#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rps n HIS 2 N 0.00 1.22 -4.77 3.52 -0.00 -1.26 -4.92 115.22 109.01 1rps n HIS 2 Ca 0.00 0.03 -0.33 0.00 -0.00 0.00 0.00 57.72 57.43 1rps n HIS 2 Cb 0.00 -2.57 -0.12 0.00 -0.00 0.00 0.00 29.99 27.29 1rps n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1rps s LEU 3 N 13.56 2.87 0.45 0.27 1.43 -1.26 -5.09 118.68 130.91 1rps s LEU 3 Ca 0.96 -0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 53.72 1rps s LEU 3 Cb -0.18 -1.61 -0.09 0.00 0.03 0.00 0.00 46.19 44.34 1rps s LEU 3 CO 0.16 0.34 0.92 -0.89 0.23 0.00 0.00 176.35 177.10 1rps s THR 4 N -0.79 4.52 0.45 5.49 2.01 -1.26 -4.80 115.64 121.26 1rps s THR 4 Ca 0.13 1.23 0.27 0.00 0.31 0.00 0.00 61.69 63.62 1rps s THR 4 Cb -0.11 -3.66 0.30 0.00 0.01 0.00 0.00 72.50 69.04 1rps s THR 4 CO 0.02 -0.46 2.10 -0.65 -0.69 0.00 0.00 174.62 174.94 1rps h PRO 5 N 1.51 0.00 0.00 4.92 0.11 -1.99 1.59 132.00 138.14 1rps h PRO 5 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1rps h PRO 5 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1rps h PRO 5 CO 0.62 0.10 -0.39 -0.85 -0.21 0.00 0.00 178.00 177.27 1rps n GLU 6 N -3.71 0.07 0.03 1.05 0.00 -1.26 -2.16 120.64 114.66 1rps n GLU 6 Ca -0.02 0.03 -0.22 0.00 0.00 0.00 0.00 57.16 56.95 1rps n GLU 6 Cb 0.21 -1.55 -0.14 0.00 0.00 0.00 0.00 31.44 29.95 1rps n GLU 6 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1rps h GLU 7 N 0.00 0.30 -0.67 3.44 5.08 -0.68 -2.60 114.58 119.44 1rps h GLU 7 Ca 0.00 -0.51 0.03 0.00 -1.00 0.00 0.00 59.36 57.88 1rps h GLU 7 Cb 0.56 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1rps h GLU 7 CO 0.00 1.24 0.44 0.87 -1.00 0.00 0.00 179.01 180.57 1rps h LYS 8 N -0.03 0.81 0.00 2.33 1.57 0.20 -2.25 116.57 119.20 1rps h LYS 8 Ca -0.37 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.21 1rps h LYS 8 Cb 1.97 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 34.08 1rps h LYS 8 CO 0.10 0.54 -0.89 1.03 -0.57 0.00 0.00 179.45 179.66 1rps h SER 9 N 0.83 0.00 -0.32 0.86 0.87 -1.54 -2.56 113.55 111.69 1rps h SER 9 Ca 0.26 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.64 1rps h SER 9 Cb 0.02 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1rps h SER 9 CO -0.07 0.66 -0.49 0.00 -0.53 0.00 0.00 176.83 176.40 1rps h ALA 10 N 1.34 0.51 0.50 6.23 0.00 -1.07 -2.42 119.26 124.34 1rps h ALA 10 Ca -0.06 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1rps h ALA 10 Cb 1.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1rps h ALA 10 CO 0.08 0.68 -0.24 0.28 0.00 0.00 0.00 179.25 180.05 1rps h VAL 11 N 0.71 0.40 -0.41 0.00 2.07 -1.44 -2.95 116.25 114.63 1rps h VAL 11 Ca 0.03 -0.39 0.07 0.00 0.82 0.00 0.00 66.70 67.23 1rps h VAL 11 Cb 1.09 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 1rps h VAL 11 CO 0.11 0.05 0.03 0.74 0.02 0.00 0.00 177.57 178.53 1rps h THR 12 N -0.94 0.72 -0.75 2.57 2.02 -1.54 -1.00 112.91 114.00 1rps h THR 12 Ca -0.07 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1rps h THR 12 Cb 0.60 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1rps h THR 12 CO 0.11 0.03 0.33 0.00 0.37 0.00 0.00 175.52 176.36 1rps h ALA 13 N 1.35 0.97 -0.39 6.16 0.00 -1.52 -2.55 119.26 123.28 1rps h ALA 13 Ca 0.20 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1rps h ALA 13 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1rps h ALA 13 CO -0.31 0.56 -0.38 1.25 0.00 0.00 0.00 179.25 180.36 1rps h LEU 14 N 1.06 1.01 -1.97 0.00 5.85 -1.27 -3.07 115.31 116.92 1rps h LEU 14 Ca 0.25 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1rps h LEU 14 Cb 0.16 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1rps h LEU 14 CO -0.03 1.26 -0.07 -0.25 -0.34 0.00 0.00 178.44 179.01 1rps h TRP 15 N 0.77 0.00 0.00 1.25 2.91 -0.91 -0.84 115.95 119.14 1rps h TRP 15 Ca 0.06 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.08 1rps h TRP 15 Cb 0.98 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.63 1rps h TRP 15 CO 0.06 0.07 0.00 0.41 -1.03 0.00 0.00 178.44 177.96 1rps n GLY 16 N -1.22 -1.11 0.94 2.65 0.00 -0.99 -1.92 105.19 103.54 1rps n GLY 16 Ca -0.03 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.20 1rps n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rps n LYS 17 N -2.15 2.15 -2.90 1.61 5.02 -0.32 -4.98 118.16 116.59 1rps n LYS 17 Ca 0.01 -1.95 -0.40 0.00 -2.02 0.00 0.00 58.31 53.95 1rps n LYS 17 Cb 0.16 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 1rps n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1rps s VAL 18 N -1.63 4.72 -0.58 -0.18 1.01 -0.81 -5.00 120.40 117.93 1rps s VAL 18 Ca 0.29 1.76 -0.23 0.00 0.00 0.00 0.00 61.98 63.80 1rps s VAL 18 Cb 0.19 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 32.45 1rps s VAL 18 CO 0.28 0.33 0.91 0.21 0.00 0.00 0.00 175.10 176.82 1rps s ASN 19 N 0.12 6.27 0.14 3.32 3.84 -1.26 -4.93 114.94 122.44 1rps s ASN 19 Ca 0.42 -0.63 -0.16 0.00 0.21 0.00 0.00 52.86 52.69 1rps s ASN 19 Cb -0.21 -2.41 0.01 0.00 -0.55 0.00 0.00 41.25 38.09 1rps s ASN 19 CO 0.25 -1.25 1.75 0.58 -2.79 0.00 0.00 177.10 175.64 1rps h VAL 20 N 5.98 1.15 0.03 -5.21 2.07 -1.96 -0.76 116.25 117.56 1rps h VAL 20 Ca -0.27 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 66.90 1rps h VAL 20 Cb 1.08 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 1rps h VAL 20 CO 1.10 0.15 -0.41 0.44 0.02 0.00 0.00 177.57 178.87 1rps h ASP 21 N 0.52 -1.25 0.09 0.57 5.19 -1.93 -1.05 116.42 118.56 1rps h ASP 21 Ca 0.14 0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1rps h ASP 21 Cb 0.05 0.48 0.00 0.00 0.18 0.00 0.00 39.33 40.04 1rps h ASP 21 CO -0.02 -0.46 -0.04 -0.33 -3.12 0.00 0.00 179.24 175.26 1rps h GLU 22 N -0.59 -0.11 -0.21 3.56 5.08 -1.94 -2.94 114.58 117.43 1rps h GLU 22 Ca 0.04 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1rps h GLU 22 Cb 0.66 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1rps h GLU 22 CO -0.30 0.05 -0.26 0.28 -1.00 0.00 0.00 179.01 177.78 1rps h VAL 23 N -0.26 1.26 -0.32 3.13 2.07 -1.04 -2.41 116.25 118.67 1rps h VAL 23 Ca -0.01 -1.23 -0.08 0.00 0.82 0.00 0.00 66.70 66.20 1rps h VAL 23 Cb 0.22 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1rps h VAL 23 CO 0.02 0.38 -0.12 1.23 0.02 0.00 0.00 177.57 179.11 1rps h GLY 24 N 1.02 0.70 1.06 2.17 0.00 -1.22 -0.98 103.07 105.82 1rps h GLY 24 Ca 0.05 -0.61 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 1rps h GLY 24 CO 0.05 0.56 0.06 -1.33 0.00 0.00 0.00 176.54 175.87 1rps h GLY 25 N 0.42 1.12 1.15 4.60 0.00 -1.32 -2.24 103.07 106.81 1rps h GLY 25 Ca 0.08 -0.78 -0.17 0.00 0.00 0.00 0.00 47.33 46.45 1rps h GLY 25 CO 0.04 0.72 -0.47 -2.09 0.00 0.00 0.00 176.54 174.74 1rps h GLU 26 N 0.95 0.91 0.06 4.80 4.81 -1.39 -0.62 114.58 124.10 1rps h GLU 26 Ca 0.18 -0.53 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1rps h GLU 26 Cb 0.48 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1rps h GLU 26 CO 0.02 1.17 -0.03 0.00 -0.73 0.00 0.00 179.01 179.45 1rps h ALA 27 N 0.73 -0.08 -0.57 2.92 0.00 -1.00 -0.78 119.26 120.48 1rps h ALA 27 Ca 0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1rps h ALA 27 Cb 1.07 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1rps h ALA 27 CO 0.11 -0.45 -0.01 1.25 0.00 0.00 0.00 179.25 180.16 1rps h LEU 28 N -0.27 0.98 -0.77 0.00 5.85 -1.46 -1.31 115.31 118.34 1rps h LEU 28 Ca -0.01 -0.31 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 1rps h LEU 28 Cb 0.24 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1rps h LEU 28 CO 0.01 1.05 0.10 1.23 -0.34 0.00 0.00 178.44 180.50 1rps h GLY 29 N 0.89 1.11 1.38 3.75 0.00 -1.09 -2.56 103.07 106.55 1rps h GLY 29 Ca 0.16 -0.73 -0.13 0.00 0.00 0.00 0.00 47.33 46.63 1rps h GLY 29 CO 0.03 0.67 -0.36 3.21 0.00 0.00 0.00 176.54 180.10 1rps h ARG 30 N 0.97 0.69 -0.78 4.80 3.08 -0.91 -1.83 114.38 120.40 1rps h ARG 30 Ca 0.19 -0.34 0.13 0.00 0.07 0.00 0.00 59.98 60.03 1rps h ARG 30 Cb 0.42 -0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.38 1rps h ARG 30 CO 0.01 0.94 0.38 1.25 -1.07 0.00 0.00 179.97 181.48 1rps h LEU 31 N 0.58 0.45 -0.65 3.04 5.85 -1.04 0.36 115.31 123.89 1rps h LEU 31 Ca 0.06 0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 1rps h LEU 31 Cb 0.88 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1rps h LEU 31 CO 0.08 0.21 -0.57 -0.07 -0.34 0.00 0.00 178.44 177.74 1rps h LEU 32 N 0.57 0.00 0.11 2.25 3.38 -1.02 -2.16 115.31 118.45 1rps h LEU 32 Ca 0.42 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.10 1rps h LEU 32 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1rps h LEU 32 CO -0.34 0.57 -1.45 0.58 0.09 0.00 0.00 178.44 177.89 1rps h VAL 33 N 0.00 0.99 -0.18 1.22 2.07 -0.85 -3.32 116.25 116.18 1rps h VAL 33 Ca -0.01 -2.38 -0.17 0.00 0.82 0.00 0.00 66.70 64.96 1rps h VAL 33 Cb 1.14 2.67 -0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1rps h VAL 33 CO 0.07 0.70 -0.60 0.58 0.02 0.00 0.00 177.57 178.34 1rps h VAL 34 N -0.31 1.32 -3.06 2.57 2.07 -0.35 -3.35 116.25 115.14 1rps h VAL 34 Ca -0.32 -1.86 -0.62 0.00 0.82 0.00 0.00 66.70 64.72 1rps h VAL 34 Cb 1.76 1.83 -0.42 0.00 -1.52 0.00 0.00 31.29 32.93 1rps h VAL 34 CO 0.05 0.58 -0.56 -1.22 0.02 0.00 0.00 177.57 176.44 1rps n TYR 35 N -3.94 3.32 0.22 1.57 4.01 -0.81 -4.98 117.16 116.55 1rps n TYR 35 Ca -0.04 -4.31 0.18 0.00 -0.16 0.00 0.00 57.90 53.57 1rps n TYR 35 Cb 0.64 -0.64 0.82 0.00 -0.31 0.00 0.00 39.34 39.85 1rps n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1rps h PRO 36 N 5.35 0.00 0.00 -0.72 0.11 -1.71 -1.99 132.00 133.04 1rps h PRO 36 Ca 0.15 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1rps h PRO 36 Cb 0.75 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 1rps h PRO 36 CO 0.73 0.00 -0.05 0.11 -0.21 0.00 0.00 178.00 178.57 1rps h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -2.37 115.95 112.41 1rps h TRP 37 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.07 1rps h TRP 37 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.97 1rps h TRP 37 CO 0.00 0.05 0.00 1.79 0.09 0.00 0.00 178.44 180.37 1rps h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.68 -2.20 112.91 110.51 1rps h THR 38 Ca -0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1rps h THR 38 Cb 0.53 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1rps h THR 38 CO 0.01 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.84 1rps h GLN 39 N 0.00 0.00 -0.16 4.72 4.20 -1.63 -2.60 115.11 119.64 1rps h GLN 39 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1rps h GLN 39 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1rps h GLN 39 CO 0.00 0.00 0.18 0.07 -0.67 0.00 0.00 178.83 178.41 1rps h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.63 -2.10 114.38 112.22 1rps h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1rps h ARG 40 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1rps h ARG 40 CO 0.00 0.00 -0.58 1.19 0.10 0.00 0.00 179.97 180.68 1rps n PHE 41 N -3.77 0.03 -2.08 4.08 3.72 -0.98 -4.27 117.46 114.19 1rps n PHE 41 Ca 0.01 0.01 -0.21 0.00 -0.05 0.00 0.00 57.45 57.21 1rps n PHE 41 Cb 0.30 -0.24 0.03 0.00 -0.94 0.00 0.00 39.48 38.63 1rps n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1rps n PHE 42 N -1.53 2.54 -0.22 1.38 3.72 -0.79 -4.85 117.46 117.70 1rps n PHE 42 Ca 0.05 -2.19 0.08 0.00 -0.05 0.00 0.00 57.45 55.35 1rps n PHE 42 Cb 0.34 -0.33 0.35 0.00 -0.94 0.00 0.00 39.48 38.91 1rps n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1rps h GLU 43 N 2.18 0.73 0.00 -1.08 4.39 -1.74 -2.10 114.58 116.96 1rps h GLU 43 Ca 0.32 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1rps h GLU 43 Cb 1.50 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 1rps h GLU 43 CO 0.69 0.48 0.00 -1.13 -1.16 0.00 0.00 179.01 177.89 1rps n SER 44 N -4.51 0.00 0.21 1.42 3.41 -1.26 -3.08 113.62 109.81 1rps n SER 44 Ca 0.13 -1.03 0.13 0.00 -0.26 0.00 0.00 58.87 57.84 1rps n SER 44 Cb 0.32 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.54 1rps n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1rps h PHE 45 N 0.00 0.00 0.00 7.33 -1.00 -1.78 -3.49 116.94 118.00 1rps h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1rps h PHE 45 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1rps h PHE 45 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1rps n GLY 46 N 0.94 0.09 3.63 -1.45 0.00 -1.18 -4.79 105.19 102.44 1rps n GLY 46 Ca 0.04 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 1rps n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rps s ASP 47 N -4.00 6.78 -0.07 1.61 2.15 -1.26 -4.88 116.67 117.00 1rps s ASP 47 Ca 0.00 0.89 0.22 0.00 0.43 0.00 0.00 52.55 54.09 1rps s ASP 47 Cb 0.00 -2.44 0.43 0.00 -0.30 0.00 0.00 42.92 40.61 1rps s ASP 47 CO 0.00 -0.60 1.18 0.18 -0.17 0.00 0.00 175.17 175.76 1rps n LEU 48 N 6.19 1.49 -0.08 -1.34 4.77 -1.26 -4.33 117.00 122.44 1rps n LEU 48 Ca 0.06 -2.54 -0.08 0.00 -0.03 0.00 0.00 56.01 53.42 1rps n LEU 48 Cb 0.48 -0.10 0.09 0.00 -2.33 0.00 0.00 43.42 41.55 1rps n LEU 48 CO 0.50 0.76 0.69 0.77 -1.33 0.00 0.00 177.39 178.78 1rps h SER 49 N 1.10 0.77 -3.22 -1.43 4.64 -1.94 -3.45 113.55 110.02 1rps h SER 49 Ca -0.16 -0.29 -0.47 0.00 -0.47 0.00 0.00 61.79 60.40 1rps h SER 49 Cb 1.65 -0.21 -0.14 0.00 -0.31 0.00 0.00 62.40 63.39 1rps h SER 49 CO 0.09 0.99 -0.63 0.42 -0.87 0.00 0.00 176.83 176.83 1rps s THR 50 N -4.57 1.29 0.18 2.95 -4.23 -1.26 -5.06 115.64 104.94 1rps s THR 50 Ca -0.09 -2.03 -0.12 0.00 -1.18 0.00 0.00 61.69 58.27 1rps s THR 50 Cb 0.13 -2.67 0.08 0.00 1.34 0.00 0.00 72.50 71.39 1rps s THR 50 CO 0.84 -0.11 1.77 -0.65 -0.54 0.00 0.00 174.62 175.92 1rps h PRO 51 N 2.19 0.87 -0.50 3.99 0.11 -1.98 -1.49 132.00 135.19 1rps h PRO 51 Ca -0.40 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1rps h PRO 51 Cb 1.24 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1rps h PRO 51 CO 0.69 0.70 0.30 -0.44 -0.21 0.00 0.00 178.00 179.03 1rps h ASP 52 N 0.83 0.61 -0.64 -2.05 3.32 -1.98 0.21 116.42 116.72 1rps h ASP 52 Ca 0.21 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1rps h ASP 52 Cb 0.11 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1rps h ASP 52 CO -0.03 0.49 0.35 0.00 -1.72 0.00 0.00 179.24 178.33 1rps h ALA 53 N 1.14 0.81 0.34 3.45 0.00 -1.85 0.03 119.26 123.18 1rps h ALA 53 Ca 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1rps h ALA 53 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1rps h ALA 53 CO -0.03 0.33 -0.18 0.28 0.00 0.00 0.00 179.25 179.65 1rps h VAL 54 N 0.87 0.64 0.00 0.00 2.07 -0.27 0.10 116.25 119.65 1rps h VAL 54 Ca 0.22 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.70 1rps h VAL 54 Cb 0.04 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1rps h VAL 54 CO -0.04 0.00 -0.22 0.24 0.02 0.00 0.00 177.57 177.57 1rps h MET 55 N -0.48 0.00 -0.00 1.57 2.07 -0.46 -2.27 114.93 115.36 1rps h MET 55 Ca -0.04 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 1rps h MET 55 Cb 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.10 1rps h MET 55 CO 0.07 0.22 -0.32 0.41 1.07 0.00 0.00 176.91 178.36 1rps n GLY 56 N -0.75 -1.28 3.61 8.32 0.00 -0.02 -4.87 105.19 110.20 1rps n GLY 56 Ca -0.02 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1rps n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rps s ASN 57 N -2.95 5.98 0.48 1.61 3.84 -0.01 -4.87 114.94 119.02 1rps s ASN 57 Ca 0.13 1.57 0.14 0.00 0.21 0.00 0.00 52.86 54.91 1rps s ASN 57 Cb 0.18 -2.53 1.14 0.00 -0.55 0.00 0.00 41.25 39.50 1rps s ASN 57 CO 0.63 -1.60 2.08 1.55 -2.79 0.00 0.00 177.10 176.97 1rps h PRO 58 N 12.56 0.20 -0.05 0.43 0.13 -1.90 -0.05 132.00 143.33 1rps h PRO 58 Ca -0.36 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.59 1rps h PRO 58 Cb 1.18 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1rps h PRO 58 CO 1.01 0.14 -0.71 0.87 -0.23 0.00 0.00 178.00 179.07 1rps h LYS 59 N 0.21 0.25 -0.32 0.86 1.57 -1.89 -0.69 116.57 116.56 1rps h LYS 59 Ca 0.11 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1rps h LYS 59 Cb 0.18 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1rps h LYS 59 CO -0.02 0.86 0.15 0.28 -0.57 0.00 0.00 179.45 180.14 1rps h VAL 60 N 0.17 1.16 0.02 0.50 2.07 -1.37 0.25 116.25 119.06 1rps h VAL 60 Ca -0.02 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1rps h VAL 60 Cb 1.26 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1rps h VAL 60 CO 0.11 0.17 -0.01 0.11 0.02 0.00 0.00 177.57 177.97 1rps h LYS 61 N 0.37 -0.02 -0.65 1.57 1.57 -1.10 0.62 116.57 118.92 1rps h LYS 61 Ca 0.11 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1rps h LYS 61 Cb 0.14 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1rps h LYS 61 CO -0.01 -0.00 0.12 0.00 -0.57 0.00 0.00 179.45 178.98 1rps h ALA 62 N 0.94 0.97 -0.39 3.86 0.00 -1.00 -2.14 119.26 121.51 1rps h ALA 62 Ca -0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1rps h ALA 62 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1rps h ALA 62 CO 0.00 0.65 -0.26 1.25 0.00 0.00 0.00 179.25 180.89 1rps h HIS 63 N 1.00 0.93 -0.98 0.00 -0.00 -0.11 -2.97 115.15 113.02 1rps h HIS 63 Ca 0.20 -0.23 0.16 0.00 -0.00 0.00 0.00 60.37 60.50 1rps h HIS 63 Cb 0.41 -0.22 -0.09 0.00 -0.00 0.00 0.00 27.41 27.52 1rps h HIS 63 CO 0.03 0.98 0.62 0.78 -0.00 0.00 0.00 177.93 180.33 1rps h GLY 64 N 0.94 1.60 1.33 5.26 0.00 0.88 -2.22 103.07 110.86 1rps h GLY 64 Ca 0.09 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 1rps h GLY 64 CO 0.07 0.05 -0.14 1.70 0.00 0.00 0.00 176.54 178.22 1rps h LYS 65 N 0.83 0.78 -0.04 4.80 3.64 -1.29 -2.52 116.57 122.77 1rps h LYS 65 Ca 0.52 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1rps h LYS 65 Cb 0.72 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1rps h LYS 65 CO -0.30 0.88 0.01 -0.22 -2.27 0.00 0.00 179.45 177.55 1rps h LYS 66 N 0.70 0.06 -0.27 1.90 3.64 -1.32 -1.23 116.57 120.06 1rps h LYS 66 Ca 0.11 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1rps h LYS 66 Cb 0.63 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 1rps h LYS 66 CO 0.04 0.31 -0.04 0.28 -2.27 0.00 0.00 179.45 177.77 1rps h VAL 67 N -0.20 0.76 0.00 2.00 2.07 -1.42 -1.08 116.25 118.39 1rps h VAL 67 Ca 0.01 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1rps h VAL 67 Cb 0.28 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1rps h VAL 67 CO 0.00 0.00 -0.17 -0.07 0.02 0.00 0.00 177.57 177.35 1rps h LEU 68 N 0.03 0.00 0.12 2.57 4.07 -1.37 -0.82 115.31 119.91 1rps h LEU 68 Ca 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 1rps h LEU 68 Cb 0.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.93 1rps h LEU 68 CO -0.25 0.17 -0.06 1.23 -1.08 0.00 0.00 178.44 178.45 1rps h GLY 69 N 1.53 -0.17 1.01 0.83 0.00 -0.01 1.00 103.07 107.26 1rps h GLY 69 Ca -0.00 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.43 1rps h GLY 69 CO 0.02 -0.06 0.56 0.00 0.00 0.00 0.00 176.54 177.06 1rps h ALA 70 N 0.62 1.49 -0.37 3.60 0.00 -0.79 -2.01 119.26 121.81 1rps h ALA 70 Ca -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1rps h ALA 70 Cb 0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1rps h ALA 70 CO 0.03 0.42 0.11 0.35 0.00 0.00 0.00 179.25 180.16 1rps h PHE 71 N 1.04 0.59 -0.55 0.00 3.04 -0.87 -2.54 116.94 117.66 1rps h PHE 71 Ca 0.35 -0.06 0.08 0.00 3.98 0.00 0.00 57.97 62.32 1rps h PHE 71 Cb 0.07 -0.17 -0.07 0.00 2.56 0.00 0.00 35.95 38.34 1rps h PHE 71 CO -0.00 0.57 0.18 0.77 -2.02 0.00 0.00 178.31 177.81 1rps h SER 72 N 0.44 0.16 -0.78 0.41 0.02 -0.33 0.63 113.55 114.11 1rps h SER 72 Ca 0.12 0.07 0.13 0.00 -0.84 0.00 0.00 61.79 61.28 1rps h SER 72 Cb 0.26 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.81 1rps h SER 72 CO -0.00 0.11 0.51 0.44 -1.14 0.00 0.00 176.83 176.75 1rps h ASP 73 N 0.35 0.49 -0.22 3.07 3.32 -1.08 -1.09 116.42 121.25 1rps h ASP 73 Ca 0.27 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.27 1rps h ASP 73 Cb 0.33 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1rps h ASP 73 CO -0.29 0.26 -0.09 1.23 -1.72 0.00 0.00 179.24 178.64 1rps h GLY 74 N 0.53 0.64 2.00 2.75 0.00 -0.47 -2.79 103.07 105.73 1rps h GLY 74 Ca 0.38 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1rps h GLY 74 CO -0.14 0.41 -0.19 1.41 0.00 0.00 0.00 176.54 178.03 1rps h LEU 75 N 0.55 0.00 -0.09 3.11 3.38 -0.88 -0.60 115.31 120.78 1rps h LEU 75 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1rps h LEU 75 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1rps h LEU 75 CO 0.03 0.19 -0.18 0.00 0.09 0.00 0.00 178.44 178.57 1rps n ALA 76 N -2.47 2.82 -1.83 1.53 0.00 -1.06 -3.83 120.51 115.66 1rps n ALA 76 Ca -0.02 -0.23 0.01 0.00 0.00 0.00 0.00 53.44 53.20 1rps n ALA 76 Cb 0.25 -1.32 0.15 0.00 0.00 0.00 0.00 19.45 18.53 1rps n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rps n HIS 77 N -1.28 0.43 0.24 0.00 8.25 -0.27 -4.88 115.22 117.70 1rps n HIS 77 Ca 0.10 -1.47 0.18 0.00 -0.26 0.00 0.00 57.72 56.26 1rps n HIS 77 Cb 0.31 -0.25 0.88 0.00 1.12 0.00 0.00 29.99 32.06 1rps n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1rps h LEU 78 N 1.22 0.00 -0.03 2.41 3.38 -1.57 0.98 115.31 121.70 1rps h LEU 78 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rps h LEU 78 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1rps h LEU 78 CO 0.13 0.00 -0.10 0.47 0.09 0.00 0.00 178.44 179.03 1rps n ASP 79 N -3.62 0.15 -2.98 -0.43 8.00 -1.26 -3.60 116.55 112.81 1rps n ASP 79 Ca 0.00 0.11 -0.14 0.00 0.71 0.00 0.00 54.79 55.47 1rps n ASP 79 Cb 0.29 -0.28 -0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1rps n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1rps n ASN 80 N -1.38 0.93 -0.21 -2.24 5.15 0.34 -4.91 115.26 112.93 1rps n ASN 80 Ca 0.09 -2.91 -0.04 0.00 -0.60 0.00 0.00 54.58 51.12 1rps n ASN 80 Cb 0.31 -0.50 0.06 0.00 -0.53 0.00 0.00 39.78 39.13 1rps n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1rps h LEU 81 N 2.98 0.59 -0.11 1.20 3.38 -1.71 -1.90 115.31 119.74 1rps h LEU 81 Ca 0.02 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1rps h LEU 81 Cb 1.06 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1rps h LEU 81 CO 0.48 0.41 -0.13 0.11 0.09 0.00 0.00 178.44 179.40 1rps h LYS 82 N 0.72 -0.16 -0.05 1.13 6.56 -1.91 -1.71 116.57 121.14 1rps h LYS 82 Ca 0.25 0.01 -0.11 0.00 -1.06 0.00 0.00 60.65 59.74 1rps h LYS 82 Cb 0.05 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.73 1rps h LYS 82 CO -0.12 -0.11 -0.49 0.78 -2.06 0.00 0.00 179.45 177.46 1rps h GLY 83 N -0.17 0.13 0.95 3.86 0.00 -1.94 -2.45 103.07 103.44 1rps h GLY 83 Ca 0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 1rps h GLY 83 CO -0.22 0.12 0.09 -0.84 0.00 0.00 0.00 176.54 175.70 1rps h THR 84 N 0.10 1.24 -0.56 4.70 2.02 -0.93 -3.26 112.91 116.21 1rps h THR 84 Ca 0.00 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1rps h THR 84 Cb 0.90 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1rps h THR 84 CO 0.07 0.29 0.00 0.49 0.37 0.00 0.00 175.52 176.74 1rps n PHE 85 N -4.52 1.61 -0.00 3.16 3.72 -0.68 -4.64 117.46 116.10 1rps n PHE 85 Ca -0.00 -0.69 -0.11 0.00 -0.05 0.00 0.00 57.45 56.60 1rps n PHE 85 Cb 0.22 -0.35 -0.05 0.00 -0.94 0.00 0.00 39.48 38.36 1rps n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rps h ALA 86 N 3.68 0.12 -0.56 4.37 0.00 -1.48 -0.25 119.26 125.15 1rps h ALA 86 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1rps h ALA 86 Cb 1.63 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1rps h ALA 86 CO 0.32 -0.37 -0.05 1.79 0.00 0.00 0.00 179.25 180.93 1rps h THR 87 N 0.11 1.27 -0.29 0.00 1.35 -1.85 -1.24 112.91 112.26 1rps h THR 87 Ca 0.04 -1.20 -0.09 0.00 -0.55 0.00 0.00 66.41 64.61 1rps h THR 87 Cb 0.01 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 67.30 1rps h THR 87 CO -0.01 0.43 -0.18 -0.07 -0.25 0.00 0.00 175.52 175.44 1rps h LEU 88 N 0.92 0.52 0.09 3.87 4.07 -1.83 -0.12 115.31 122.85 1rps h LEU 88 Ca 0.15 -0.16 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1rps h LEU 88 Cb 0.61 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1rps h LEU 88 CO 0.04 0.72 -0.05 -1.28 -1.08 0.00 0.00 178.44 176.79 1rps h SER 89 N 0.48 -0.11 -0.68 -0.43 0.87 -0.76 -0.47 113.55 112.45 1rps h SER 89 Ca 0.08 -0.26 0.14 0.00 -1.23 0.00 0.00 61.79 60.52 1rps h SER 89 Cb 0.59 0.03 -0.10 0.00 -0.44 0.00 0.00 62.40 62.48 1rps h SER 89 CO 0.04 0.21 0.14 -0.33 -0.53 0.00 0.00 176.83 176.36 1rps h GLU 90 N -0.43 0.24 -0.34 2.24 5.08 -0.90 -0.12 114.58 120.35 1rps h GLU 90 Ca -0.01 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1rps h GLU 90 Cb 0.36 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1rps h GLU 90 CO 0.02 0.16 0.08 1.25 -1.00 0.00 0.00 179.01 179.52 1rps h LEU 91 N 0.25 0.52 -1.54 1.33 5.85 -0.89 0.18 115.31 121.01 1rps h LEU 91 Ca 0.37 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1rps h LEU 91 Cb 0.61 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1rps h LEU 91 CO -0.48 0.62 -0.06 0.45 -0.34 0.00 0.00 178.44 178.64 1rps h HIS 92 N 0.40 0.23 0.00 1.25 3.86 -0.25 -1.69 115.15 118.95 1rps h HIS 92 Ca 0.11 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1rps h HIS 92 Cb 0.31 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 1rps h HIS 92 CO 0.02 0.29 -0.36 0.00 0.86 0.00 0.00 177.93 178.74 1rps h ASP 94 N -1.00 0.00 0.00 0.00 3.32 -0.71 -2.85 116.42 115.18 1rps h ASP 94 Ca -0.02 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.63 1rps h ASP 94 Cb 0.40 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.88 1rps h ASP 94 CO -0.01 0.84 -2.47 0.29 -1.72 0.00 0.00 179.24 176.17 1rps n LYS 95 N -3.50 0.65 0.01 3.56 4.01 -0.77 -4.73 118.16 117.38 1rps n LYS 95 Ca -0.00 0.16 0.09 0.00 -0.51 0.00 0.00 58.31 58.05 1rps n LYS 95 Cb 0.81 -1.52 -0.13 0.00 -0.51 0.00 0.00 35.03 33.67 1rps n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1rps n LEU 96 N -3.34 0.19 -3.47 -0.35 4.77 -0.71 -5.02 117.00 109.09 1rps n LEU 96 Ca -0.46 0.08 -0.18 0.00 -0.03 0.00 0.00 56.01 55.42 1rps n LEU 96 Cb 0.98 0.03 0.08 0.00 -2.33 0.00 0.00 43.42 42.18 1rps n LEU 96 CO 0.25 0.00 0.08 1.41 -1.33 0.00 0.00 177.39 177.81 1rps n HIS 97 N -2.40 -2.15 -3.46 -1.77 8.25 -0.83 -4.98 115.22 107.88 1rps n HIS 97 Ca -0.05 0.93 -0.40 0.00 -0.26 0.00 0.00 57.72 57.94 1rps n HIS 97 Cb 0.62 -4.99 -0.10 0.00 1.12 0.00 0.00 29.99 26.64 1rps n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1rps s VAL 98 N -3.40 5.22 -0.03 1.59 1.01 -0.58 -5.03 120.40 119.18 1rps s VAL 98 Ca 0.00 0.18 -0.33 0.00 0.00 0.00 0.00 61.98 61.83 1rps s VAL 98 Cb -0.00 -3.70 -0.11 0.00 0.00 0.00 0.00 36.38 32.57 1rps s VAL 98 CO 0.74 0.07 1.88 -0.67 0.00 0.00 0.00 175.10 177.12 1rps n ASP 99 N 5.25 3.65 0.28 3.32 -0.08 -1.26 -4.76 116.55 122.95 1rps n ASP 99 Ca -0.11 0.96 0.16 0.00 -1.51 0.00 0.00 54.79 54.29 1rps n ASP 99 Cb 0.50 -1.43 0.90 0.00 2.34 0.00 0.00 41.12 43.44 1rps n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1rps h PRO 100 N 9.30 0.00 -0.44 -0.67 0.11 -1.97 -0.70 132.00 137.63 1rps h PRO 100 Ca -0.48 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.75 1rps h PRO 100 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1rps h PRO 100 CO 0.94 0.00 0.44 1.49 -0.21 0.00 0.00 178.00 180.66 1rps h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -1.99 0.35 114.58 118.56 1rps h GLU 101 Ca 0.02 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1rps h GLU 101 Cb 0.13 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1rps h GLU 101 CO -0.00 0.00 -0.18 -0.91 -1.18 0.00 0.00 179.01 176.74 1rps h ASN 102 N 0.00 0.00 0.21 1.04 4.21 -1.49 -2.64 115.58 116.91 1rps h ASN 102 Ca 0.21 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.68 1rps h ASN 102 Cb 1.08 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.28 1rps h ASN 102 CO -0.00 0.18 -0.20 -0.26 -1.29 0.00 0.00 177.43 175.85 1rps h PHE 103 N 0.00 0.00 -0.05 1.19 0.04 -0.48 -1.96 116.94 115.67 1rps h PHE 103 Ca -0.00 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.53 1rps h PHE 103 Cb 0.46 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.62 1rps h PHE 103 CO 0.00 0.20 -0.92 0.00 -0.60 0.00 0.00 178.31 176.99 1rps h ARG 104 N 0.00 0.67 -0.29 1.51 3.08 -1.57 -2.26 114.38 115.52 1rps h ARG 104 Ca -0.00 -0.65 0.01 0.00 0.07 0.00 0.00 59.98 59.42 1rps h ARG 104 Cb 0.36 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1rps h ARG 104 CO 0.03 1.25 0.16 -0.07 -1.07 0.00 0.00 179.97 180.26 1rps h LEU 105 N 0.41 0.26 -0.53 3.04 3.38 -1.41 -1.79 115.31 118.67 1rps h LEU 105 Ca -0.09 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1rps h LEU 105 Cb 1.56 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 1rps h LEU 105 CO 0.18 0.19 0.14 0.25 0.09 0.00 0.00 178.44 179.29 1rps h LEU 106 N 0.33 0.79 -0.35 1.67 5.85 -1.32 -1.28 115.31 121.00 1rps h LEU 106 Ca 0.11 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.69 1rps h LEU 106 Cb 0.01 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 40.76 1rps h LEU 106 CO -0.06 0.80 -0.18 1.23 -0.34 0.00 0.00 178.44 179.89 1rps h GLY 107 N 0.73 0.08 1.02 3.75 0.00 -1.21 0.46 103.07 107.89 1rps h GLY 107 Ca 0.17 0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.63 1rps h GLY 107 CO -0.00 -0.18 -0.04 3.43 0.00 0.00 0.00 176.54 179.75 1rps h ASN 108 N -0.12 0.88 -0.29 0.19 2.35 -0.98 -1.35 115.58 116.26 1rps h ASN 108 Ca 0.18 -0.33 0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1rps h ASN 108 Cb 0.39 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 1rps h ASN 108 CO -0.42 0.99 0.06 0.58 -1.65 0.00 0.00 177.43 176.99 1rps h VAL 109 N 0.74 0.87 -1.00 2.81 2.07 -0.85 -1.47 116.25 119.42 1rps h VAL 109 Ca 0.13 -0.06 0.14 0.00 0.82 0.00 0.00 66.70 67.73 1rps h VAL 109 Cb 0.57 0.69 -0.09 0.00 -1.52 0.00 0.00 31.29 30.93 1rps h VAL 109 CO 0.03 0.03 0.62 0.25 0.02 0.00 0.00 177.57 178.53 1rps h LEU 110 N 0.17 0.89 -0.73 2.57 5.85 0.48 -0.28 115.31 124.26 1rps h LEU 110 Ca 0.13 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 1rps h LEU 110 Cb 0.13 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1rps h LEU 110 CO -0.17 0.44 -0.12 0.58 -0.34 0.00 0.00 178.44 178.83 1rps h VAL 111 N 0.94 1.26 -0.32 1.05 2.07 -0.72 -1.78 116.25 118.76 1rps h VAL 111 Ca 0.51 -1.22 -0.11 0.00 0.82 0.00 0.00 66.70 66.71 1rps h VAL 111 Cb 0.58 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1rps h VAL 111 CO -0.29 0.42 -0.24 0.00 0.02 0.00 0.00 177.57 177.48 1rps h VAL 113 N 0.54 1.29 -0.95 0.00 2.07 -0.93 -0.91 116.25 117.37 1rps h VAL 113 Ca 0.08 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.39 1rps h VAL 113 Cb 0.70 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 1rps h VAL 113 CO 0.05 0.41 0.61 -0.07 0.02 0.00 0.00 177.57 178.59 1rps h LEU 114 N 0.46 0.99 -1.13 2.57 3.38 -1.24 -0.65 115.31 119.67 1rps h LEU 114 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1rps h LEU 114 Cb 0.69 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1rps h LEU 114 CO 0.05 0.65 -0.03 0.00 0.09 0.00 0.00 178.44 179.20 1rps h ALA 115 N 1.42 1.29 -0.44 1.53 0.00 -1.16 -1.28 119.26 120.60 1rps h ALA 115 Ca 0.40 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1rps h ALA 115 Cb 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1rps h ALA 115 CO -0.15 0.48 -0.29 1.25 0.00 0.00 0.00 179.25 180.54 1rps h HIS 116 N 0.54 1.14 -0.01 0.00 -0.00 0.23 -2.44 115.15 114.61 1rps h HIS 116 Ca 0.11 -0.30 -0.22 0.00 -0.00 0.00 0.00 60.37 59.96 1rps h HIS 116 Cb 0.39 -0.26 0.02 0.00 -0.00 0.00 0.00 27.41 27.56 1rps h HIS 116 CO 0.01 1.13 -0.84 0.45 -0.00 0.00 0.00 177.93 178.69 1rps h HIS 117 N 0.82 0.87 -0.01 5.26 -0.00 -0.94 -3.37 115.15 117.78 1rps h HIS 117 Ca 0.09 -0.46 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 1rps h HIS 117 Cb 0.87 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.18 1rps h HIS 117 CO 0.06 1.29 -0.57 1.19 -0.00 0.00 0.00 177.93 179.89 1rps n PHE 118 N -4.02 0.00 0.00 2.45 3.72 -0.50 -5.01 117.46 114.10 1rps n PHE 118 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1rps n PHE 118 Cb 0.78 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 1rps n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rps n GLY 119 N 1.43 2.01 0.27 1.37 0.00 -0.92 -1.61 105.19 107.73 1rps n GLY 119 Ca 0.08 0.47 0.12 0.00 0.00 0.00 0.00 46.02 46.70 1rps n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rps h LYS 120 N 0.00 0.00 0.00 1.61 1.57 -1.95 -1.58 116.57 116.22 1rps h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rps h LYS 120 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1rps h LYS 120 CO 0.00 0.09 0.00 -1.91 -0.57 0.00 0.00 179.45 177.06 1rps n GLU 121 N -3.79 0.27 -2.23 3.15 2.13 -0.64 -3.98 120.64 115.54 1rps n GLU 121 Ca -0.02 0.23 -0.41 0.00 0.66 0.00 0.00 57.16 57.62 1rps n GLU 121 Cb 0.19 -1.82 0.00 0.00 0.27 0.00 0.00 31.44 30.09 1rps n GLU 121 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1rps n PHE 122 N -2.28 2.75 -1.35 4.31 7.35 -0.59 -4.92 117.46 122.72 1rps n PHE 122 Ca 0.05 -2.78 -0.30 0.00 -0.76 0.00 0.00 57.45 53.66 1rps n PHE 122 Cb 0.42 -1.85 0.12 0.00 0.35 0.00 0.00 39.48 38.51 1rps n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1rps s THR 123 N -0.47 2.83 0.17 -2.13 -4.23 -1.26 -4.66 115.64 105.89 1rps s THR 123 Ca 0.45 0.27 -0.15 0.00 -1.18 0.00 0.00 61.69 61.08 1rps s THR 123 Cb 0.13 -2.86 0.08 0.00 1.34 0.00 0.00 72.50 71.19 1rps s THR 123 CO -0.03 -0.35 1.70 -0.65 -0.54 0.00 0.00 174.62 174.75 1rps h PRO 124 N -1.35 0.12 -0.96 3.99 0.11 -1.94 0.12 132.00 132.09 1rps h PRO 124 Ca -0.48 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.68 1rps h PRO 124 Cb 1.28 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.30 1rps h PRO 124 CO 0.56 0.08 0.62 -1.35 -0.21 0.00 0.00 178.00 177.71 1rps h PRO 125 N 0.13 1.09 -0.60 1.05 0.11 -2.00 -0.83 132.00 130.96 1rps h PRO 125 Ca 0.20 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.16 1rps h PRO 125 Cb 0.29 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1rps h PRO 125 CO -0.33 0.72 0.02 0.28 -0.21 0.00 0.00 178.00 178.48 1rps h VAL 126 N 1.13 1.26 -0.02 3.15 2.07 -1.33 -2.53 116.25 119.98 1rps h VAL 126 Ca 0.41 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1rps h VAL 126 Cb 0.16 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1rps h VAL 126 CO -0.15 0.41 0.01 -0.61 0.02 0.00 0.00 177.57 177.25 1rps h GLN 127 N 0.94 0.03 -0.61 1.57 4.15 -0.21 -2.15 115.11 118.84 1rps h GLN 127 Ca 0.17 -0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.72 1rps h GLN 127 Cb 0.54 -0.01 -0.11 0.00 0.21 0.00 0.00 27.48 28.11 1rps h GLN 127 CO 0.03 0.06 -0.06 0.00 -1.93 0.00 0.00 178.83 176.93 1rps h ALA 128 N 0.97 0.53 -0.80 3.38 0.00 -1.03 0.17 119.26 122.49 1rps h ALA 128 Ca 0.01 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1rps h ALA 128 Cb 0.03 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1rps h ALA 128 CO -0.00 -0.41 0.42 0.00 0.00 0.00 0.00 179.25 179.25 1rps h ALA 129 N 1.58 1.03 0.00 0.00 0.00 -1.32 -2.49 119.26 118.06 1rps h ALA 129 Ca 0.31 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1rps h ALA 129 Cb 0.50 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1rps h ALA 129 CO -0.56 0.56 -0.47 1.88 0.00 0.00 0.00 179.25 180.66 1rps h TYR 130 N 1.12 0.00 -0.80 0.00 0.05 -0.26 -2.78 116.97 114.30 1rps h TYR 130 Ca 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.05 1rps h TYR 130 Cb 0.07 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.77 1rps h TYR 130 CO 0.01 0.47 0.47 1.96 -1.05 0.00 0.00 178.16 180.01 1rps h GLN 131 N 0.00 1.08 -0.37 4.88 1.08 -0.33 -1.00 115.11 120.45 1rps h GLN 131 Ca -0.00 -0.10 -0.09 0.00 -1.45 0.00 0.00 58.65 57.01 1rps h GLN 131 Cb 0.86 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1rps h GLN 131 CO 0.06 0.77 -0.11 0.87 -0.95 0.00 0.00 178.83 179.47 1rps h LYS 132 N 1.10 0.74 0.21 1.46 1.57 -1.23 -1.99 116.57 118.43 1rps h LYS 132 Ca 0.29 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1rps h LYS 132 Cb -0.03 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1rps h LYS 132 CO -0.05 0.89 -0.25 0.28 -0.57 0.00 0.00 179.45 179.75 1rps h VAL 133 N 0.53 0.45 -0.73 0.50 2.07 -1.26 0.04 116.25 117.85 1rps h VAL 133 Ca 0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.70 1rps h VAL 133 Cb 0.63 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 1rps h VAL 133 CO 0.04 0.00 0.39 0.58 0.02 0.00 0.00 177.57 178.60 1rps h VAL 134 N -0.51 0.88 -0.47 2.57 2.07 -1.18 0.40 116.25 120.01 1rps h VAL 134 Ca 0.01 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1rps h VAL 134 Cb 0.49 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1rps h VAL 134 CO -0.08 0.12 0.08 0.00 0.02 0.00 0.00 177.57 177.71 1rps h ALA 135 N 1.42 0.63 -0.72 1.67 0.00 -1.18 -1.00 119.26 120.07 1rps h ALA 135 Ca 0.35 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1rps h ALA 135 Cb 0.34 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1rps h ALA 135 CO -0.25 0.35 0.33 0.78 0.00 0.00 0.00 179.25 180.46 1rps h GLY 136 N 0.65 1.13 1.04 0.00 0.00 0.95 -0.57 103.07 106.26 1rps h GLY 136 Ca 0.14 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1rps h GLY 136 CO 0.01 0.55 0.16 -2.08 0.00 0.00 0.00 176.54 175.17 1rps h VAL 137 N 1.02 1.26 -0.10 4.60 2.07 -0.14 -0.78 116.25 124.19 1rps h VAL 137 Ca 0.25 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1rps h VAL 137 Cb 0.14 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1rps h VAL 137 CO -0.03 0.35 0.02 0.00 0.02 0.00 0.00 177.57 177.93 1rps h ALA 138 N 1.06 0.13 -0.78 1.67 0.00 -0.77 0.31 119.26 120.88 1rps h ALA 138 Ca 0.20 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1rps h ALA 138 Cb 0.36 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1rps h ALA 138 CO 0.00 -0.24 0.51 -0.91 0.00 0.00 0.00 179.25 178.62 1rps h ASN 139 N -0.06 0.83 -0.27 0.00 -0.26 -1.06 -1.00 115.58 113.76 1rps h ASN 139 Ca 0.03 -0.01 -0.18 0.00 -0.56 0.00 0.00 56.30 55.58 1rps h ASN 139 Cb 0.26 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 1rps h ASN 139 CO 0.00 0.58 -0.53 0.00 -1.06 0.00 0.00 177.43 176.41 1rps h ALA 140 N 1.54 0.43 0.00 -0.83 0.00 -0.65 -2.27 119.26 117.49 1rps h ALA 140 Ca 0.31 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1rps h ALA 140 Cb 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1rps h ALA 140 CO -0.09 0.64 -0.07 -0.07 0.00 0.00 0.00 179.25 179.67 1rps h LEU 141 N 0.62 0.00 0.00 0.00 3.38 -0.43 -2.45 115.31 116.43 1rps h LEU 141 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rps h LEU 141 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1rps h LEU 141 CO 0.12 0.07 -0.34 0.00 0.09 0.00 0.00 178.44 178.38 1rps n ALA 142 N -2.40 2.88 -0.34 1.53 0.00 -0.43 -4.37 120.51 117.39 1rps n ALA 142 Ca -0.03 -0.21 0.03 0.00 0.00 0.00 0.00 53.44 53.24 1rps n ALA 142 Cb 0.15 -1.27 0.18 0.00 0.00 0.00 0.00 19.45 18.51 1rps n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1rps h HIS 143 N 0.00 1.06 -0.35 0.00 6.17 -0.91 -2.52 115.15 118.60 1rps h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1rps h HIS 143 Cb 0.61 -0.34 0.00 0.00 2.52 0.00 0.00 27.41 30.20 1rps h HIS 143 CO 0.00 0.49 0.00 1.63 0.71 0.00 0.00 177.93 180.76 1rps n LYS 144 N -4.61 2.43 -2.34 5.26 4.76 -1.26 -4.91 118.16 117.48 1rps n LYS 144 Ca 0.15 -1.52 -0.41 0.00 -2.87 0.00 0.00 58.31 53.66 1rps n LYS 144 Cb 0.24 -1.58 -0.03 0.00 -1.84 0.00 0.00 35.03 31.82 1rps n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1rps s TYR 145 N -1.68 3.39 0.00 2.13 1.51 -0.95 -4.81 117.35 116.94 1rps s TYR 145 Ca 0.27 1.45 0.00 0.00 -1.01 0.00 0.00 57.07 57.78 1rps s TYR 145 Cb 0.17 -3.45 0.00 0.00 -0.11 0.00 0.00 41.96 38.57 1rps s TYR 145 CO 0.14 -1.24 0.00 -2.39 -1.11 0.00 0.00 175.55 170.94