.16 0.78 -1.05 0.00 0.00 178.16 178.35 1bab h GLY 26 N 1.42 1.09 0.96 3.88 0.00 -0.39 -1.13 103.07 108.90 1bab h GLY 26 Ca 0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 47.33 46.37 1bab h GLY 26 CO 0.08 0.83 0.09 0.00 0.00 0.00 0.00 176.54 177.54 1bab h ALA 27 N 0.93 0.59 -0.76 3.60 0.00 -1.03 -1.99 119.26 120.59 1bab h ALA 27 Ca 0.13 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1bab h ALA 27 Cb 0.73 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1bab h ALA 27 CO 0.06 0.30 0.26 1.49 0.00 0.00 0.00 179.25 181.35 1bab h GLU 28 N 0.59 1.17 -0.87 0.00 4.81 -1.12 -1.55 114.58 117.61 1bab h GLU 28 Ca 0.14 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1bab h GLU 28 Cb 0.36 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1bab h GLU 28 CO 0.01 0.98 0.56 0.00 -0.73 0.00 0.00 179.01 179.83 1bab h ALA 29 N 1.14 1.11 -0.48 2.92 0.00 -1.00 0.11 119.26 123.05 1bab h ALA 29 Ca 0.25 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1bab h ALA 29 Cb 0.28 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1bab h ALA 29 CO -0.01 0.53 0.15 -0.07 0.00 0.00 0.00 179.25 179.84 1bab h LEU 30 N 1.19 0.70 -0.45 0.00 3.38 -1.00 -1.18 115.31 117.95 1bab h LEU 30 Ca 0.32 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1bab h LEU 30 Cb -0.11 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1bab h LEU 30 CO -0.07 0.73 0.23 -0.08 0.09 0.00 0.00 178.44 179.34 1bab h GLU 31 N 0.64 0.45 -0.62 1.13 4.81 -0.74 0.29 114.58 120.55 1bab h GLU 31 Ca 0.15 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1bab h GLU 31 Cb 0.28 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1bab h GLU 31 CO -0.00 0.30 0.38 0.00 -0.73 0.00 0.00 179.01 178.96 1bab h ARG 32 N 0.47 0.73 -0.03 1.92 3.08 -0.58 -1.79 114.38 118.19 1bab h ARG 32 Ca 0.19 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1bab h ARG 32 Cb 0.09 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1bab h ARG 32 CO -0.13 0.49 0.02 1.98 -1.07 0.00 0.00 179.97 181.25 1bab h MET 33 N 0.76 0.04 -0.70 0.04 4.05 -0.40 0.86 114.93 119.57 1bab h MET 33 Ca 0.25 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.65 1bab h MET 33 Cb 0.01 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 1bab h MET 33 CO -0.10 0.08 0.37 0.74 0.23 0.00 0.00 176.91 178.23 1bab h PHE 34 N -0.02 0.95 0.11 1.39 0.04 -0.18 0.12 116.94 119.36 1bab h PHE 34 Ca 0.01 -0.02 -0.29 0.00 2.80 0.00 0.00 57.97 60.47 1bab h PHE 34 Cb 0.05 -0.31 0.03 0.00 2.20 0.00 0.00 35.95 37.93 1bab h PHE 34 CO -0.06 0.67 -1.20 -0.07 -0.60 0.00 0.00 178.31 177.06 1bab h LEU 35 N 0.98 0.86 -0.08 1.54 3.38 -1.18 -3.29 115.31 117.51 1bab h LEU 35 Ca 0.25 -0.82 -0.24 0.00 0.09 0.00 0.00 57.88 57.15 1bab h LEU 35 Cb 0.05 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1bab h LEU 35 CO -0.04 1.59 -1.04 0.28 0.09 0.00 0.00 178.44 179.32 1bab h SER 36 N 0.24 0.49 -2.68 -0.43 0.02 -0.70 -3.40 113.55 107.09 1bab h SER 36 Ca -0.18 -0.43 -0.60 0.00 -0.84 0.00 0.00 61.79 59.73 1bab h SER 36 Cb 1.88 -0.15 -0.40 0.00 0.14 0.00 0.00 62.40 63.86 1bab h SER 36 CO 0.23 1.26 -0.80 0.49 -1.14 0.00 0.00 176.83 176.88 1bab n PHE 37 N -3.68 0.96 0.22 3.45 3.72 0.42 -4.99 117.46 117.57 1bab n PHE 37 Ca -0.07 -3.76 0.18 0.00 -0.05 0.00 0.00 57.45 53.74 1bab n PHE 37 Cb 0.89 -0.14 0.85 0.00 -0.94 0.00 0.00 39.48 40.15 1bab n PHE 37 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1bab h PRO 38 N 5.51 0.00 0.00 -1.08 0.11 -1.75 -1.48 132.00 133.31 1bab h PRO 38 Ca 0.22 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 1bab h PRO 38 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1bab h PRO 38 CO 0.53 0.00 -0.04 1.79 -0.21 0.00 0.00 178.00 180.06 1bab h THR 39 N 0.00 0.39 0.00 -1.15 1.35 -1.92 -1.13 112.91 110.45 1bab h THR 39 Ca 0.08 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1bab h THR 39 Cb 0.55 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1bab h THR 39 CO -0.00 0.04 0.00 0.71 -0.25 0.00 0.00 175.52 176.02 1bab h THR 40 N 0.00 0.00 0.00 6.82 1.35 -1.59 -2.35 112.91 117.14 1bab h THR 40 Ca -0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1bab h THR 40 Cb 0.16 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1bab h THR 40 CO 0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1bab h LYS 41 N 0.00 0.00 0.00 4.72 1.57 -1.39 -2.84 116.57 118.63 1bab h LYS 41 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bab h LYS 41 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1bab h LYS 41 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1bab h THR 42 N 0.00 0.00 -0.02 -0.16 1.35 -1.59 -1.86 112.91 110.63 1bab h THR 42 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1bab h THR 42 Cb 0.33 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1bab h THR 42 CO 0.00 0.00 -0.04 -1.22 -0.25 0.00 0.00 175.52 174.01 1bab n TYR 43 N -2.75 0.00 -2.70 4.73 4.01 -1.07 -4.31 117.16 115.06 1bab n TYR 43 Ca -0.01 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.57 1bab n TYR 43 Cb 0.14 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.17 1bab n TYR 43 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1bab n PHE 44 N 0.25 1.83 0.30 -0.72 3.01 -0.70 -4.87 117.46 116.56 1bab n PHE 44 Ca 0.17 -3.11 0.18 0.00 1.01 0.00 0.00 57.45 55.71 1bab n PHE 44 Cb 0.40 -0.31 0.87 0.00 -0.01 0.00 0.00 39.48 40.42 1bab n PHE 44 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1bab h PRO 45 N 2.89 0.00 -0.18 -1.08 0.13 -1.75 -2.42 132.00 129.58 1bab h PRO 45 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1bab h PRO 45 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1bab h PRO 45 CO 0.62 0.02 0.00 -2.39 -0.23 0.00 0.00 178.00 176.02 1bab n HIS 46 N -3.16 0.23 -4.14 1.56 1.44 -1.26 -4.92 115.22 104.97 1bab n HIS 46 Ca -0.01 -0.11 -0.23 0.00 -2.01 0.00 0.00 57.72 55.35 1bab n HIS 46 Cb 0.22 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.28 1bab n HIS 46 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1bab s PHE 47 N -1.77 3.05 -0.34 -1.40 0.40 -0.91 -5.08 117.98 111.93 1bab s PHE 47 Ca 0.34 -0.10 -0.22 0.00 -0.60 0.00 0.00 56.93 56.35 1bab s PHE 47 Cb 0.19 -1.40 0.00 0.00 0.51 0.00 0.00 43.02 42.32 1bab s PHE 47 CO 0.29 0.53 0.70 0.34 0.70 0.00 0.00 175.22 177.78 1bab s ASP 48 N -3.56 6.52 -0.09 1.36 -1.08 -1.26 -4.91 116.67 113.64 1bab s ASP 48 Ca 0.32 0.35 0.19 0.00 -0.52 0.00 0.00 52.55 52.90 1bab s ASP 48 Cb -0.08 -2.36 0.71 0.00 -1.46 0.00 0.00 42.92 39.73 1bab s ASP 48 CO 0.23 -0.61 1.62 0.18 0.52 0.00 0.00 175.17 177.11 1bab n LEU 49 N 6.14 4.61 -4.76 -1.34 4.77 -1.26 -4.51 117.00 120.66 1bab n LEU 49 Ca 0.01 -2.35 -0.33 0.00 -0.03 0.00 0.00 56.01 53.31 1bab n LEU 49 Cb 0.48 -0.56 0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1bab n LEU 49 CO 0.50 0.86 0.75 -0.94 -1.33 0.00 0.00 177.39 177.22 1bab s SER 50 N -0.93 4.79 0.20 -1.43 1.04 -1.26 -4.89 113.70 111.22 1bab s SER 50 Ca 0.51 2.07 -0.32 0.00 0.48 0.00 0.00 55.95 58.69 1bab s SER 50 Cb 0.32 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.75 1bab s SER 50 CO 0.27 -1.85 1.68 1.57 0.98 0.00 0.00 173.24 175.88 1bab n HIS 51 N -2.62 2.64 -0.15 5.02 -0.00 -1.26 -1.30 115.22 117.55 1bab n HIS 51 Ca 0.11 0.11 0.00 0.00 0.46 0.00 0.00 57.72 58.40 1bab n HIS 51 Cb 0.52 -2.64 0.00 0.00 -0.12 0.00 0.00 29.99 27.75 1bab n HIS 51 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1bab n GLY 52 N 3.68 0.91 3.66 1.57 0.00 -1.26 -5.01 105.19 108.73 1bab n GLY 52 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 1bab n GLY 52 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bab n SER 53 N 0.00 2.73 0.24 1.61 2.88 -0.42 -4.84 113.62 115.82 1bab n SER 53 Ca 0.00 1.11 0.11 0.00 -1.33 0.00 0.00 58.87 58.76 1bab n SER 53 Cb 0.00 -1.39 0.54 0.00 -0.75 0.00 0.00 64.21 62.61 1bab n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bab h ALA 54 N 5.14 1.07 -0.35 -1.46 0.00 -1.90 -1.16 119.26 120.58 1bab h ALA 54 Ca -0.45 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.13 1bab h ALA 54 Cb 1.27 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1bab h ALA 54 CO 0.83 0.23 -0.42 1.96 0.00 0.00 0.00 179.25 181.85 1bab h GLN 55 N 0.00 0.89 -0.38 0.00 4.20 -1.88 0.13 115.11 118.06 1bab h GLN 55 Ca -0.00 -0.48 -0.10 0.00 0.06 0.00 0.00 58.65 58.13 1bab h GLN 55 Cb 0.64 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1bab h GLN 55 CO 0.02 1.13 -0.16 0.28 -0.67 0.00 0.00 178.83 179.43 1bab h VAL 56 N 0.72 1.28 -0.34 -0.54 2.07 -1.71 -0.74 116.25 116.99 1bab h VAL 56 Ca 0.05 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.31 1bab h VAL 56 Cb 1.00 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1bab h VAL 56 CO 0.10 0.42 0.18 0.11 0.02 0.00 0.00 177.57 178.41 1bab h LYS 57 N 0.58 0.37 -0.67 1.57 1.57 -1.04 0.36 116.57 119.31 1bab h LYS 57 Ca 0.09 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1bab h LYS 57 Cb 0.70 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 1bab h LYS 57 CO 0.05 0.24 0.30 0.78 -0.57 0.00 0.00 179.45 180.25 1bab h GLY 58 N 0.38 1.06 1.32 3.86 0.00 -0.60 -1.64 103.07 107.46 1bab h GLY 58 Ca 0.13 -0.55 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 1bab h GLY 58 CO -0.07 0.52 -0.37 0.84 0.00 0.00 0.00 176.54 177.46 1bab h HIS 59 N 0.94 0.89 -0.91 5.60 -0.00 -0.88 -2.50 115.15 118.29 1bab h HIS 59 Ca 0.23 -0.25 0.06 0.00 -0.00 0.00 0.00 60.37 60.40 1bab h HIS 59 Cb 0.16 -0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 27.32 1bab h HIS 59 CO 0.01 1.00 0.58 0.78 -0.00 0.00 0.00 177.93 180.30 1bab h GLY 60 N 0.94 1.37 1.11 5.26 0.00 0.12 -0.84 103.07 111.02 1bab h GLY 60 Ca 0.06 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 1bab h GLY 60 CO 0.08 0.31 0.16 1.70 0.00 0.00 0.00 176.54 178.79 1bab h LYS 61 N 1.06 1.10 -0.42 4.80 3.11 -1.06 -0.78 116.57 124.38 1bab h LYS 61 Ca 0.39 -0.26 -0.04 0.00 -2.81 0.00 0.00 60.65 57.92 1bab h LYS 61 Cb 0.14 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.21 1bab h LYS 61 CO -0.16 0.98 0.11 0.87 -2.81 0.00 0.00 179.45 178.43 1bab h LYS 62 N 1.04 0.68 -0.33 1.90 1.57 -0.89 0.65 116.57 121.20 1bab h LYS 62 Ca 0.22 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1bab h LYS 62 Cb 0.38 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1bab h LYS 62 CO 0.00 0.69 0.18 0.28 -0.57 0.00 0.00 179.45 180.03 1bab h VAL 63 N 0.55 1.13 -0.54 0.50 2.07 -1.04 -1.46 116.25 117.46 1bab h VAL 63 Ca 0.13 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1bab h VAL 63 Cb 0.31 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1bab h VAL 63 CO 0.00 0.13 0.11 0.00 0.02 0.00 0.00 177.57 177.83 1bab h ALA 64 N 1.06 0.71 -0.63 1.67 0.00 -0.93 -1.79 119.26 119.34 1bab h ALA 64 Ca 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1bab h ALA 64 Cb 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1bab h ALA 64 CO -0.02 0.43 0.28 -0.44 0.00 0.00 0.00 179.25 179.50 1bab h ASP 65 N 0.77 0.82 -0.84 0.00 3.32 -0.74 0.14 116.42 119.90 1bab h ASP 65 Ca 0.17 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1bab h ASP 65 Cb 0.38 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1bab h ASP 65 CO 0.01 0.72 0.38 0.00 -1.72 0.00 0.00 179.24 178.63 1bab h ALA 66 N 1.41 1.08 -0.31 3.45 0.00 -0.73 -1.35 119.26 122.80 1bab h ALA 66 Ca 0.22 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1bab h ALA 66 Cb 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1bab h ALA 66 CO -0.02 0.66 -0.36 -0.07 0.00 0.00 0.00 179.25 179.46 1bab h LEU 67 N 1.20 0.75 -0.59 0.00 4.07 -0.65 0.12 115.31 120.21 1bab h LEU 67 Ca 0.28 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1bab h LEU 67 Cb 0.15 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 1bab h LEU 67 CO -0.03 1.04 0.37 0.74 -1.08 0.00 0.00 178.44 179.47 1bab h THR 68 N 0.59 1.17 -0.68 0.22 2.02 -0.33 0.61 112.91 116.52 1bab h THR 68 Ca 0.06 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1bab h THR 68 Cb 0.89 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1bab h THR 68 CO 0.08 0.17 0.39 -1.13 0.37 0.00 0.00 175.52 175.40 1bab h ASN 69 N 0.79 0.84 -0.62 4.18 -1.24 -0.90 -1.99 115.58 116.64 1bab h ASN 69 Ca 0.21 -0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 1bab h ASN 69 Cb -0.04 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 38.76 1bab h ASN 69 CO -0.04 0.67 0.34 0.00 -1.29 0.00 0.00 177.43 177.11 1bab h ALA 70 N 1.20 0.79 -0.53 1.57 0.00 -0.42 -2.09 119.26 119.78 1bab h ALA 70 Ca 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1bab h ALA 70 Cb 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1bab h ALA 70 CO -0.04 0.30 0.21 0.28 0.00 0.00 0.00 179.25 180.00 1bab h VAL 71 N 0.84 1.22 0.00 0.00 2.07 -0.39 -1.70 116.25 118.28 1bab h VAL 71 Ca 0.22 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1bab h VAL 71 Cb 0.04 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1bab h VAL 71 CO -0.04 0.26 -0.09 0.00 0.02 0.00 0.00 177.57 177.72 1bab h ALA 72 N 1.06 1.78 -0.60 1.67 0.00 -1.21 -2.90 119.26 119.06 1bab h ALA 72 Ca 0.18 -0.08 -0.44 0.00 0.00 0.00 0.00 54.91 54.57 1bab h ALA 72 Cb 0.20 -0.01 -0.34 0.00 0.00 0.00 0.00 17.79 17.63 1bab h ALA 72 CO -0.01 0.11 -0.74 0.72 0.00 0.00 0.00 179.25 179.33 1bab n HIS 73 N -4.33 2.20 0.25 0.00 -0.00 -0.80 -4.85 115.22 107.68 1bab n HIS 73 Ca -0.03 -2.08 0.15 0.00 -0.00 0.00 0.00 57.72 55.76 1bab n HIS 73 Cb 0.17 -0.33 0.83 0.00 -0.00 0.00 0.00 29.99 30.66 1bab n HIS 73 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1bab h VAL 74 N 1.93 0.59 -0.00 1.59 3.04 -1.10 0.18 116.25 122.48 1bab h VAL 74 Ca 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.99 1bab h VAL 74 Cb 1.43 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 1bab h VAL 74 CO 0.61 0.00 -0.26 0.47 -1.01 0.00 0.00 177.57 177.38 1bab n ASP 75 N -3.96 0.33 -2.79 3.17 8.00 -1.26 -4.16 116.55 115.87 1bab n ASP 75 Ca -0.01 -0.03 -0.13 0.00 0.71 0.00 0.00 54.79 55.33 1bab n ASP 75 Cb 0.19 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.23 1bab n ASP 75 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1bab n ASP 76 N -1.41 1.58 -0.12 -2.24 2.03 0.57 -4.96 116.55 111.99 1bab n ASP 76 Ca 0.07 -2.88 -0.09 0.00 0.52 0.00 0.00 54.79 52.41 1bab n ASP 76 Cb 0.33 -0.55 -0.01 0.00 -0.72 0.00 0.00 41.12 40.17 1bab n ASP 76 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1bab h MET 77 N 2.97 0.56 -0.85 -0.67 2.86 -1.54 -2.72 114.93 115.54 1bab h MET 77 Ca -0.02 -0.10 0.08 0.00 -2.06 0.00 0.00 59.70 57.60 1bab h MET 77 Cb 1.09 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.59 1bab h MET 77 CO 0.53 0.54 0.51 -1.35 1.06 0.00 0.00 176.91 178.20 1bab h PRO 78 N 0.46 0.85 -0.02 -0.22 0.11 -1.93 0.02 132.00 131.28 1bab h PRO 78 Ca 0.12 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 66.01 1bab h PRO 78 Cb 0.19 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.12 1bab h PRO 78 CO -0.01 0.57 -0.68 -0.97 -0.21 0.00 0.00 178.00 176.69 1bab h ASN 79 N 0.88 0.63 -0.35 -2.05 -1.24 -1.96 -1.78 115.58 109.71 1bab h ASN 79 Ca 0.39 -0.73 -0.01 0.00 0.71 0.00 0.00 56.30 56.66 1bab h ASN 79 Cb 0.29 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 1bab h ASN 79 CO -0.22 1.28 0.18 0.00 -1.29 0.00 0.00 177.43 177.39 1bab h ALA 80 N 0.36 1.61 -0.63 1.57 0.00 -1.14 -2.23 119.26 118.81 1bab h ALA 80 Ca -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1bab h ALA 80 Cb 1.37 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1bab h ALA 80 CO 0.14 0.32 0.00 1.28 0.00 0.00 0.00 179.25 180.99 1bab n LEU 81 N -4.41 4.23 -0.21 0.00 4.77 -0.04 -4.70 117.00 116.64 1bab n LEU 81 Ca 0.03 -2.26 0.01 0.00 -0.03 0.00 0.00 56.01 53.76 1bab n LEU 81 Cb 0.12 -0.51 0.12 0.00 -2.33 0.00 0.00 43.42 40.82 1bab n LEU 81 CO 0.36 0.86 0.97 -1.28 -1.33 0.00 0.00 177.39 176.98 1bab h SER 82 N 3.83 0.16 0.07 -1.43 0.87 -0.67 0.28 113.55 116.66 1bab h SER 82 Ca 0.00 0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 1bab h SER 82 Cb 1.20 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.24 1bab h SER 82 CO 0.12 0.09 -0.33 0.00 -0.53 0.00 0.00 176.83 176.18 1bab h ALA 83 N 1.46 1.10 -0.05 6.23 0.00 -1.84 -1.49 119.26 124.67 1bab h ALA 83 Ca 0.33 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1bab h ALA 83 Cb 0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1bab h ALA 83 CO -0.35 0.57 -0.75 1.25 0.00 0.00 0.00 179.25 179.96 1bab h LEU 84 N 0.33 0.37 -0.58 0.00 5.85 -1.68 -0.81 115.31 118.80 1bab h LEU 84 Ca 0.04 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 1bab h LEU 84 Cb 0.74 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1bab h LEU 84 CO 0.06 0.99 0.23 0.28 -0.34 0.00 0.00 178.44 179.66 1bab h SER 85 N 0.20 0.79 -0.32 1.25 0.02 -0.60 -0.89 113.55 114.01 1bab h SER 85 Ca -0.03 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1bab h SER 85 Cb 1.33 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 1bab h SER 85 CO 0.12 0.75 0.20 0.44 -1.14 0.00 0.00 176.83 177.20 1bab h ASP 86 N 0.79 0.38 -0.31 3.07 3.32 -1.16 -0.71 116.42 121.80 1bab h ASP 86 Ca 0.19 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1bab h ASP 86 Cb 0.20 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1bab h ASP 86 CO -0.02 0.31 0.21 0.25 -1.72 0.00 0.00 179.24 178.27 1bab h LEU 87 N 0.42 0.36 -0.35 1.55 5.85 -0.91 0.10 115.31 122.33 1bab h LEU 87 Ca 0.12 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 1bab h LEU 87 Cb -0.01 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 1bab h LEU 87 CO -0.02 0.26 -0.42 0.45 -0.34 0.00 0.00 178.44 178.38 1bab h HIS 88 N 0.42 1.09 -0.33 1.25 3.86 -1.07 -1.22 115.15 119.16 1bab h HIS 88 Ca 0.11 -0.34 -0.15 0.00 -1.16 0.00 0.00 60.37 58.83 1bab h HIS 88 Cb -0.05 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.20 1bab h HIS 88 CO -0.05 1.17 -0.37 0.00 0.86 0.00 0.00 177.93 179.54 1bab h ALA 89 N 0.74 0.49 0.00 2.45 0.00 -0.93 0.45 119.26 122.45 1bab h ALA 89 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1bab h ALA 89 Cb 1.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1bab h ALA 89 CO 0.10 0.57 -1.76 0.72 0.00 0.00 0.00 179.25 178.88 1bab n HIS 90 N -4.14 0.00 0.04 0.00 8.25 0.33 -4.57 115.22 115.13 1bab n HIS 90 Ca -0.03 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1bab n HIS 90 Cb 0.53 -0.38 -0.00 0.00 1.12 0.00 0.00 29.99 31.25 1bab n HIS 90 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1bab n LYS 91 N -2.08 0.01 -0.09 -0.41 4.81 -0.68 -4.87 118.16 114.85 1bab n LYS 91 Ca -0.02 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.31 1bab n LYS 91 Cb 0.49 -0.44 -0.04 0.00 0.02 0.00 0.00 35.03 35.06 1bab n LYS 91 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1bab h LEU 92 N -0.02 0.46 -1.55 3.14 3.38 -1.36 -3.47 115.31 115.90 1bab h LEU 92 Ca 0.00 -0.33 -0.38 0.00 0.09 0.00 0.00 57.88 57.26 1bab h LEU 92 Cb 0.02 -0.13 0.11 0.00 0.09 0.00 0.00 40.66 40.75 1bab h LEU 92 CO 0.00 0.69 -0.78 0.54 0.09 0.00 0.00 178.44 178.98 1bab n ARG 93 N -4.59 -6.09 -2.43 1.13 1.74 0.16 -4.93 116.66 101.64 1bab n ARG 93 Ca -0.03 0.74 -0.42 0.00 -0.77 0.00 0.00 57.85 57.37 1bab n ARG 93 Cb 0.27 -5.59 -0.03 0.00 -1.02 0.00 0.00 32.46 26.09 1bab n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bab s VAL 94 N -3.46 4.09 0.28 1.55 1.01 -1.25 -4.96 120.40 117.65 1bab s VAL 94 Ca 0.13 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.29 1bab s VAL 94 Cb -0.06 -3.96 -0.12 0.00 0.00 0.00 0.00 36.38 32.24 1bab s VAL 94 CO 0.77 0.09 1.46 -0.67 0.00 0.00 0.00 175.10 176.76 1bab n ASP 95 N 4.18 3.20 -0.10 3.32 -0.08 -1.26 -4.83 116.55 120.98 1bab n ASP 95 Ca 0.09 1.16 0.23 0.00 -1.51 0.00 0.00 54.79 54.76 1bab n ASP 95 Cb 0.46 -1.50 0.68 0.00 2.34 0.00 0.00 41.12 43.10 1bab n ASP 95 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1bab h PRO 96 N 4.16 0.05 -0.66 -0.67 0.11 -2.00 -1.63 132.00 131.36 1bab h PRO 96 Ca -0.46 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.77 1bab h PRO 96 Cb 1.26 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 1bab h PRO 96 CO 0.75 0.03 0.45 0.28 -0.21 0.00 0.00 178.00 179.30 1bab h VAL 97 N 0.05 0.83 0.00 3.15 2.07 -2.04 -2.52 116.25 117.80 1bab h VAL 97 Ca 0.34 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.71 1bab h VAL 97 Cb 1.29 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1bab h VAL 97 CO -0.02 0.06 -0.16 0.78 0.02 0.00 0.00 177.57 178.26 1bab h ASN 98 N 0.36 0.00 -0.17 0.57 4.21 -1.65 -2.68 115.58 116.22 1bab h ASN 98 Ca 0.32 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.79 1bab h ASN 98 Cb 0.75 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.93 1bab h ASN 98 CO -0.09 0.16 0.02 -0.26 -1.29 0.00 0.00 177.43 175.97 1bab h PHE 99 N 0.00 0.39 -0.10 1.19 -1.00 -1.64 -1.41 116.94 114.37 1bab h PHE 99 Ca -0.00 -0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.64 1bab h PHE 99 Cb 0.29 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 1bab h PHE 99 CO 0.00 0.38 -0.46 1.57 -1.61 0.00 0.00 178.31 178.19 1bab h LYS 100 N 0.38 0.25 -0.11 1.51 2.10 -1.63 -1.01 116.57 118.05 1bab h LYS 100 Ca 0.09 -0.13 -0.04 0.00 -2.00 0.00 0.00 60.65 58.57 1bab h LYS 100 Cb 0.22 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1bab h LYS 100 CO 0.00 0.66 -0.07 -0.07 -2.00 0.00 0.00 179.45 177.97 1bab h LEU 101 N 0.21 0.26 -0.46 7.07 3.38 -1.40 -1.53 115.31 122.84 1bab h LEU 101 Ca 0.01 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1bab h LEU 101 Cb 0.89 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1bab h LEU 101 CO 0.07 0.65 0.26 0.25 0.09 0.00 0.00 178.44 179.76 1bab h LEU 102 N -0.12 0.56 -0.41 1.67 6.46 -1.20 -2.09 115.31 120.19 1bab h LEU 102 Ca 0.02 -0.08 0.06 0.00 -0.12 0.00 0.00 57.88 57.77 1bab h LEU 102 Cb 0.56 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.29 1bab h LEU 102 CO 0.02 0.48 0.08 0.28 -0.62 0.00 0.00 178.44 178.67 1bab h SER 103 N 0.60 -0.00 -0.30 1.25 0.02 -1.11 0.10 113.55 114.10 1bab h SER 103 Ca 0.16 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.20 1bab h SER 103 Cb 0.03 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1bab h SER 103 CO -0.03 0.03 0.15 -0.74 -1.14 0.00 0.00 176.83 175.10 1bab h HIS 104 N 0.20 0.27 -0.46 3.45 -0.00 -1.11 -0.50 115.15 117.00 1bab h HIS 104 Ca 0.20 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.57 1bab h HIS 104 Cb 0.24 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.55 1bab h HIS 104 CO -0.21 0.15 0.23 0.00 -0.00 0.00 0.00 177.93 178.10 1bab h LEU 106 N 0.65 0.75 -0.34 0.00 5.85 -0.29 -1.82 115.31 120.11 1bab h LEU 106 Ca 0.16 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1bab h LEU 106 Cb 0.05 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1bab h LEU 106 CO -0.02 0.88 0.20 0.25 -0.34 0.00 0.00 178.44 179.41 1bab h LEU 107 N 0.60 0.41 -0.67 2.25 5.85 -0.49 -0.05 115.31 123.20 1bab h LEU 107 Ca 0.12 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1bab h LEU 107 Cb 0.51 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1bab h LEU 107 CO 0.02 0.35 0.38 0.58 -0.34 0.00 0.00 178.44 179.43 1bab h VAL 108 N 0.43 0.99 -0.39 1.05 2.07 -1.06 0.87 116.25 120.21 1bab h VAL 108 Ca 0.12 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1bab h VAL 108 Cb 0.02 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1bab h VAL 108 CO -0.02 0.13 0.20 0.74 0.02 0.00 0.00 177.57 178.63 1bab h THR 109 N 0.71 1.16 -0.36 2.57 2.02 -0.92 -0.98 112.91 117.12 1bab h THR 109 Ca 0.30 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1bab h THR 109 Cb 0.16 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1bab h THR 109 CO -0.17 0.17 0.15 -0.07 0.37 0.00 0.00 175.52 175.98 1bab h LEU 110 N 0.50 0.48 -0.76 2.58 4.07 -0.56 -2.67 115.31 118.95 1bab h LEU 110 Ca 0.14 -0.15 0.09 0.00 0.08 0.00 0.00 57.88 58.04 1bab h LEU 110 Cb 0.10 -0.12 -0.07 0.00 1.08 0.00 0.00 40.66 41.64 1bab h LEU 110 CO -0.02 0.50 0.41 0.00 -1.08 0.00 0.00 178.44 178.26 1bab h ALA 111 N 1.00 1.07 0.00 1.53 0.00 -0.46 0.20 119.26 122.60 1bab h ALA 111 Ca 0.12 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1bab h ALA 111 Cb 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bab h ALA 111 CO -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 179.25 179.21 1bab h ALA 112 N 1.44 1.03 0.00 0.00 0.00 -0.89 -3.29 119.26 117.55 1bab h ALA 112 Ca 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1bab h ALA 112 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1bab h ALA 112 CO -0.26 0.06 -1.15 0.72 0.00 0.00 0.00 179.25 178.62 1bab n HIS 113 N -3.19 0.00 -3.03 0.00 -0.00 -0.91 -4.80 115.22 103.28 1bab n HIS 113 Ca -0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.47 1bab n HIS 113 Cb 0.30 -0.14 -0.04 0.00 -0.00 0.00 0.00 29.99 30.10 1bab n HIS 113 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1bab n LEU 114 N -1.65 3.72 -0.03 2.41 4.77 0.01 -4.95 117.00 121.28 1bab n LEU 114 Ca -0.01 -5.53 -0.14 0.00 -0.03 0.00 0.00 56.01 50.30 1bab n LEU 114 Cb 0.19 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 1bab n LEU 114 CO 0.17 2.31 0.54 1.55 -1.33 0.00 0.00 177.39 180.63 1bab h PRO 115 N 3.11 -0.50 -0.89 3.23 0.13 -1.82 -0.29 132.00 134.97 1bab h PRO 115 Ca 0.13 0.03 0.05 0.00 -0.87 0.00 0.00 66.00 65.35 1bab h PRO 115 Cb 0.60 0.11 -0.06 0.00 0.13 0.00 0.00 31.00 31.79 1bab h PRO 115 CO 0.76 -0.33 0.56 0.00 -0.23 0.00 0.00 178.00 178.76 1bab h ALA 116 N -0.07 1.20 0.00 -0.56 0.00 -1.94 -3.03 119.26 114.87 1bab h ALA 116 Ca 0.06 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1bab h ALA 116 Cb 0.65 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1bab h ALA 116 CO -0.45 0.35 -0.74 1.05 0.00 0.00 0.00 179.25 179.46 1bab h GLU 117 N 1.05 0.00 -2.99 0.00 9.09 -1.86 -3.39 114.58 116.48 1bab h GLU 117 Ca 0.37 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 59.16 1bab h GLU 117 Cb 0.11 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.23 1bab h GLU 117 CO -0.15 0.32 3.55 0.34 0.05 0.00 0.00 179.01 183.12 1bab n PHE 118 N -3.05 2.21 -1.58 2.06 7.35 -0.16 -4.75 117.46 119.53 1bab n PHE 118 Ca -0.01 -2.92 -0.29 0.00 -0.76 0.00 0.00 57.45 53.47 1bab n PHE 118 Cb 0.72 -2.38 0.11 0.00 0.35 0.00 0.00 39.48 38.27 1bab n PHE 118 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bab s THR 119 N 2.22 2.51 0.24 -2.13 -4.23 -1.26 -4.74 115.64 108.25 1bab s THR 119 Ca 0.67 0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 61.29 1bab s THR 119 Cb 0.18 -2.94 0.20 0.00 1.34 0.00 0.00 72.50 71.28 1bab s THR 119 CO -0.05 -0.22 1.84 -0.65 -0.54 0.00 0.00 174.62 174.99 1bab h PRO 120 N -1.26 0.86 -0.60 3.99 0.11 -1.99 0.28 132.00 133.38 1bab h PRO 120 Ca -0.48 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 1bab h PRO 120 Cb 1.30 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1bab h PRO 120 CO 0.61 0.57 0.06 0.00 -0.21 0.00 0.00 178.00 179.03 1bab h ALA 121 N 1.40 0.96 -0.35 -0.75 0.00 -1.96 -1.24 119.26 117.32 1bab h ALA 121 Ca 0.36 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1bab h ALA 121 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1bab h ALA 121 CO -0.19 0.64 -0.35 0.28 0.00 0.00 0.00 179.25 179.64 1bab h VAL 122 N 0.94 1.28 -0.47 0.00 2.07 -1.68 -1.87 116.25 116.52 1bab h VAL 122 Ca 0.18 -1.52 0.06 0.00 0.82 0.00 0.00 66.70 66.25 1bab h VAL 122 Cb 0.46 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 1bab h VAL 122 CO 0.02 0.50 0.15 -0.74 0.02 0.00 0.00 177.57 177.52 1bab h HIS 123 N 0.66 0.27 -0.35 1.57 6.17 -0.25 0.74 115.15 123.96 1bab h HIS 123 Ca 0.06 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.15 1bab h HIS 123 Cb 0.94 -0.05 -0.02 0.00 2.52 0.00 0.00 27.41 30.80 1bab h HIS 123 CO 0.07 0.08 0.18 0.00 0.71 0.00 0.00 177.93 178.97 1bab h ALA 124 N 1.32 0.45 -0.66 5.26 0.00 -1.03 -1.09 119.26 123.52 1bab h ALA 124 Ca 0.22 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1bab h ALA 124 Cb 0.24 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1bab h ALA 124 CO -0.24 0.01 0.19 0.77 0.00 0.00 0.00 179.25 179.98 1bab h SER 125 N 0.44 0.95 -0.56 0.00 0.02 -0.77 -1.74 113.55 111.88 1bab h SER 125 Ca 0.12 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.81 1bab h SER 125 Cb 0.10 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1bab h SER 125 CO -0.02 0.89 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.49 1bab h LEU 126 N 0.97 0.97 -0.38 5.07 3.38 -0.59 -0.03 115.31 124.71 1bab h LEU 126 Ca 0.21 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1bab h LEU 126 Cb 0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1bab h LEU 126 CO -0.01 1.05 0.17 -0.78 0.09 0.00 0.00 178.44 178.96 1bab h ASP 127 N 0.88 0.50 -0.57 -0.43 3.58 -0.93 0.34 116.42 119.80 1bab h ASP 127 Ca 0.16 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1bab h ASP 127 Cb 0.55 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.44 1bab h ASP 127 CO 0.03 0.50 0.33 0.11 -2.88 0.00 0.00 179.24 177.34 1bab h LYS 128 N 0.47 0.78 -0.15 0.28 1.57 -1.12 -1.53 116.57 116.87 1bab h LYS 128 Ca 0.13 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1bab h LYS 128 Cb 0.14 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1bab h LYS 128 CO -0.01 0.57 0.06 0.35 -0.57 0.00 0.00 179.45 179.84 1bab h PHE 129 N 0.77 0.10 -0.58 -1.35 3.57 -0.46 -0.77 116.94 118.22 1bab h PHE 129 Ca 0.20 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1bab h PHE 129 Cb -0.00 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1bab h PHE 129 CO -0.02 0.05 0.24 -0.07 -2.23 0.00 0.00 178.31 176.29 1bab h LEU 130 N 0.13 0.76 -0.90 0.59 3.38 -0.77 -0.17 115.31 118.32 1bab h LEU 130 Ca 0.06 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1bab h LEU 130 Cb 0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1bab h LEU 130 CO -0.06 0.67 0.06 0.00 0.09 0.00 0.00 178.44 179.21 1bab h ALA 131 N 1.44 1.09 -0.36 1.53 0.00 -0.85 0.88 119.26 123.00 1bab h ALA 131 Ca 0.20 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1bab h ALA 131 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1bab h ALA 131 CO -0.02 0.59 -0.00 0.77 0.00 0.00 0.00 179.25 180.58 1bab h SER 132 N 0.82 0.62 -0.19 0.00 0.02 -0.34 -0.34 113.55 114.15 1bab h SER 132 Ca 0.17 -0.31 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1bab h SER 132 Cb 0.40 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1bab h SER 132 CO 0.01 0.78 0.07 0.58 -1.14 0.00 0.00 176.83 177.13 1bab h VAL 133 N 0.45 0.97 -0.66 2.27 2.07 -0.86 -1.00 116.25 119.49 1bab h VAL 133 Ca 0.10 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.64 1bab h VAL 133 Cb 0.46 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 1bab h VAL 133 CO 0.02 0.03 0.32 0.28 0.02 0.00 0.00 177.57 178.24 1bab h SER 134 N 0.17 0.42 -0.52 0.57 0.02 -0.61 0.21 113.55 113.81 1bab h SER 134 Ca 0.08 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1bab h SER 134 Cb 0.04 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1bab h SER 134 CO -0.07 0.26 0.29 0.74 -1.14 0.00 0.00 176.83 176.90 1bab h THR 135 N 0.57 1.18 -0.32 -2.27 2.02 -0.69 -2.31 112.91 111.08 1bab h THR 135 Ca 0.32 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 1bab h THR 135 Cb 0.30 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1bab h THR 135 CO -0.24 0.19 0.09 0.58 0.37 0.00 0.00 175.52 176.50 1bab h VAL 136 N 0.69 1.21 0.00 3.16 2.07 -0.54 -1.75 116.25 121.09 1bab h VAL 136 Ca 0.18 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1bab h VAL 136 Cb 0.05 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1bab h VAL 136 CO -0.03 0.24 -0.02 -0.07 0.02 0.00 0.00 177.57 177.70 1bab h LEU 137 N 0.35 0.00 -2.10 2.57 3.38 -0.69 -2.29 115.31 116.54 1bab h LEU 137 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1bab h LEU 137 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1bab h LEU 137 CO -0.00 0.02 0.00 0.35 0.09 0.00 0.00 178.44 178.90 1bab n THR 138 N -3.48 0.43 0.29 0.22 -2.24 -0.90 -4.51 114.28 104.10 1bab n THR 138 Ca -0.03 -0.71 0.15 0.00 -2.27 0.00 0.00 64.05 61.19 1bab n THR 138 Cb 0.12 0.95 0.90 0.00 -2.10 0.00 0.00 70.33 70.20 1bab n THR 138 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1bab h SER 139 N 2.57 0.00 -0.46 3.42 4.64 -0.71 -2.52 113.55 120.49 1bab h SER 139 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bab h SER 139 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1bab h SER 139 CO 0.00 0.03 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 1bab n LYS 140 N -3.74 3.42 0.04 4.77 5.02 -1.26 -4.63 118.16 121.78 1bab n LYS 140 Ca -0.03 -2.72 0.03 0.00 -2.02 0.00 0.00 58.31 53.57 1bab n LYS 140 Cb 0.12 -1.78 0.40 0.00 -0.02 0.00 0.00 35.03 33.75 1bab n LYS 140 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1bab h TYR 141 N 2.94 0.43 0.00 2.13 -1.99 -1.77 -3.46 116.97 115.25 1bab h TYR 141 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1bab h TYR 141 Cb 1.34 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.93 1bab h TYR 141 CO 0.60 0.36 0.00 2.89 -0.00 0.00 0.00 178.16 182.01