#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nmm n HIS 2 N 0.00 -2.55 -3.25 6.34 -0.00 -1.26 -5.04 115.22 109.47 3nmm n HIS 2 Ca 0.00 1.06 -0.38 0.00 0.46 0.00 0.00 57.72 58.86 3nmm n HIS 2 Cb 0.00 -3.30 -0.06 0.00 -0.12 0.00 0.00 29.99 26.51 3nmm n HIS 2 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3nmm s LEU 3 N -1.85 4.48 0.90 0.27 1.43 -1.26 -5.09 118.68 117.57 3nmm s LEU 3 Ca 0.13 1.28 -0.12 0.00 -1.03 0.00 0.00 54.13 54.38 3nmm s LEU 3 Cb -0.04 -3.07 0.13 0.00 0.03 0.00 0.00 46.19 43.24 3nmm s LEU 3 CO 0.54 0.21 1.09 0.42 0.23 0.00 0.00 176.35 178.85 3nmm s THR 4 N -1.23 2.59 0.22 5.49 -4.23 -1.26 -4.73 115.64 112.49 3nmm s THR 4 Ca 0.33 0.19 -0.10 0.00 -1.18 0.00 0.00 61.69 60.93 3nmm s THR 4 Cb -0.19 -2.71 0.20 0.00 1.34 0.00 0.00 72.50 71.15 3nmm s THR 4 CO 0.20 -0.25 1.67 -0.65 -0.54 0.00 0.00 174.62 175.05 3nmm h PRO 5 N -1.56 0.14 -0.31 3.99 0.11 -2.01 0.66 132.00 133.02 3nmm h PRO 5 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3nmm h PRO 5 Cb 1.29 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 3nmm h PRO 5 CO 0.56 0.09 0.20 0.93 -0.21 0.00 0.00 178.00 179.57 3nmm h GLU 6 N 0.14 0.40 -0.00 1.05 4.39 -2.00 -2.71 114.58 115.85 3nmm h GLU 6 Ca 0.33 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.95 3nmm h GLU 6 Cb 0.54 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3nmm h GLU 6 CO -0.52 0.26 -0.24 0.93 -1.16 0.00 0.00 179.01 178.28 3nmm h GLU 7 N 0.41 0.17 -0.95 2.33 5.08 -1.20 -0.63 114.58 119.79 3nmm h GLU 7 Ca 0.11 -0.18 0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3nmm h GLU 7 Cb -0.04 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 3nmm h GLU 7 CO -0.02 0.91 0.59 -0.22 -1.00 0.00 0.00 179.01 179.27 3nmm h LYS 8 N -0.50 0.98 -0.60 2.33 3.11 -1.44 -0.52 116.57 119.93 3nmm h LYS 8 Ca -0.03 -0.06 -0.05 0.00 -2.81 0.00 0.00 60.65 57.70 3nmm h LYS 8 Cb 0.99 -0.22 -0.03 0.00 -1.00 0.00 0.00 32.23 31.98 3nmm h LYS 8 CO 0.05 0.65 0.18 1.03 -2.81 0.00 0.00 179.45 178.55 3nmm h SER 9 N 1.01 0.88 -0.73 4.20 0.87 -1.40 -2.04 113.55 116.34 3nmm h SER 9 Ca 0.44 -0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.74 3nmm h SER 9 Cb 0.32 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3nmm h SER 9 CO -0.22 0.86 0.26 0.00 -0.53 0.00 0.00 176.83 177.19 3nmm h ALA 10 N 1.06 0.96 -0.01 6.23 0.00 -0.38 -0.88 119.26 126.23 3nmm h ALA 10 Ca 0.19 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3nmm h ALA 10 Cb 0.30 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3nmm h ALA 10 CO -0.01 0.61 0.00 0.28 0.00 0.00 0.00 179.25 180.14 3nmm h VAL 11 N 1.07 1.22 -0.63 0.00 2.07 -0.88 -2.33 116.25 116.77 3nmm h VAL 11 Ca 0.24 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3nmm h VAL 11 Cb 0.27 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3nmm h VAL 11 CO -0.01 0.17 0.40 0.74 0.02 0.00 0.00 177.57 178.89 3nmm h THR 12 N -0.25 1.17 -0.30 2.57 2.02 -1.19 -1.37 112.91 115.56 3nmm h THR 12 Ca 0.00 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 3nmm h THR 12 Cb 0.28 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3nmm h THR 12 CO 0.00 0.17 0.07 0.00 0.37 0.00 0.00 175.52 176.13 3nmm h ALA 13 N 1.22 0.40 -0.41 6.16 0.00 -1.12 -2.35 119.26 123.16 3nmm h ALA 13 Ca 0.23 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3nmm h ALA 13 Cb -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3nmm h ALA 13 CO -0.05 0.06 -0.19 1.25 0.00 0.00 0.00 179.25 180.32 3nmm h LEU 14 N 0.32 0.80 -1.27 0.00 5.85 -1.28 -3.02 115.31 116.71 3nmm h LEU 14 Ca 0.09 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 3nmm h LEU 14 Cb 0.30 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3nmm h LEU 14 CO 0.00 0.98 -0.24 -0.25 -0.34 0.00 0.00 178.44 178.59 3nmm h TRP 15 N 0.70 0.00 0.00 1.25 2.91 -0.95 -1.22 115.95 118.64 3nmm h TRP 15 Ca 0.10 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.12 3nmm h TRP 15 Cb 0.70 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.35 3nmm h TRP 15 CO 0.04 0.24 -0.01 0.78 -1.03 0.00 0.00 178.44 178.46 3nmm h GLY 16 N 1.73 0.00 -0.71 2.65 0.00 -1.29 -1.90 103.07 103.55 3nmm h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3nmm h GLY 16 CO 0.03 0.00 -0.32 0.28 0.00 0.00 0.00 176.54 176.54 3nmm n LYS 17 N -3.26 1.28 -3.15 4.80 5.02 -0.46 -4.94 118.16 117.45 3nmm n LYS 17 Ca -0.03 -0.97 -0.40 0.00 -2.02 0.00 0.00 58.31 54.90 3nmm n LYS 17 Cb 0.10 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 3nmm n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3nmm s VAL 18 N -2.39 5.03 -0.72 -0.18 1.01 -0.72 -4.99 120.40 117.45 3nmm s VAL 18 Ca 0.23 1.09 -0.27 0.00 0.00 0.00 0.00 61.98 63.03 3nmm s VAL 18 Cb 0.19 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.69 3nmm s VAL 18 CO 0.50 0.10 1.29 0.21 0.00 0.00 0.00 175.10 177.20 3nmm s ASN 19 N 1.30 6.16 0.21 3.32 3.84 -1.26 -4.89 114.94 123.62 3nmm s ASN 19 Ca 0.26 -0.36 -0.09 0.00 0.21 0.00 0.00 52.86 52.89 3nmm s ASN 19 Cb -0.16 -2.56 0.17 0.00 -0.55 0.00 0.00 41.25 38.16 3nmm s ASN 19 CO 0.10 -1.82 1.83 0.58 -2.79 0.00 0.00 177.10 175.00 3nmm h VAL 20 N 6.08 1.24 0.17 -5.21 2.07 -1.94 0.80 116.25 119.45 3nmm h VAL 20 Ca -0.28 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3nmm h VAL 20 Cb 1.05 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3nmm h VAL 20 CO 1.27 0.27 -0.17 0.44 0.02 0.00 0.00 177.57 179.39 3nmm h ASP 21 N 1.13 -0.46 -0.23 0.57 3.32 -1.90 -0.07 116.42 118.77 3nmm h ASP 21 Ca 0.28 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.31 3nmm h ASP 21 Cb 0.04 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3nmm h ASP 21 CO -0.05 -0.26 -0.12 -0.33 -1.72 0.00 0.00 179.24 176.77 3nmm h GLU 22 N -0.37 0.49 -0.36 3.56 4.39 -1.87 -2.27 114.58 118.14 3nmm h GLU 22 Ca 0.00 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.41 3nmm h GLU 22 Cb 0.36 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 3nmm h GLU 22 CO -0.05 0.77 -0.09 0.28 -1.16 0.00 0.00 179.01 178.76 3nmm h VAL 23 N 0.21 1.24 -0.42 3.13 2.07 -0.88 -1.88 116.25 119.70 3nmm h VAL 23 Ca 0.05 -1.03 -0.09 0.00 0.82 0.00 0.00 66.70 66.45 3nmm h VAL 23 Cb 0.62 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3nmm h VAL 23 CO 0.04 0.35 -0.10 1.23 0.02 0.00 0.00 177.57 179.11 3nmm h GLY 24 N 0.94 0.88 0.89 2.17 0.00 -0.87 -0.08 103.07 107.01 3nmm h GLY 24 Ca 0.11 -0.72 0.03 0.00 0.00 0.00 0.00 47.33 46.74 3nmm h GLY 24 CO 0.03 0.66 0.43 -1.33 0.00 0.00 0.00 176.54 176.32 3nmm h GLY 25 N 0.64 0.97 0.78 4.60 0.00 -1.29 -1.31 103.07 107.46 3nmm h GLY 25 Ca 0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 3nmm h GLY 25 CO 0.04 0.28 -0.01 -2.09 0.00 0.00 0.00 176.54 174.76 3nmm h GLU 26 N 0.84 0.28 -0.31 4.80 4.57 -1.14 -0.67 114.58 122.96 3nmm h GLU 26 Ca 0.27 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 3nmm h GLU 26 Cb -0.00 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 3nmm h GLU 26 CO -0.10 0.52 0.12 0.00 -1.18 0.00 0.00 179.01 178.37 3nmm h ALA 27 N 0.75 0.40 -0.65 2.92 0.00 -0.92 -0.34 119.26 121.42 3nmm h ALA 27 Ca 0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3nmm h ALA 27 Cb 0.40 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3nmm h ALA 27 CO 0.01 0.01 0.20 1.25 0.00 0.00 0.00 179.25 180.72 3nmm h LEU 28 N 0.35 0.96 -0.31 0.00 5.85 -1.22 -0.60 115.31 120.33 3nmm h LEU 28 Ca 0.10 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3nmm h LEU 28 Cb 0.20 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3nmm h LEU 28 CO -0.01 0.92 0.17 1.23 -0.34 0.00 0.00 178.44 180.41 3nmm h GLY 29 N 0.95 0.46 1.53 3.75 0.00 -1.02 -2.31 103.07 106.44 3nmm h GLY 29 Ca 0.21 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3nmm h GLY 29 CO -0.00 0.20 0.03 3.21 0.00 0.00 0.00 176.54 179.97 3nmm h ARG 30 N 0.38 0.59 -0.38 4.80 3.08 -0.86 -1.47 114.38 120.52 3nmm h ARG 30 Ca 0.11 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 60.07 3nmm h ARG 30 Cb 0.05 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 3nmm h ARG 30 CO -0.02 0.59 0.16 1.25 -1.07 0.00 0.00 179.97 180.88 3nmm h LEU 31 N 0.57 0.21 -1.45 3.04 5.85 -0.68 0.11 115.31 122.95 3nmm h LEU 31 Ca 0.12 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 3nmm h LEU 31 Cb 0.32 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3nmm h LEU 31 CO 0.01 0.16 -0.24 -0.07 -0.34 0.00 0.00 178.44 177.96 3nmm h LEU 32 N 0.34 0.00 0.07 2.25 3.38 -0.90 -0.72 115.31 119.73 3nmm h LEU 32 Ca 0.17 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 3nmm h LEU 32 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3nmm h LEU 32 CO -0.14 0.24 -0.64 0.58 0.09 0.00 0.00 178.44 178.57 3nmm h VAL 33 N 0.00 1.48 -0.03 1.22 2.07 -0.86 -3.31 116.25 116.82 3nmm h VAL 33 Ca -0.00 -2.40 -0.22 0.00 0.82 0.00 0.00 66.70 64.90 3nmm h VAL 33 Cb 0.58 3.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 3nmm h VAL 33 CO 0.03 0.63 -0.88 0.58 0.02 0.00 0.00 177.57 177.95 3nmm h VAL 34 N -0.68 1.38 -2.52 2.57 2.07 -0.75 -3.36 116.25 114.97 3nmm h VAL 34 Ca -0.13 -2.33 -0.60 0.00 0.82 0.00 0.00 66.70 64.46 3nmm h VAL 34 Cb 1.37 2.31 -0.41 0.00 -1.52 0.00 0.00 31.29 33.03 3nmm h VAL 34 CO 0.04 0.70 -0.69 -1.22 0.02 0.00 0.00 177.57 176.41 3nmm n TYR 35 N -3.79 2.49 0.35 1.57 4.01 -0.28 -4.99 117.16 116.52 3nmm n TYR 35 Ca -0.06 -4.04 0.09 0.00 -0.16 0.00 0.00 57.90 53.73 3nmm n TYR 35 Cb 0.80 -0.46 0.41 0.00 -0.31 0.00 0.00 39.34 39.78 3nmm n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3nmm n PRO 36 N 1.55 0.12 0.28 -0.72 -0.04 -1.25 -1.37 135.00 133.57 3nmm n PRO 36 Ca 0.25 0.42 0.14 0.00 -0.04 0.00 0.00 63.50 64.28 3nmm n PRO 36 Cb 0.41 -1.76 0.84 0.00 -0.04 0.00 0.00 33.50 32.95 3nmm n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 3nmm h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.91 -1.84 115.95 112.83 3nmm h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3nmm h TRP 37 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.48 3nmm h TRP 37 CO 0.00 0.06 0.01 1.79 0.09 0.00 0.00 178.44 180.40 3nmm h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.54 -1.99 112.91 110.84 3nmm h THR 38 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3nmm h THR 38 Cb 0.18 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 3nmm h THR 38 CO 0.01 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.28 3nmm n GLN 39 N -2.68 0.06 0.31 4.72 6.02 -0.69 -2.74 117.38 122.39 3nmm n GLN 39 Ca -0.02 0.41 0.20 0.00 -0.01 0.00 0.00 57.00 57.57 3nmm n GLN 39 Cb 0.07 -1.65 1.06 0.00 1.02 0.00 0.00 30.24 30.74 3nmm n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 3nmm h ARG 40 N 0.00 0.00 -0.01 -1.09 0.11 -1.59 -0.82 114.38 110.98 3nmm h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3nmm h ARG 40 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 3nmm h ARG 40 CO 0.00 0.00 -0.16 1.19 0.10 0.00 0.00 179.97 181.10 3nmm n PHE 41 N -3.29 0.00 -2.44 4.08 3.01 -1.11 -4.36 117.46 113.36 3nmm n PHE 41 Ca -0.02 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.31 3nmm n PHE 41 Cb 0.15 -0.05 0.03 0.00 -0.01 0.00 0.00 39.48 39.61 3nmm n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3nmm n PHE 42 N 0.00 2.03 0.13 1.38 3.01 -0.32 -4.86 117.46 118.83 3nmm n PHE 42 Ca 0.14 -2.23 0.09 0.00 1.01 0.00 0.00 57.45 56.46 3nmm n PHE 42 Cb 0.40 -0.28 0.58 0.00 -0.01 0.00 0.00 39.48 40.17 3nmm n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3nmm h GLU 43 N 2.42 0.17 -0.43 -1.08 4.39 -1.76 -2.18 114.58 116.11 3nmm h GLU 43 Ca 0.12 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3nmm h GLU 43 Cb 1.38 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 3nmm h GLU 43 CO 0.49 0.11 0.00 -1.13 -1.16 0.00 0.00 179.01 177.32 3nmm n SER 44 N -4.50 2.60 -0.20 1.42 3.41 -1.26 -4.39 113.62 110.70 3nmm n SER 44 Ca 0.01 -1.95 0.15 0.00 -0.26 0.00 0.00 58.87 56.82 3nmm n SER 44 Cb 0.18 -0.29 0.76 0.00 -0.26 0.00 0.00 64.21 64.60 3nmm n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3nmm n PHE 45 N 0.92 0.00 -2.79 7.33 0.99 -0.82 -5.02 117.46 118.07 3nmm n PHE 45 Ca 0.17 -0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.62 3nmm n PHE 45 Cb 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.91 3nmm n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3nmm n GLY 46 N 1.06 -0.06 3.62 1.37 0.00 -1.26 -4.66 105.19 105.26 3nmm n GLY 46 Ca 0.22 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 3nmm n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3nmm s ASP 47 N -4.00 6.20 -0.11 1.61 3.68 -1.26 -4.83 116.67 117.96 3nmm s ASP 47 Ca 0.00 1.70 0.14 0.00 2.13 0.00 0.00 52.55 56.52 3nmm s ASP 47 Cb 0.00 -2.53 0.31 0.00 -1.45 0.00 0.00 42.92 39.25 3nmm s ASP 47 CO 0.00 -1.40 1.15 0.18 0.13 0.00 0.00 175.17 175.23 3nmm n LEU 48 N 9.05 1.81 0.17 -1.34 4.77 -1.26 -4.11 117.00 126.08 3nmm n LEU 48 Ca 0.21 -2.79 0.04 0.00 -0.03 0.00 0.00 56.01 53.44 3nmm n LEU 48 Cb 0.45 -0.31 0.23 0.00 -2.33 0.00 0.00 43.42 41.46 3nmm n LEU 48 CO 0.66 0.82 0.60 0.77 -1.33 0.00 0.00 177.39 178.90 3nmm h SER 49 N 0.51 0.00 -5.17 -1.43 4.64 -1.91 -3.44 113.55 106.74 3nmm h SER 49 Ca -0.04 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.16 3nmm h SER 49 Cb 1.23 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.17 3nmm h SER 49 CO 0.02 0.44 -0.56 0.42 -0.87 0.00 0.00 176.83 176.27 3nmm s THR 50 N -3.39 0.18 0.22 2.95 -4.23 -1.26 -5.04 115.64 105.07 3nmm s THR 50 Ca 0.01 -1.45 -0.08 0.00 -1.18 0.00 0.00 61.69 58.99 3nmm s THR 50 Cb 0.10 -1.29 0.17 0.00 1.34 0.00 0.00 72.50 72.82 3nmm s THR 50 CO 0.71 -0.80 1.73 -0.65 -0.54 0.00 0.00 174.62 175.07 3nmm h PRO 51 N 3.21 0.36 -0.36 3.99 0.11 -1.98 -0.32 132.00 137.01 3nmm h PRO 51 Ca -0.34 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 3nmm h PRO 51 Cb 1.17 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3nmm h PRO 51 CO 0.59 0.24 -0.05 -0.44 -0.21 0.00 0.00 178.00 178.13 3nmm h ASP 52 N 0.37 0.55 -0.42 -2.05 3.32 -1.99 -0.32 116.42 115.89 3nmm h ASP 52 Ca 0.34 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 3nmm h ASP 52 Cb 0.47 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3nmm h ASP 52 CO -0.36 0.66 -0.09 0.00 -1.72 0.00 0.00 179.24 177.73 3nmm h ALA 53 N 1.41 0.57 -0.14 3.45 0.00 -1.61 -1.29 119.26 121.65 3nmm h ALA 53 Ca 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3nmm h ALA 53 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3nmm h ALA 53 CO 0.02 0.44 0.06 0.28 0.00 0.00 0.00 179.25 180.05 3nmm h VAL 54 N 0.61 1.13 -0.01 0.00 2.07 -0.71 -1.77 116.25 117.57 3nmm h VAL 54 Ca 0.11 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 3nmm h VAL 54 Cb 0.61 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3nmm h VAL 54 CO 0.04 0.12 -0.43 0.24 0.02 0.00 0.00 177.57 177.56 3nmm h MET 55 N 0.09 0.03 -0.01 1.57 2.07 -0.96 -2.62 114.93 115.10 3nmm h MET 55 Ca 0.05 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.66 3nmm h MET 55 Cb 0.13 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.86 3nmm h MET 55 CO -0.01 0.45 -0.25 0.41 1.07 0.00 0.00 176.91 178.58 3nmm n GLY 56 N -0.29 -0.71 3.65 8.32 0.00 -0.50 -4.85 105.19 110.82 3nmm n GLY 56 Ca -0.02 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 3nmm n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3nmm s ASN 57 N -2.54 6.47 0.45 1.61 3.84 -0.67 -4.90 114.94 119.20 3nmm s ASN 57 Ca 0.24 2.11 0.12 0.00 0.21 0.00 0.00 52.86 55.54 3nmm s ASN 57 Cb 0.19 -2.53 1.02 0.00 -0.55 0.00 0.00 41.25 39.39 3nmm s ASN 57 CO 0.53 -1.11 2.07 -0.65 -2.79 0.00 0.00 177.10 175.15 3nmm h PRO 58 N 10.41 0.23 -0.13 0.43 0.11 -1.90 -1.60 132.00 139.54 3nmm h PRO 58 Ca -0.39 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.50 3nmm h PRO 58 Cb 1.18 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3nmm h PRO 58 CO 0.96 0.20 -0.69 0.87 -0.21 0.00 0.00 178.00 179.13 3nmm h LYS 59 N 0.23 0.57 -0.28 1.05 1.57 -1.91 0.47 116.57 118.27 3nmm h LYS 59 Ca 0.06 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3nmm h LYS 59 Cb 0.07 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3nmm h LYS 59 CO -0.01 1.06 0.16 0.28 -0.57 0.00 0.00 179.45 180.37 3nmm h VAL 60 N 0.40 1.12 -0.48 0.50 2.07 -1.75 -0.96 116.25 117.14 3nmm h VAL 60 Ca -0.03 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3nmm h VAL 60 Cb 1.28 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3nmm h VAL 60 CO 0.13 0.12 0.25 0.11 0.02 0.00 0.00 177.57 178.20 3nmm h LYS 61 N 0.34 0.67 -0.73 1.57 1.57 -1.13 0.78 116.57 119.64 3nmm h LYS 61 Ca 0.10 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3nmm h LYS 61 Cb 0.05 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3nmm h LYS 61 CO -0.02 0.54 0.36 0.00 -0.57 0.00 0.00 179.45 179.77 3nmm h ALA 62 N 1.10 0.94 -0.19 3.86 0.00 -0.79 -1.55 119.26 122.63 3nmm h ALA 62 Ca 0.17 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 3nmm h ALA 62 Cb 0.07 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.58 3nmm h ALA 62 CO -0.03 0.50 -0.72 1.25 0.00 0.00 0.00 179.25 180.25 3nmm h HIS 63 N 1.02 1.09 -0.75 0.00 -0.00 -0.97 -2.68 115.15 112.85 3nmm h HIS 63 Ca 0.25 -0.46 0.08 0.00 -0.00 0.00 0.00 60.37 60.25 3nmm h HIS 63 Cb 0.10 -0.18 -0.07 0.00 -0.00 0.00 0.00 27.41 27.27 3nmm h HIS 63 CO 0.01 1.29 0.41 0.78 -0.00 0.00 0.00 177.93 180.42 3nmm h GLY 64 N 0.57 1.13 0.95 5.26 0.00 -0.61 0.17 103.07 110.55 3nmm h GLY 64 Ca -0.04 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.03 3nmm h GLY 64 CO 0.15 0.13 0.55 1.70 0.00 0.00 0.00 176.54 179.07 3nmm h LYS 65 N 0.72 1.08 -0.25 4.80 3.64 -1.09 -0.83 116.57 124.63 3nmm h LYS 65 Ca 0.35 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.60 3nmm h LYS 65 Cb 0.30 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3nmm h LYS 65 CO -0.23 0.71 -0.10 0.87 -2.27 0.00 0.00 179.45 178.43 3nmm h LYS 66 N 1.11 0.51 0.02 1.90 1.57 -0.93 -1.15 116.57 119.59 3nmm h LYS 66 Ca 0.32 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3nmm h LYS 66 Cb -0.08 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3nmm h LYS 66 CO -0.09 0.76 -0.01 0.28 -0.57 0.00 0.00 179.45 179.82 3nmm h VAL 67 N 0.24 1.14 0.00 0.50 2.07 -0.84 -1.99 116.25 117.37 3nmm h VAL 67 Ca 0.06 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 3nmm h VAL 67 Cb 0.59 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3nmm h VAL 67 CO 0.03 0.12 -0.22 0.25 0.02 0.00 0.00 177.57 177.78 3nmm h LEU 68 N -0.22 0.00 -0.55 2.57 5.85 -1.21 -1.55 115.31 120.20 3nmm h LEU 68 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3nmm h LEU 68 Cb 0.21 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3nmm h LEU 68 CO 0.00 0.22 0.33 1.23 -0.34 0.00 0.00 178.44 179.88 3nmm h GLY 69 N 2.28 0.80 1.41 3.75 0.00 -0.95 0.26 103.07 110.63 3nmm h GLY 69 Ca -0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 46.87 3nmm h GLY 69 CO 0.03 0.32 -0.32 0.00 0.00 0.00 0.00 176.54 176.58 3nmm h ALA 70 N 1.17 0.87 -0.11 3.60 0.00 -0.84 -1.08 119.26 122.86 3nmm h ALA 70 Ca 0.20 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3nmm h ALA 70 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3nmm h ALA 70 CO -0.04 0.63 0.07 0.35 0.00 0.00 0.00 179.25 180.26 3nmm h PHE 71 N 0.57 0.14 -0.17 0.00 3.57 -1.07 -2.41 116.94 117.57 3nmm h PHE 71 Ca 0.06 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.60 3nmm h PHE 71 Cb 0.82 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 3nmm h PHE 71 CO 0.04 0.12 -0.07 1.03 -2.23 0.00 0.00 178.31 177.20 3nmm h SER 72 N 0.13 -0.23 -0.92 0.41 0.87 -0.25 -1.56 113.55 112.01 3nmm h SER 72 Ca 0.04 0.06 0.15 0.00 -1.23 0.00 0.00 61.79 60.81 3nmm h SER 72 Cb 0.01 0.13 -0.09 0.00 -0.44 0.00 0.00 62.40 62.01 3nmm h SER 72 CO -0.01 -0.09 0.52 0.44 -0.53 0.00 0.00 176.83 177.17 3nmm h ASP 73 N -0.04 0.69 0.45 6.23 3.32 -1.11 -1.90 116.42 124.05 3nmm h ASP 73 Ca 0.09 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3nmm h ASP 73 Cb 0.17 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 3nmm h ASP 73 CO -0.20 0.30 -0.11 1.23 -1.72 0.00 0.00 179.24 178.74 3nmm h GLY 74 N 0.75 0.00 2.00 2.75 0.00 -0.77 -2.40 103.07 105.40 3nmm h GLY 74 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 3nmm h GLY 74 CO -0.34 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.24 3nmm n LEU 75 N -3.54 0.13 -0.12 3.11 4.77 -0.72 -0.93 117.00 119.70 3nmm n LEU 75 Ca -0.01 0.54 0.15 0.00 -0.03 0.00 0.00 56.01 56.65 3nmm n LEU 75 Cb 0.25 -0.52 0.72 0.00 -2.33 0.00 0.00 43.42 41.54 3nmm n LEU 75 CO 0.30 -0.36 0.96 0.00 -1.33 0.00 0.00 177.39 176.96 3nmm n ALA 76 N -1.55 2.68 -2.72 -1.18 0.00 -0.90 -4.23 120.51 112.60 3nmm n ALA 76 Ca 0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 53.44 53.15 3nmm n ALA 76 Cb 0.15 -1.39 0.04 0.00 0.00 0.00 0.00 19.45 18.25 3nmm n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3nmm n HIS 77 N -0.85 1.36 0.29 0.00 8.25 -0.11 -4.91 115.22 119.26 3nmm n HIS 77 Ca 0.18 -2.45 0.17 0.00 -0.26 0.00 0.00 57.72 55.37 3nmm n HIS 77 Cb 0.23 -0.29 0.88 0.00 1.12 0.00 0.00 29.99 31.93 3nmm n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3nmm h LEU 78 N 2.75 0.00 -0.06 2.41 3.38 -1.73 0.15 115.31 122.21 3nmm h LEU 78 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3nmm h LEU 78 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3nmm h LEU 78 CO 0.36 0.05 0.00 0.47 0.09 0.00 0.00 178.44 179.41 3nmm n ASP 79 N -3.32 0.79 -2.65 -0.43 10.43 -1.26 -4.29 116.55 115.83 3nmm n ASP 79 Ca -0.02 0.58 -0.10 0.00 2.57 0.00 0.00 54.79 57.83 3nmm n ASP 79 Cb 0.20 -0.79 0.03 0.00 1.84 0.00 0.00 41.12 42.40 3nmm n ASP 79 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3nmm n ASN 80 N -2.25 1.70 -0.12 -2.24 3.02 0.03 -4.93 115.26 110.47 3nmm n ASN 80 Ca 0.05 -2.77 -0.06 0.00 -0.03 0.00 0.00 54.58 51.77 3nmm n ASN 80 Cb 0.41 -0.52 0.11 0.00 -0.61 0.00 0.00 39.78 39.17 3nmm n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3nmm h LEU 81 N 2.96 0.83 0.10 3.41 3.38 -1.72 -1.35 115.31 122.91 3nmm h LEU 81 Ca -0.07 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3nmm h LEU 81 Cb 1.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3nmm h LEU 81 CO 0.52 0.93 -0.08 0.11 0.09 0.00 0.00 178.44 180.01 3nmm h LYS 82 N 0.77 -0.18 -0.62 1.13 1.57 -1.89 -1.38 116.57 115.97 3nmm h LYS 82 Ca 0.14 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 3nmm h LYS 82 Cb 0.56 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 3nmm h LYS 82 CO 0.03 -0.12 0.18 0.78 -0.57 0.00 0.00 179.45 179.76 3nmm h GLY 83 N -0.19 1.02 1.20 3.86 0.00 -1.92 -1.94 103.07 105.10 3nmm h GLY 83 Ca -0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 46.65 3nmm h GLY 83 CO -0.01 0.54 -0.08 -0.84 0.00 0.00 0.00 176.54 176.15 3nmm h THR 84 N 0.91 1.26 -0.70 4.70 2.02 -1.03 -3.14 112.91 116.94 3nmm h THR 84 Ca 0.20 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 66.18 3nmm h THR 84 Cb 0.28 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3nmm h THR 84 CO -0.01 0.42 0.00 0.49 0.37 0.00 0.00 175.52 176.80 3nmm n PHE 85 N -4.16 0.93 -0.19 3.16 3.01 -0.54 -4.66 117.46 115.02 3nmm n PHE 85 Ca 0.02 -0.46 -0.07 0.00 1.01 0.00 0.00 57.45 57.94 3nmm n PHE 85 Cb 0.38 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.87 3nmm n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3nmm h ALA 86 N 4.38 0.69 -0.32 4.37 0.00 -1.30 0.34 119.26 127.43 3nmm h ALA 86 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3nmm h ALA 86 Cb 0.99 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3nmm h ALA 86 CO 0.00 0.19 0.08 1.15 0.00 0.00 0.00 179.25 180.67 3nmm h THR 87 N 0.73 1.22 0.00 0.00 2.02 -1.82 -1.35 112.91 113.70 3nmm h THR 87 Ca 0.19 -0.73 -0.08 0.00 0.77 0.00 0.00 66.41 66.57 3nmm h THR 87 Cb 0.02 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3nmm h THR 87 CO -0.03 0.24 -0.36 -0.07 0.37 0.00 0.00 175.52 175.67 3nmm h LEU 88 N 0.35 0.00 0.19 2.58 3.38 -1.80 -1.96 115.31 118.05 3nmm h LEU 88 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3nmm h LEU 88 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3nmm h LEU 88 CO 0.00 0.36 -0.09 -1.28 0.09 0.00 0.00 178.44 177.53 3nmm h SER 89 N 0.00 -0.21 -0.96 -0.43 0.87 0.19 -1.28 113.55 111.73 3nmm h SER 89 Ca -0.00 -0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.47 3nmm h SER 89 Cb 0.69 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.66 3nmm h SER 89 CO 0.05 -0.02 0.63 -0.08 -0.53 0.00 0.00 176.83 176.88 3nmm h GLU 90 N -0.40 1.21 -0.29 2.24 4.81 -1.09 -1.57 114.58 119.49 3nmm h GLU 90 Ca -0.03 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3nmm h GLU 90 Cb 0.31 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3nmm h GLU 90 CO 0.04 0.80 0.16 1.25 -0.73 0.00 0.00 179.01 180.53 3nmm h LEU 91 N 1.25 0.36 -1.09 1.64 5.85 -1.15 0.45 115.31 122.61 3nmm h LEU 91 Ca 0.37 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 3nmm h LEU 91 Cb -0.05 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3nmm h LEU 91 CO -0.10 0.34 -0.34 0.45 -0.34 0.00 0.00 178.44 178.45 3nmm h HIS 92 N 0.35 0.23 0.11 1.25 3.86 -0.77 -1.18 115.15 119.00 3nmm h HIS 92 Ca 0.10 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3nmm h HIS 92 Cb 0.06 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.48 3nmm h HIS 92 CO -0.03 0.53 -0.05 0.00 0.86 0.00 0.00 177.93 179.23 3nmm h ASP 94 N -0.78 0.44 0.00 0.00 3.32 -0.94 -3.10 116.42 115.36 3nmm h ASP 94 Ca -0.01 -0.34 -0.37 0.00 0.02 0.00 0.00 57.03 56.32 3nmm h ASP 94 Cb 0.11 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.47 3nmm h ASP 94 CO 0.02 1.12 -2.34 0.29 -1.72 0.00 0.00 179.24 176.61 3nmm n LYS 95 N -3.74 0.55 0.07 3.56 5.02 -0.58 -4.72 118.16 118.31 3nmm n LYS 95 Ca -0.05 0.17 0.11 0.00 -2.02 0.00 0.00 58.31 56.52 3nmm n LYS 95 Cb 0.80 -1.43 -0.02 0.00 -0.02 0.00 0.00 35.03 34.36 3nmm n LYS 95 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3nmm n LEU 96 N -3.55 0.63 -3.68 -0.35 4.77 -0.55 -4.99 117.00 109.28 3nmm n LEU 96 Ca -0.44 0.20 -0.21 0.00 -0.03 0.00 0.00 56.01 55.53 3nmm n LEU 96 Cb 0.90 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.96 3nmm n LEU 96 CO 0.15 -0.10 -0.06 1.41 -1.33 0.00 0.00 177.39 177.45 3nmm n HIS 97 N -2.44 -1.93 -3.51 -1.77 8.25 -0.12 -4.96 115.22 108.74 3nmm n HIS 97 Ca -0.00 0.83 -0.39 0.00 -0.26 0.00 0.00 57.72 57.90 3nmm n HIS 97 Cb 0.53 -4.40 -0.10 0.00 1.12 0.00 0.00 29.99 27.14 3nmm n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3nmm s VAL 98 N -3.65 5.26 0.04 1.59 1.01 -0.42 -5.03 120.40 119.20 3nmm s VAL 98 Ca 0.02 0.13 -0.33 0.00 0.00 0.00 0.00 61.98 61.80 3nmm s VAL 98 Cb -0.01 -3.65 -0.12 0.00 0.00 0.00 0.00 36.38 32.61 3nmm s VAL 98 CO 0.81 0.12 1.82 -0.67 0.00 0.00 0.00 175.10 177.17 3nmm n ASP 99 N 5.17 3.64 0.14 3.32 4.64 -1.26 -4.74 116.55 127.46 3nmm n ASP 99 Ca -0.12 0.99 0.10 0.00 -1.38 0.00 0.00 54.79 54.38 3nmm n ASP 99 Cb 0.51 -1.45 0.52 0.00 -1.04 0.00 0.00 41.12 39.65 3nmm n ASP 99 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3nmm n PRO 100 N 5.76 0.13 -0.15 -0.67 -0.02 -1.26 -1.54 135.00 137.26 3nmm n PRO 100 Ca 0.20 0.59 0.23 0.00 -2.02 0.00 0.00 63.50 62.50 3nmm n PRO 100 Cb 0.33 -1.90 0.65 0.00 -0.02 0.00 0.00 33.50 32.56 3nmm n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3nmm h GLU 101 N 0.00 0.13 -0.31 -0.52 4.57 -1.98 -0.74 114.58 115.73 3nmm h GLU 101 Ca 0.00 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.21 3nmm h GLU 101 Cb 0.05 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3nmm h GLU 101 CO 0.00 0.08 0.21 -0.91 -1.18 0.00 0.00 179.01 177.21 3nmm h ASN 102 N 0.13 0.23 -0.18 1.04 2.35 -1.65 -1.39 115.58 116.11 3nmm h ASN 102 Ca 0.39 -0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 56.01 3nmm h ASN 102 Cb 1.34 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.65 3nmm h ASN 102 CO -0.06 0.16 -0.34 -0.26 -1.65 0.00 0.00 177.43 175.28 3nmm h PHE 103 N 0.27 0.80 -0.35 1.19 0.04 -1.33 -0.14 116.94 117.43 3nmm h PHE 103 Ca 0.13 -0.22 -0.06 0.00 2.80 0.00 0.00 57.97 60.62 3nmm h PHE 103 Cb 0.18 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3nmm h PHE 103 CO -0.00 0.93 -0.03 0.00 -0.60 0.00 0.00 178.31 178.62 3nmm h ARG 104 N 0.58 0.63 -0.56 1.51 3.08 -1.29 -1.27 114.38 117.06 3nmm h ARG 104 Ca 0.06 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 3nmm h ARG 104 Cb 0.85 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 3nmm h ARG 104 CO 0.07 0.77 0.27 -0.07 -1.07 0.00 0.00 179.97 179.94 3nmm h LEU 105 N 0.44 0.73 -0.78 3.04 3.38 -1.13 -1.72 115.31 119.28 3nmm h LEU 105 Ca 0.10 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3nmm h LEU 105 Cb 0.50 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3nmm h LEU 105 CO 0.02 0.65 0.15 0.25 0.09 0.00 0.00 178.44 179.61 3nmm h LEU 106 N 0.76 1.02 -0.88 1.67 5.85 -0.94 -1.49 115.31 121.29 3nmm h LEU 106 Ca 0.19 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.76 3nmm h LEU 106 Cb 0.11 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 3nmm h LEU 106 CO -0.02 0.98 0.55 1.23 -0.34 0.00 0.00 178.44 180.84 3nmm h GLY 107 N 1.06 1.34 1.87 3.75 0.00 -0.80 0.15 103.07 110.44 3nmm h GLY 107 Ca 0.21 -0.40 -0.19 0.00 0.00 0.00 0.00 47.33 46.95 3nmm h GLY 107 CO 0.00 0.27 -0.87 3.43 0.00 0.00 0.00 176.54 179.37 3nmm h ASN 108 N 0.99 0.15 -0.45 0.19 2.35 -0.74 -1.64 115.58 116.44 3nmm h ASN 108 Ca 0.39 -0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 55.88 3nmm h ASN 108 Cb 0.19 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3nmm h ASN 108 CO -0.18 0.94 -0.24 0.58 -1.65 0.00 0.00 177.43 176.88 3nmm h VAL 109 N 0.06 1.27 -0.62 2.81 2.07 -1.01 -1.69 116.25 119.15 3nmm h VAL 109 Ca -0.03 -1.41 0.04 0.00 0.82 0.00 0.00 66.70 66.12 3nmm h VAL 109 Cb 1.51 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 3nmm h VAL 109 CO 0.12 0.48 0.36 0.25 0.02 0.00 0.00 177.57 178.81 3nmm h LEU 110 N 0.80 0.56 -0.70 2.57 5.85 -0.80 -0.10 115.31 123.49 3nmm h LEU 110 Ca 0.10 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3nmm h LEU 110 Cb 0.83 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 3nmm h LEU 110 CO 0.07 0.38 0.46 0.58 -0.34 0.00 0.00 178.44 179.59 3nmm h VAL 111 N 0.69 1.18 -0.93 1.05 2.07 -1.09 -0.36 116.25 118.86 3nmm h VAL 111 Ca 0.26 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3nmm h VAL 111 Cb 0.10 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 29.97 3nmm h VAL 111 CO -0.14 0.17 0.59 0.00 0.02 0.00 0.00 177.57 178.22 3nmm h VAL 113 N 1.27 1.27 -0.47 0.00 2.07 -0.43 -0.44 116.25 119.53 3nmm h VAL 113 Ca 0.34 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 3nmm h VAL 113 Cb -0.10 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3nmm h VAL 113 CO -0.07 0.40 0.27 -0.07 0.02 0.00 0.00 177.57 178.13 3nmm h LEU 114 N 0.69 0.58 -0.47 2.57 3.38 -0.85 0.49 115.31 121.69 3nmm h LEU 114 Ca 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3nmm h LEU 114 Cb 0.60 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3nmm h LEU 114 CO 0.04 0.48 0.29 0.00 0.09 0.00 0.00 178.44 179.34 3nmm h ALA 115 N 1.12 0.60 -0.29 1.53 0.00 -0.98 -0.66 119.26 120.58 3nmm h ALA 115 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3nmm h ALA 115 Cb 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3nmm h ALA 115 CO -0.03 0.07 0.13 1.25 0.00 0.00 0.00 179.25 180.67 3nmm h HIS 116 N 0.63 0.42 -0.24 0.00 -0.00 -0.81 0.39 115.15 115.53 3nmm h HIS 116 Ca 0.17 -0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.40 3nmm h HIS 116 Cb -0.03 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 27.24 3nmm h HIS 116 CO -0.04 0.39 -0.28 1.25 -0.00 0.00 0.00 177.93 179.25 3nmm h HIS 117 N 0.32 0.74 0.00 5.26 6.17 -0.85 -3.34 115.15 123.46 3nmm h HIS 117 Ca 0.10 -0.23 0.00 0.00 0.71 0.00 0.00 60.37 60.94 3nmm h HIS 117 Cb 0.14 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 29.92 3nmm h HIS 117 CO -0.02 0.96 -1.24 1.19 0.71 0.00 0.00 177.93 179.54 3nmm n PHE 118 N -4.32 0.30 -1.27 5.26 3.01 -0.26 -5.03 117.46 115.15 3nmm n PHE 118 Ca -0.05 0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.50 3nmm n PHE 118 Cb 0.46 -0.50 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 3nmm n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3nmm n GLY 119 N 1.32 2.40 0.25 1.37 0.00 0.12 -3.09 105.19 107.57 3nmm n GLY 119 Ca 0.00 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.74 3nmm n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3nmm h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.96 -0.56 116.57 119.30 3nmm h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3nmm h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3nmm h LYS 120 CO 0.00 0.07 0.00 1.49 -2.27 0.00 0.00 179.45 178.74 3nmm h GLU 121 N 0.00 0.00 -3.41 1.90 4.81 -1.94 -3.24 114.58 112.70 3nmm h GLU 121 Ca -0.00 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.47 3nmm h GLU 121 Cb 0.13 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.36 3nmm h GLU 121 CO 0.01 0.00 2.07 0.34 -0.73 0.00 0.00 179.01 180.70 3nmm n PHE 122 N -2.89 2.88 -1.24 0.92 7.35 -0.22 -4.92 117.46 119.33 3nmm n PHE 122 Ca -0.02 -2.79 -0.29 0.00 -0.76 0.00 0.00 57.45 53.60 3nmm n PHE 122 Cb 0.12 -1.93 0.16 0.00 0.35 0.00 0.00 39.48 38.17 3nmm n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3nmm s THR 123 N 0.24 2.22 0.26 -2.13 -4.23 -1.23 -4.65 115.64 106.12 3nmm s THR 123 Ca 0.41 0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.97 3nmm s THR 123 Cb 0.11 -2.61 0.25 0.00 1.34 0.00 0.00 72.50 71.59 3nmm s THR 123 CO -0.00 -0.09 1.85 -0.65 -0.54 0.00 0.00 174.62 175.18 3nmm h PRO 124 N -1.74 0.98 -0.34 3.99 0.11 -1.93 0.57 132.00 133.65 3nmm h PRO 124 Ca -0.53 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.43 3nmm h PRO 124 Cb 1.32 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3nmm h PRO 124 CO 0.58 0.65 -0.18 -1.35 -0.21 0.00 0.00 178.00 177.49 3nmm h PRO 125 N 1.01 0.62 -0.38 1.05 0.11 -1.99 -0.84 132.00 131.59 3nmm h PRO 125 Ca 0.44 -0.22 -0.09 0.00 0.11 0.00 0.00 66.00 66.24 3nmm h PRO 125 Cb 0.30 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3nmm h PRO 125 CO -0.21 0.77 -0.10 0.28 -0.21 0.00 0.00 178.00 178.53 3nmm h VAL 126 N 0.56 1.28 -0.58 3.15 2.07 -1.73 -2.19 116.25 118.80 3nmm h VAL 126 Ca 0.09 -1.18 0.04 0.00 0.82 0.00 0.00 66.70 66.48 3nmm h VAL 126 Cb 0.62 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3nmm h VAL 126 CO 0.04 0.39 0.32 -0.61 0.02 0.00 0.00 177.57 177.74 3nmm h GLN 127 N 0.54 0.60 -1.01 1.57 4.15 -0.74 -1.42 115.11 118.80 3nmm h GLN 127 Ca 0.10 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.49 3nmm h GLN 127 Cb 0.61 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 28.12 3nmm h GLN 127 CO 0.04 0.40 0.67 0.00 -1.93 0.00 0.00 178.83 178.01 3nmm h ALA 128 N 1.29 1.28 -0.34 3.38 0.00 -0.84 0.17 119.26 124.22 3nmm h ALA 128 Ca 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3nmm h ALA 128 Cb 0.12 -0.41 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3nmm h ALA 128 CO -0.15 0.67 0.13 0.00 0.00 0.00 0.00 179.25 179.89 3nmm h ALA 129 N 1.37 0.44 -0.13 0.00 0.00 -0.89 -2.27 119.26 117.78 3nmm h ALA 129 Ca 0.37 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3nmm h ALA 129 Cb -0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3nmm h ALA 129 CO -0.08 0.05 -0.18 1.88 0.00 0.00 0.00 179.25 180.92 3nmm h TYR 130 N 0.40 0.24 -0.68 0.00 0.05 -0.52 -2.15 116.97 114.30 3nmm h TYR 130 Ca 0.11 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.80 3nmm h TYR 130 Cb 0.20 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 3nmm h TYR 130 CO -0.00 0.40 0.18 1.96 -1.05 0.00 0.00 178.16 179.65 3nmm h GLN 131 N 0.21 1.08 -0.67 4.88 1.08 -0.37 0.29 115.11 121.61 3nmm h GLN 131 Ca 0.04 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 56.98 3nmm h GLN 131 Cb 0.45 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 3nmm h GLN 131 CO 0.03 0.95 0.38 0.87 -0.95 0.00 0.00 178.83 180.11 3nmm h LYS 132 N 1.01 0.93 0.10 1.46 1.57 -1.06 -1.50 116.57 119.08 3nmm h LYS 132 Ca 0.22 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3nmm h LYS 132 Cb 0.35 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3nmm h LYS 132 CO -0.00 0.68 -0.05 0.28 -0.57 0.00 0.00 179.45 179.80 3nmm h VAL 133 N 0.92 1.04 -0.16 0.50 2.07 -0.96 0.31 116.25 119.98 3nmm h VAL 133 Ca 0.24 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 3nmm h VAL 133 Cb 0.02 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3nmm h VAL 133 CO -0.04 0.13 -0.15 -0.37 0.02 0.00 0.00 177.57 177.16 3nmm h VAL 134 N -0.37 1.19 -0.48 2.57 -1.51 -0.88 0.49 116.25 117.26 3nmm h VAL 134 Ca -0.01 -0.86 -0.11 0.00 -1.23 0.00 0.00 66.70 64.49 3nmm h VAL 134 Cb 0.31 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.70 3nmm h VAL 134 CO 0.02 0.27 -0.12 0.00 -1.23 0.00 0.00 177.57 176.51 3nmm h ALA 135 N 1.61 0.67 -0.58 5.19 0.00 -1.12 -0.75 119.26 124.27 3nmm h ALA 135 Ca 0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3nmm h ALA 135 Cb 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3nmm h ALA 135 CO 0.03 0.58 0.19 0.78 0.00 0.00 0.00 179.25 180.82 3nmm h GLY 136 N 0.79 0.97 0.99 0.00 0.00 -0.12 -0.59 103.07 105.12 3nmm h GLY 136 Ca 0.12 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.77 3nmm h GLY 136 CO 0.05 0.54 -0.18 -2.08 0.00 0.00 0.00 176.54 174.87 3nmm h VAL 137 N 0.82 1.28 -0.61 4.60 2.07 -0.86 -0.61 116.25 122.95 3nmm h VAL 137 Ca 0.19 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 3nmm h VAL 137 Cb 0.28 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3nmm h VAL 137 CO -0.01 0.43 0.35 0.00 0.02 0.00 0.00 177.57 178.37 3nmm h ALA 138 N 0.80 0.78 -0.37 1.67 0.00 -0.98 0.05 119.26 121.22 3nmm h ALA 138 Ca 0.08 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3nmm h ALA 138 Cb 0.73 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3nmm h ALA 138 CO 0.05 0.28 -0.21 -0.91 0.00 0.00 0.00 179.25 178.47 3nmm h ASN 139 N 0.83 0.72 -0.61 0.00 -0.26 -1.00 -0.72 115.58 114.55 3nmm h ASN 139 Ca 0.22 -0.25 -0.07 0.00 -0.56 0.00 0.00 56.30 55.64 3nmm h ASN 139 Cb 0.01 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.05 3nmm h ASN 139 CO -0.04 0.92 0.11 0.00 -1.06 0.00 0.00 177.43 177.36 3nmm h ALA 140 N 1.14 0.80 0.00 -0.83 0.00 -0.78 -2.20 119.26 117.40 3nmm h ALA 140 Ca 0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3nmm h ALA 140 Cb 0.69 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3nmm h ALA 140 CO 0.05 0.54 -0.24 -0.07 0.00 0.00 0.00 179.25 179.53 3nmm h LEU 141 N 0.90 0.00 0.00 0.00 3.38 -0.71 -2.79 115.31 116.10 3nmm h LEU 141 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3nmm h LEU 141 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3nmm h LEU 141 CO 0.01 0.24 -0.05 0.00 0.09 0.00 0.00 178.44 178.73 3nmm n ALA 142 N -2.25 2.33 0.08 1.53 0.00 -0.30 -4.42 120.51 117.48 3nmm n ALA 142 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 3nmm n ALA 142 Cb 0.42 -1.45 0.25 0.00 0.00 0.00 0.00 19.45 18.67 3nmm n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3nmm h HIS 143 N 0.00 0.34 -0.47 0.00 6.17 -1.11 -2.35 115.15 117.72 3nmm h HIS 143 Ca 0.00 -0.08 0.00 0.00 0.71 0.00 0.00 60.37 61.00 3nmm h HIS 143 Cb 0.75 -0.08 0.00 0.00 2.52 0.00 0.00 27.41 30.60 3nmm h HIS 143 CO 0.00 0.59 0.00 1.63 0.71 0.00 0.00 177.93 180.86 3nmm n LYS 144 N -4.09 2.19 -2.29 5.26 4.76 -1.26 -4.93 118.16 117.79 3nmm n LYS 144 Ca -0.01 -1.74 -0.35 0.00 -2.87 0.00 0.00 58.31 53.34 3nmm n LYS 144 Cb 0.42 -1.41 -0.00 0.00 -1.84 0.00 0.00 35.03 32.20 3nmm n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3nmm s TYR 145 N -1.41 2.72 0.00 2.13 2.02 -0.89 -4.73 117.35 117.20 3nmm s TYR 145 Ca 0.32 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.57 3nmm s TYR 145 Cb 0.17 -3.28 0.00 0.00 -0.40 0.00 0.00 41.96 38.46 3nmm s TYR 145 CO 0.21 -1.49 0.00 -2.39 -1.57 0.00 0.00 175.55 170.31