#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mm1 n LEU 2 N 0.00 3.00 -4.90 0.99 4.32 -1.26 -4.99 117.00 114.16 2mm1 n LEU 2 Ca 0.00 0.51 -0.29 0.00 -0.02 0.00 0.00 56.01 56.20 2mm1 n LEU 2 Cb 0.00 -1.42 -0.03 0.00 -1.62 0.00 0.00 43.42 40.35 2mm1 n LEU 2 CO 0.00 -2.28 0.24 -0.94 -1.22 0.00 0.00 177.39 173.19 2mm1 s SER 3 N -2.14 6.48 0.33 -1.43 1.04 -1.26 -4.88 113.70 111.83 2mm1 s SER 3 Ca 0.68 0.80 0.08 0.00 0.48 0.00 0.00 55.95 58.00 2mm1 s SER 3 Cb -0.27 -2.18 0.80 0.00 0.10 0.00 0.00 66.02 64.47 2mm1 s SER 3 CO 0.56 -0.21 1.80 -0.78 0.98 0.00 0.00 173.24 175.59 2mm1 h ASP 4 N 1.74 0.72 -0.26 7.02 1.82 -1.99 0.58 116.42 126.04 2mm1 h ASP 4 Ca -0.47 0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.21 2mm1 h ASP 4 Cb 1.19 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 41.14 2mm1 h ASP 4 CO 0.66 0.27 0.03 1.23 -1.61 0.00 0.00 179.24 179.82 2mm1 h GLY 5 N 0.70 0.48 1.17 -0.78 0.00 -2.00 -2.72 103.07 99.92 2mm1 h GLY 5 Ca 0.55 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.53 2mm1 h GLY 5 CO -0.33 0.30 0.35 0.83 0.00 0.00 0.00 176.54 177.69 2mm1 h GLU 6 N 0.25 1.07 -0.21 4.80 5.08 -0.37 -1.80 114.58 123.40 2mm1 h GLU 6 Ca 0.08 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 2mm1 h GLU 6 Cb 0.36 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2mm1 h GLU 6 CO 0.01 0.83 -0.25 -1.49 -1.00 0.00 0.00 179.01 177.11 2mm1 h TRP 7 N 1.06 0.44 -0.17 4.33 4.06 -0.61 -2.48 115.95 122.57 2mm1 h TRP 7 Ca 0.26 -0.09 -0.03 0.00 2.06 0.00 0.00 58.89 61.09 2mm1 h TRP 7 Cb 0.12 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.16 2mm1 h TRP 7 CO 0.01 0.61 -0.02 0.37 -3.56 0.00 0.00 178.44 175.85 2mm1 h GLN 8 N 0.35 0.32 0.05 0.49 4.15 -1.14 1.62 115.11 120.95 2mm1 h GLN 8 Ca 0.05 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 59.38 2mm1 h GLN 8 Cb 0.63 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.24 2mm1 h GLN 8 CO 0.04 0.57 -0.45 1.25 -1.93 0.00 0.00 178.83 178.32 2mm1 h LEU 9 N 0.04 -1.34 0.20 -2.39 5.85 -1.12 0.35 115.31 116.91 2mm1 h LEU 9 Ca 0.05 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2mm1 h LEU 9 Cb 0.44 0.51 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 2mm1 h LEU 9 CO 0.01 -0.49 -0.43 0.58 -0.34 0.00 0.00 178.44 177.77 2mm1 h VAL 10 N -0.63 0.00 -0.74 1.05 2.07 -1.31 0.66 116.25 117.35 2mm1 h VAL 10 Ca 0.03 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.65 2mm1 h VAL 10 Cb 0.68 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 2mm1 h VAL 10 CO -0.30 0.00 0.49 -0.07 0.02 0.00 0.00 177.57 177.71 2mm1 h LEU 11 N -0.69 0.55 0.51 2.57 3.38 0.25 -0.76 115.31 121.12 2mm1 h LEU 11 Ca -0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2mm1 h LEU 11 Cb 0.66 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2mm1 h LEU 11 CO -0.18 0.32 -0.24 -1.13 0.09 0.00 0.00 178.44 177.30 2mm1 h ASN 12 N 0.60 -0.58 -0.04 -0.43 -0.00 0.71 -2.13 115.58 113.72 2mm1 h ASN 12 Ca 0.34 -0.06 0.01 0.00 -0.00 0.00 0.00 56.30 56.60 2mm1 h ASN 12 Cb 0.53 0.15 -0.00 0.00 -0.00 0.00 0.00 38.32 39.00 2mm1 h ASN 12 CO -0.12 -0.26 0.37 1.62 -0.00 0.00 0.00 177.43 179.03 2mm1 h VAL 13 N -0.91 0.03 0.00 2.57 3.04 0.15 -0.71 116.25 120.42 2mm1 h VAL 13 Ca -0.07 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 2mm1 h VAL 13 Cb 0.60 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 2mm1 h VAL 13 CO 0.11 0.00 -0.97 1.87 -1.01 0.00 0.00 177.57 177.57 2mm1 n TRP 14 N -2.95 0.66 0.01 3.17 -0.00 -0.40 -3.78 117.44 114.14 2mm1 n TRP 14 Ca -0.01 0.19 -0.11 0.00 -0.00 0.00 0.00 57.50 57.57 2mm1 n TRP 14 Cb 0.42 -0.74 -0.06 0.00 -0.00 0.00 0.00 31.31 30.93 2mm1 n TRP 14 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 2mm1 h GLY 15 N 4.25 0.11 0.48 5.87 0.00 -0.72 -1.89 103.07 111.16 2mm1 h GLY 15 Ca 0.00 -0.04 0.10 0.00 0.00 0.00 0.00 47.33 47.38 2mm1 h GLY 15 CO 0.00 0.04 0.43 0.50 0.00 0.00 0.00 176.54 177.51 2mm1 h LYS 16 N 0.08 0.70 -0.30 4.80 1.57 -1.72 0.14 116.57 121.83 2mm1 h LYS 16 Ca 0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2mm1 h LYS 16 Cb 0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2mm1 h LYS 16 CO -0.01 0.46 0.13 0.28 -0.57 0.00 0.00 179.45 179.75 2mm1 h VAL 17 N 0.72 1.11 0.00 0.50 2.07 -1.56 0.16 116.25 119.25 2mm1 h VAL 17 Ca 0.39 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2mm1 h VAL 17 Cb 0.39 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2mm1 h VAL 17 CO -0.26 0.13 0.00 -0.62 0.02 0.00 0.00 177.57 176.84 2mm1 n GLU 18 N -4.43 0.59 0.12 1.57 1.02 0.01 -2.25 120.64 117.27 2mm1 n GLU 18 Ca 0.01 0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.17 2mm1 n GLU 18 Cb 0.12 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 30.28 2mm1 n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2mm1 h ALA 19 N 3.44 1.13 -0.32 0.62 0.00 -0.40 -3.38 119.26 120.35 2mm1 h ALA 19 Ca 0.00 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 2mm1 h ALA 19 Cb 0.13 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 17.69 2mm1 h ALA 19 CO 0.00 0.59 -0.48 -3.47 0.00 0.00 0.00 179.25 175.89 2mm1 n ASP 20 N -4.00 -3.06 0.07 0.00 -0.08 -1.09 -5.04 116.55 103.33 2mm1 n ASP 20 Ca -0.02 -3.16 -0.12 0.00 -1.51 0.00 0.00 54.79 49.99 2mm1 n ASP 20 Cb 0.49 1.80 -0.02 0.00 2.34 0.00 0.00 41.12 45.72 2mm1 n ASP 20 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 2mm1 h ILE 21 N 3.62 1.42 0.47 5.18 3.07 -1.64 -2.36 117.51 127.26 2mm1 h ILE 21 Ca -0.08 -2.41 -0.02 0.00 1.55 0.00 0.00 64.86 63.90 2mm1 h ILE 21 Cb 1.06 2.35 0.00 0.00 -0.27 0.00 0.00 36.82 39.97 2mm1 h ILE 21 CO 0.22 0.72 -0.23 -0.65 -1.05 0.00 0.00 178.15 177.15 2mm1 h PRO 22 N 0.21 -0.62 -0.47 0.16 0.11 -1.88 0.18 132.00 129.68 2mm1 h PRO 22 Ca -0.06 0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.14 2mm1 h PRO 22 Cb 1.50 0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.70 2mm1 h PRO 22 CO 0.15 -0.41 0.22 0.78 -0.21 0.00 0.00 178.00 178.52 2mm1 h GLY 23 N -0.65 0.65 0.49 -0.55 0.00 -1.90 0.92 103.07 102.03 2mm1 h GLY 23 Ca -0.06 -0.14 0.07 0.00 0.00 0.00 0.00 47.33 47.19 2mm1 h GLY 23 CO 0.10 0.08 0.14 0.45 0.00 0.00 0.00 176.54 177.31 2mm1 h HIS 24 N 0.43 0.23 -0.31 5.60 3.86 -1.24 -2.18 115.15 121.54 2mm1 h HIS 24 Ca 0.21 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.32 2mm1 h HIS 24 Cb 0.15 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 2mm1 h HIS 24 CO -0.12 0.06 -0.33 0.78 0.86 0.00 0.00 177.93 179.18 2mm1 h GLY 25 N 0.29 0.75 1.37 2.45 0.00 0.34 -2.58 103.07 105.70 2mm1 h GLY 25 Ca 0.23 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 2mm1 h GLY 25 CO -0.26 0.64 -0.00 -1.61 0.00 0.00 0.00 176.54 175.31 2mm1 h GLN 26 N 0.58 0.77 -0.03 4.80 4.15 0.14 -2.63 115.11 122.89 2mm1 h GLN 26 Ca 0.06 -0.20 -0.15 0.00 0.77 0.00 0.00 58.65 59.13 2mm1 h GLN 26 Cb 0.85 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 28.46 2mm1 h GLN 26 CO 0.07 0.78 -0.57 0.93 -1.93 0.00 0.00 178.83 178.11 2mm1 h GLU 27 N 0.72 0.45 -0.64 1.69 5.08 -1.33 -2.23 114.58 118.32 2mm1 h GLU 27 Ca 0.14 -0.44 0.05 0.00 -1.00 0.00 0.00 59.36 58.11 2mm1 h GLU 27 Cb 0.44 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 2mm1 h GLU 27 CO 0.02 1.08 0.36 -0.24 -1.00 0.00 0.00 179.01 179.24 2mm1 h VAL 28 N -0.03 1.00 -0.47 3.13 3.04 -1.47 0.30 116.25 121.74 2mm1 h VAL 28 Ca -0.06 -0.23 -0.03 0.00 -1.01 0.00 0.00 66.70 65.36 2mm1 h VAL 28 Cb 1.26 0.25 -0.02 0.00 -2.01 0.00 0.00 31.29 30.77 2mm1 h VAL 28 CO 0.11 0.12 0.18 -0.07 -1.01 0.00 0.00 177.57 176.91 2mm1 h LEU 29 N 0.68 0.65 -0.13 3.16 3.38 -1.50 -1.90 115.31 119.66 2mm1 h LEU 29 Ca 0.28 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2mm1 h LEU 29 Cb 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2mm1 h LEU 29 CO -0.16 0.65 -0.01 0.40 0.09 0.00 0.00 178.44 179.41 2mm1 h ILE 30 N 0.62 0.90 -0.35 1.22 2.04 -0.62 -1.11 117.51 120.20 2mm1 h ILE 30 Ca 0.16 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 66.08 2mm1 h ILE 30 Cb 0.20 0.86 -0.09 0.00 -0.74 0.00 0.00 36.82 37.06 2mm1 h ILE 30 CO -0.01 0.01 -0.35 -0.09 0.00 0.00 0.00 178.15 177.70 2mm1 h ARG 31 N 0.03 -0.29 0.23 2.37 9.65 -0.15 -0.04 114.38 126.19 2mm1 h ARG 31 Ca 0.06 0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 2mm1 h ARG 31 Cb 0.08 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.71 2mm1 h ARG 31 CO -0.11 -0.19 -0.31 1.25 2.80 0.00 0.00 179.97 183.41 2mm1 h LEU 32 N -0.30 -0.87 -0.75 3.80 5.85 -0.99 1.60 115.31 123.66 2mm1 h LEU 32 Ca 0.15 0.08 0.07 0.00 0.84 0.00 0.00 57.88 59.02 2mm1 h LEU 32 Cb 0.56 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 2mm1 h LEU 32 CO -0.52 -0.38 0.43 -0.26 -0.34 0.00 0.00 178.44 177.37 2mm1 h PHE 33 N -0.56 0.78 0.05 1.25 0.04 -1.08 1.45 116.94 118.88 2mm1 h PHE 33 Ca -0.03 0.03 -0.26 0.00 2.80 0.00 0.00 57.97 60.51 2mm1 h PHE 33 Cb 0.50 -0.24 0.01 0.00 2.20 0.00 0.00 35.95 38.42 2mm1 h PHE 33 CO -0.24 0.36 -1.09 0.87 -0.60 0.00 0.00 178.31 177.61 2mm1 h LYS 34 N 0.77 0.51 0.41 1.51 1.79 -0.95 -2.66 116.57 117.94 2mm1 h LYS 34 Ca 0.34 -0.62 -0.02 0.00 -2.18 0.00 0.00 60.65 58.17 2mm1 h LYS 34 Cb 0.24 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2mm1 h LYS 34 CO -0.20 1.24 -0.20 0.78 -1.08 0.00 0.00 179.45 179.99 2mm1 h GLY 35 N 0.86 -0.58 -7.08 3.86 0.00 0.30 -3.39 103.07 97.05 2mm1 h GLY 35 Ca -0.13 0.21 -0.62 0.00 0.00 0.00 0.00 47.33 46.80 2mm1 h GLY 35 CO 0.20 -0.21 -0.69 0.30 0.00 0.00 0.00 176.54 176.14 2mm1 s HIS 36 N -5.38 2.59 0.47 5.60 3.76 0.49 -4.99 115.29 117.84 2mm1 s HIS 36 Ca -0.15 -2.83 0.23 0.00 -0.15 0.00 0.00 55.06 52.16 2mm1 s HIS 36 Cb 0.03 -2.26 1.25 0.00 1.11 0.00 0.00 32.58 32.71 2mm1 s HIS 36 CO 0.58 -0.73 1.89 -1.35 -0.85 0.00 0.00 174.74 174.29 2mm1 h PRO 37 N 6.32 0.21 -0.04 8.40 0.11 -1.65 0.33 132.00 145.68 2mm1 h PRO 37 Ca 0.02 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.13 2mm1 h PRO 37 Cb 0.88 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 2mm1 h PRO 37 CO 0.58 0.14 0.08 1.05 -0.21 0.00 0.00 178.00 179.65 2mm1 h GLU 38 N 0.22 0.00 0.03 1.05 9.09 -1.92 -2.47 114.58 120.57 2mm1 h GLU 38 Ca 0.41 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.82 2mm1 h GLU 38 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 2mm1 h GLU 38 CO -0.09 0.00 -0.01 1.79 0.05 0.00 0.00 179.01 180.75 2mm1 h THR 39 N 0.00 1.33 -1.01 -1.06 1.35 -0.65 -3.16 112.91 109.71 2mm1 h THR 39 Ca 0.02 -1.14 0.26 0.00 -0.55 0.00 0.00 66.41 65.01 2mm1 h THR 39 Cb 0.19 2.08 -0.07 0.00 -1.73 0.00 0.00 68.15 68.62 2mm1 h THR 39 CO -0.00 0.29 0.68 0.25 -0.25 0.00 0.00 175.52 176.48 2mm1 h LEU 40 N -0.53 0.30 -1.46 3.87 5.85 -1.56 -0.50 115.31 121.28 2mm1 h LEU 40 Ca -0.00 0.05 0.17 0.00 0.84 0.00 0.00 57.88 58.94 2mm1 h LEU 40 Cb 0.50 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 2mm1 h LEU 40 CO 0.01 0.08 0.57 -0.33 -0.34 0.00 0.00 178.44 178.42 2mm1 h GLU 41 N 0.27 0.47 -0.48 1.25 4.39 -1.52 -0.74 114.58 118.22 2mm1 h GLU 41 Ca 0.53 -0.03 0.14 0.00 0.34 0.00 0.00 59.36 60.34 2mm1 h GLU 41 Cb 1.57 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 30.10 2mm1 h GLU 41 CO -0.18 0.31 0.37 0.87 -1.16 0.00 0.00 179.01 179.23 2mm1 h LYS 42 N 0.48 0.00 -5.28 2.33 1.79 -1.25 -3.39 116.57 111.25 2mm1 h LYS 42 Ca 0.44 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 58.30 2mm1 h LYS 42 Cb 0.97 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.49 2mm1 h LYS 42 CO -0.17 0.00 -0.51 -0.06 -1.08 0.00 0.00 179.45 177.62 2mm1 s PHE 43 N -4.93 3.36 -0.11 -1.35 0.40 -0.29 -4.95 117.98 110.12 2mm1 s PHE 43 Ca -0.05 0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.53 2mm1 s PHE 43 Cb 0.19 -2.13 -0.25 0.00 0.51 0.00 0.00 43.02 41.34 2mm1 s PHE 43 CO 0.69 0.25 0.41 -0.25 0.70 0.00 0.00 175.22 177.02 2mm1 n ASP 44 N 3.50 1.69 0.21 1.36 9.92 -1.26 -3.27 116.55 128.69 2mm1 n ASP 44 Ca -0.16 0.24 0.14 0.00 -0.53 0.00 0.00 54.79 54.48 2mm1 n ASP 44 Cb 0.52 -0.55 0.72 0.00 -0.64 0.00 0.00 41.12 41.18 2mm1 n ASP 44 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 2mm1 h ARG 45 N 0.05 0.00 0.00 -1.24 0.11 -1.95 -2.03 114.38 109.32 2mm1 h ARG 45 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 2mm1 h ARG 45 Cb 2.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.11 2mm1 h ARG 45 CO 0.07 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.33 2mm1 n PHE 46 N -2.51 0.00 -0.27 4.08 3.72 -1.26 -4.75 117.46 116.47 2mm1 n PHE 46 Ca -0.01 -0.10 0.05 0.00 -0.05 0.00 0.00 57.45 57.35 2mm1 n PHE 46 Cb 0.10 -0.01 0.16 0.00 -0.94 0.00 0.00 39.48 38.79 2mm1 n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2mm1 h LYS 47 N 0.00 0.06 0.00 -1.08 1.57 -1.34 0.78 116.57 116.55 2mm1 h LYS 47 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2mm1 h LYS 47 Cb 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2mm1 h LYS 47 CO 0.00 0.04 0.00 -2.39 -0.57 0.00 0.00 179.45 176.53 2mm1 n HIS 48 N -5.42 0.05 -2.18 -1.35 1.44 -1.26 -4.67 115.22 101.82 2mm1 n HIS 48 Ca 0.14 0.02 -0.42 0.00 -2.01 0.00 0.00 57.72 55.45 2mm1 n HIS 48 Cb 0.49 -0.53 -0.03 0.00 0.12 0.00 0.00 29.99 30.04 2mm1 n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2mm1 s LEU 49 N -3.08 4.35 -0.09 2.39 1.02 0.27 -4.82 118.68 118.71 2mm1 s LEU 49 Ca 0.06 2.24 -0.08 0.00 0.02 0.00 0.00 54.13 56.37 2mm1 s LEU 49 Cb 0.09 -3.57 -0.05 0.00 0.02 0.00 0.00 46.19 42.68 2mm1 s LEU 49 CO 0.25 -0.69 -0.17 0.29 0.02 0.00 0.00 176.35 176.04 2mm1 n LYS 50 N 4.68 0.28 -4.17 1.70 4.76 -1.26 -5.04 118.16 119.11 2mm1 n LYS 50 Ca 0.12 0.12 -0.23 0.00 -2.87 0.00 0.00 58.31 55.45 2mm1 n LYS 50 Cb 0.43 -0.97 -0.06 0.00 -1.84 0.00 0.00 35.03 32.59 2mm1 n LYS 50 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2mm1 s SER 51 N -6.10 5.19 0.48 4.39 0.01 -1.26 -4.98 113.70 111.42 2mm1 s SER 51 Ca -0.17 -0.35 0.23 0.00 1.31 0.00 0.00 55.95 56.97 2mm1 s SER 51 Cb 0.05 -1.22 1.21 0.00 0.21 0.00 0.00 66.02 66.27 2mm1 s SER 51 CO 0.23 -0.00 1.99 -0.08 0.41 0.00 0.00 173.24 175.78 2mm1 h GLU 52 N 1.83 0.00 0.19 12.44 4.81 -1.96 0.74 114.58 132.62 2mm1 h GLU 52 Ca -0.47 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 2mm1 h GLU 52 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2mm1 h GLU 52 CO 0.61 0.18 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.54 2mm1 h ASP 53 N 0.00 -0.21 -0.19 1.04 3.32 -1.97 1.81 116.42 120.22 2mm1 h ASP 53 Ca -0.00 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 56.87 2mm1 h ASP 53 Cb 0.45 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 2mm1 h ASP 53 CO 0.02 0.09 0.06 -0.33 -1.72 0.00 0.00 179.24 177.36 2mm1 h GLU 54 N -0.53 0.14 0.08 3.56 5.08 -1.60 -2.32 114.58 118.99 2mm1 h GLU 54 Ca -0.03 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2mm1 h GLU 54 Cb 0.40 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2mm1 h GLU 54 CO 0.04 0.09 -0.20 0.52 -1.00 0.00 0.00 179.01 178.46 2mm1 h MET 55 N 0.14 -0.36 -0.14 2.33 2.86 0.61 -1.52 114.93 118.86 2mm1 h MET 55 Ca 0.08 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.79 2mm1 h MET 55 Cb 0.06 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2mm1 h MET 55 CO -0.09 -0.24 0.16 0.87 1.06 0.00 0.00 176.91 178.68 2mm1 h LYS 56 N -0.37 0.00 0.00 1.72 1.57 0.30 -2.12 116.57 117.67 2mm1 h LYS 56 Ca 0.03 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2mm1 h LYS 56 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2mm1 h LYS 56 CO -0.13 0.00 -0.96 0.00 -0.57 0.00 0.00 179.45 177.79 2mm1 h ALA 57 N 1.81 0.62 -2.19 3.86 0.00 -0.74 -3.47 119.26 119.14 2mm1 h ALA 57 Ca 0.07 -0.28 -0.55 0.00 0.00 0.00 0.00 54.91 54.15 2mm1 h ALA 57 Cb 0.39 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2mm1 h ALA 57 CO -0.00 0.31 1.09 0.45 0.00 0.00 0.00 179.25 181.10 2mm1 s SER 58 N -5.67 6.60 0.31 0.00 0.15 -0.80 -4.91 113.70 109.38 2mm1 s SER 58 Ca 0.00 2.03 0.16 0.00 0.70 0.00 0.00 55.95 58.84 2mm1 s SER 58 Cb 0.09 -2.53 0.40 0.00 -1.71 0.00 0.00 66.02 62.27 2mm1 s SER 58 CO 0.78 -1.01 1.60 -0.33 1.20 0.00 0.00 173.24 175.48 2mm1 h GLU 59 N 9.82 0.00 -0.26 5.44 4.39 -1.90 -3.19 114.58 128.89 2mm1 h GLU 59 Ca -0.37 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.28 2mm1 h GLU 59 Cb 1.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 2mm1 h GLU 59 CO 0.97 0.50 -0.04 0.22 -1.16 0.00 0.00 179.01 179.50 2mm1 h ASP 60 N 0.00 0.48 -0.53 1.42 3.58 -1.96 -0.65 116.42 118.75 2mm1 h ASP 60 Ca -0.01 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.10 2mm1 h ASP 60 Cb 1.13 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 42.02 2mm1 h ASP 60 CO 0.07 0.72 0.35 0.25 -2.88 0.00 0.00 179.24 177.74 2mm1 h LEU 61 N 0.24 0.62 -0.51 2.28 6.46 -1.92 0.85 115.31 123.32 2mm1 h LEU 61 Ca 0.07 -0.02 0.08 0.00 -0.12 0.00 0.00 57.88 57.88 2mm1 h LEU 61 Cb 0.50 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.21 2mm1 h LEU 61 CO 0.02 0.45 0.16 0.50 -0.62 0.00 0.00 178.44 178.96 2mm1 h LYS 62 N 0.72 0.32 -0.38 1.25 3.64 -1.51 0.80 116.57 121.42 2mm1 h LYS 62 Ca 0.19 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2mm1 h LYS 62 Cb -0.07 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.62 2mm1 h LYS 62 CO -0.04 0.21 0.03 0.87 -2.27 0.00 0.00 179.45 178.25 2mm1 h LYS 63 N 0.33 0.13 -0.33 1.90 1.57 0.33 -2.55 116.57 117.95 2mm1 h LYS 63 Ca 0.25 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.92 2mm1 h LYS 63 Cb 0.29 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2mm1 h LYS 63 CO -0.27 0.09 -0.18 1.25 -0.57 0.00 0.00 179.45 179.76 2mm1 h HIS 64 N 0.14 0.83 -0.72 -1.35 2.76 0.23 -2.78 115.15 114.26 2mm1 h HIS 64 Ca 0.18 -0.21 0.14 0.00 -2.20 0.00 0.00 60.37 58.28 2mm1 h HIS 64 Cb 0.24 -0.19 -0.09 0.00 1.55 0.00 0.00 27.41 28.92 2mm1 h HIS 64 CO -0.23 0.93 0.26 0.78 -1.30 0.00 0.00 177.93 178.37 2mm1 h GLY 65 N 0.49 1.06 0.40 5.26 0.00 -0.76 -0.99 103.07 108.53 2mm1 h GLY 65 Ca 0.07 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.30 2mm1 h GLY 65 CO 0.05 -0.10 -0.33 0.00 0.00 0.00 0.00 176.54 176.16 2mm1 h ALA 66 N 1.53 -0.57 -0.83 3.60 0.00 -1.36 -0.21 119.26 121.43 2mm1 h ALA 66 Ca 0.39 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.39 2mm1 h ALA 66 Cb 0.59 0.55 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 2mm1 h ALA 66 CO -0.40 -0.88 0.41 1.15 0.00 0.00 0.00 179.25 179.53 2mm1 h THR 67 N -0.56 0.73 0.04 0.00 2.02 -0.98 0.62 112.91 114.79 2mm1 h THR 67 Ca 0.03 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 2mm1 h THR 67 Cb 0.59 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2mm1 h THR 67 CO -0.20 0.11 -0.02 0.58 0.37 0.00 0.00 175.52 176.36 2mm1 h VAL 68 N 0.60 1.08 0.00 3.16 2.07 -0.57 0.23 116.25 122.82 2mm1 h VAL 68 Ca 0.45 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 2mm1 h VAL 68 Cb 0.63 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2mm1 h VAL 68 CO -0.36 0.10 -0.14 -0.07 0.02 0.00 0.00 177.57 177.12 2mm1 h LEU 69 N -0.24 0.00 0.11 2.57 3.38 -0.32 -1.15 115.31 119.67 2mm1 h LEU 69 Ca -0.01 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 2mm1 h LEU 69 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2mm1 h LEU 69 CO 0.01 0.14 -1.30 0.74 0.09 0.00 0.00 178.44 178.12 2mm1 h THR 70 N 0.00 1.42 0.22 0.22 2.02 -0.65 -2.59 112.91 113.55 2mm1 h THR 70 Ca -0.00 -3.02 -0.01 0.00 0.77 0.00 0.00 66.41 64.14 2mm1 h THR 70 Cb 0.37 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.67 2mm1 h THR 70 CO 0.02 0.87 -0.10 0.00 0.37 0.00 0.00 175.52 176.68 2mm1 h ALA 71 N 0.60 -0.29 -0.27 6.16 0.00 0.09 -2.46 119.26 123.09 2mm1 h ALA 71 Ca -0.15 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.57 2mm1 h ALA 71 Cb 1.97 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.84 2mm1 h ALA 71 CO 0.19 -0.40 -0.18 1.25 0.00 0.00 0.00 179.25 180.11 2mm1 h LEU 72 N -0.82 -0.64 -1.65 0.00 5.85 -1.32 0.42 115.31 117.14 2mm1 h LEU 72 Ca -0.03 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.90 2mm1 h LEU 72 Cb 0.51 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 2mm1 h LEU 72 CO 0.05 -0.08 0.43 1.23 -0.34 0.00 0.00 178.44 179.73 2mm1 h GLY 73 N -0.02 0.56 -0.25 3.75 0.00 -1.59 0.16 103.07 105.67 2mm1 h GLY 73 Ca 0.04 -0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.33 2mm1 h GLY 73 CO -0.26 0.08 -0.22 -1.33 0.00 0.00 0.00 176.54 174.80 2mm1 h GLY 74 N 0.37 0.20 0.56 4.60 0.00 0.33 -2.63 103.07 106.50 2mm1 h GLY 74 Ca 0.30 0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.90 2mm1 h GLY 74 CO -0.08 -0.23 -0.22 -2.22 0.00 0.00 0.00 176.54 173.80 2mm1 h ILE 75 N -0.08 0.27 -1.25 2.60 2.04 -0.34 -3.31 117.51 117.43 2mm1 h ILE 75 Ca 0.26 -0.57 0.40 0.00 1.00 0.00 0.00 64.86 65.95 2mm1 h ILE 75 Cb 0.49 0.41 -0.12 0.00 -0.74 0.00 0.00 36.82 36.85 2mm1 h ILE 75 CO -0.62 0.05 0.80 -0.07 0.00 0.00 0.00 178.15 178.31 2mm1 h LEU 76 N -1.06 0.29 0.00 1.44 3.38 -0.86 0.17 115.31 118.67 2mm1 h LEU 76 Ca -0.06 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2mm1 h LEU 76 Cb 0.55 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2mm1 h LEU 76 CO 0.10 -0.14 0.00 1.17 0.09 0.00 0.00 178.44 179.66 2mm1 n LYS 77 N -4.71 0.04 -0.57 1.13 4.81 -1.01 -1.76 118.16 116.09 2mm1 n LYS 77 Ca 0.35 0.29 0.08 0.00 -0.87 0.00 0.00 58.31 58.16 2mm1 n LYS 77 Cb 1.32 -1.50 0.31 0.00 0.02 0.00 0.00 35.03 35.18 2mm1 n LYS 77 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2mm1 n LYS 78 N -1.44 3.65 -3.43 1.64 5.02 0.05 -4.99 118.16 118.65 2mm1 n LYS 78 Ca 0.03 -2.85 0.00 0.00 -2.02 0.00 0.00 58.31 53.47 2mm1 n LYS 78 Cb 0.11 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 2mm1 n LYS 78 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2mm1 n LYS 79 N 0.32 -0.93 0.00 1.97 5.02 -0.72 0.25 118.16 124.07 2mm1 n LYS 79 Ca 0.23 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 2mm1 n LYS 79 Cb 0.92 0.83 0.00 0.00 -0.02 0.00 0.00 35.03 36.75 2mm1 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2mm1 n GLY 80 N -0.85 3.17 3.13 0.72 0.00 -1.26 -4.96 105.19 105.15 2mm1 n GLY 80 Ca 0.00 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 2mm1 n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2mm1 n HIS 81 N 0.00 3.69 -0.24 1.61 8.25 0.14 -4.73 115.22 123.95 2mm1 n HIS 81 Ca 0.00 -3.08 0.03 0.00 -0.26 0.00 0.00 57.72 54.41 2mm1 n HIS 81 Cb 0.00 -1.79 0.06 0.00 1.12 0.00 0.00 29.99 29.38 2mm1 n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2mm1 n HIS 82 N 3.45 0.14 -0.21 4.41 1.44 -1.26 -4.77 115.22 118.42 2mm1 n HIS 82 Ca 0.33 -0.59 0.02 0.00 -2.01 0.00 0.00 57.72 55.46 2mm1 n HIS 82 Cb 0.38 -0.07 0.11 0.00 0.12 0.00 0.00 29.99 30.52 2mm1 n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2mm1 h GLU 83 N 0.48 0.11 -0.97 -1.40 4.39 -1.98 0.35 114.58 115.57 2mm1 h GLU 83 Ca 0.00 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.78 2mm1 h GLU 83 Cb 0.66 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.22 2mm1 h GLU 83 CO 0.01 0.08 0.61 0.00 -1.16 0.00 0.00 179.01 178.55 2mm1 h ALA 84 N 1.58 1.38 0.00 3.43 0.00 -2.01 -1.83 119.26 121.82 2mm1 h ALA 84 Ca 0.34 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.08 2mm1 h ALA 84 Cb 0.55 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2mm1 h ALA 84 CO -0.55 0.33 -0.88 0.93 0.00 0.00 0.00 179.25 179.09 2mm1 h GLU 85 N 1.07 0.00 0.02 0.00 4.39 -1.32 -3.40 114.58 115.33 2mm1 h GLU 85 Ca 0.44 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.14 2mm1 h GLU 85 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2mm1 h GLU 85 CO -0.21 0.68 -0.01 0.82 -1.16 0.00 0.00 179.01 179.13 2mm1 h ILE 86 N 0.00 1.15 -0.49 3.13 2.04 0.15 -3.39 117.51 120.10 2mm1 h ILE 86 Ca -0.04 -1.78 0.04 0.00 1.00 0.00 0.00 64.86 64.08 2mm1 h ILE 86 Cb 1.60 2.13 -0.06 0.00 -0.74 0.00 0.00 36.82 39.76 2mm1 h ILE 86 CO 0.09 0.38 -0.29 0.29 0.00 0.00 0.00 178.15 178.62 2mm1 n LYS 87 N -4.70 -0.21 0.15 2.37 4.76 -0.74 -1.20 118.16 118.59 2mm1 n LYS 87 Ca -0.07 0.77 -0.14 0.00 -2.87 0.00 0.00 58.31 56.01 2mm1 n LYS 87 Cb 0.31 -1.13 -0.07 0.00 -1.84 0.00 0.00 35.03 32.30 2mm1 n LYS 87 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2mm1 h PRO 88 N 0.00 -0.44 -0.74 1.97 0.13 -1.82 -0.06 132.00 131.04 2mm1 h PRO 88 Ca 0.08 0.03 0.07 0.00 -0.87 0.00 0.00 66.00 65.31 2mm1 h PRO 88 Cb 0.20 0.10 -0.10 0.00 0.13 0.00 0.00 31.00 31.33 2mm1 h PRO 88 CO -0.46 -0.29 -0.56 1.25 -0.23 0.00 0.00 178.00 177.71 2mm1 h LEU 89 N -0.45 -1.99 -0.29 1.56 6.46 -1.35 0.17 115.31 119.42 2mm1 h LEU 89 Ca -0.00 0.29 -0.00 0.00 -0.12 0.00 0.00 57.88 58.04 2mm1 h LEU 89 Cb 0.42 0.86 -0.01 0.00 -0.73 0.00 0.00 40.66 41.19 2mm1 h LEU 89 CO -0.05 -0.29 0.18 0.00 -0.62 0.00 0.00 178.44 177.66 2mm1 h ALA 90 N 0.23 0.37 -0.14 1.25 0.00 -1.35 -1.35 119.26 118.27 2mm1 h ALA 90 Ca 0.12 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2mm1 h ALA 90 Cb 0.47 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2mm1 h ALA 90 CO -0.78 -0.14 -0.33 1.96 0.00 0.00 0.00 179.25 179.97 2mm1 h GLN 91 N 0.38 -0.29 -0.15 0.00 4.20 0.21 0.70 115.11 120.16 2mm1 h GLN 91 Ca 0.11 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2mm1 h GLN 91 Cb -0.00 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2mm1 h GLN 91 CO -0.02 -0.19 0.03 0.66 -0.67 0.00 0.00 178.83 178.63 2mm1 h SER 92 N -0.30 0.18 1.01 1.46 4.64 -0.64 -2.12 113.55 117.77 2mm1 h SER 92 Ca 0.03 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 2mm1 h SER 92 Cb 0.38 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2mm1 h SER 92 CO -0.30 0.20 -1.04 0.45 -0.87 0.00 0.00 176.83 175.28 2mm1 h HIS 93 N 0.21 0.00 0.00 4.77 3.86 -0.82 -2.04 115.15 121.12 2mm1 h HIS 93 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2mm1 h HIS 93 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 2mm1 h HIS 93 CO 0.00 0.31 0.00 0.00 0.86 0.00 0.00 177.93 179.10 2mm1 n ALA 94 N -2.27 -0.05 0.18 2.45 0.00 0.24 0.11 120.51 121.18 2mm1 n ALA 94 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.44 2mm1 n ALA 94 Cb 0.70 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.47 2mm1 n ALA 94 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2mm1 h THR 95 N 0.00 1.09 0.00 0.00 1.35 -1.60 -3.26 112.91 110.48 2mm1 h THR 95 Ca 0.00 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 2mm1 h THR 95 Cb 0.00 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2mm1 h THR 95 CO 0.00 0.41 -0.14 0.29 -0.25 0.00 0.00 175.52 175.83 2mm1 n LYS 96 N -3.73 0.07 0.20 4.72 5.02 -1.08 -4.72 118.16 118.65 2mm1 n LYS 96 Ca -0.01 0.03 0.06 0.00 -2.02 0.00 0.00 58.31 56.37 2mm1 n LYS 96 Cb 0.49 -0.47 0.44 0.00 -0.02 0.00 0.00 35.03 35.47 2mm1 n LYS 96 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2mm1 h HIS 97 N -0.14 0.00 -5.57 2.13 3.86 -1.57 -3.48 115.15 110.38 2mm1 h HIS 97 Ca 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 2mm1 h HIS 97 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2mm1 h HIS 97 CO -0.06 0.32 -0.54 1.63 0.86 0.00 0.00 177.93 180.14 2mm1 n LYS 98 N -3.80 -2.05 -3.75 2.45 5.02 -0.74 -4.99 118.16 110.29 2mm1 n LYS 98 Ca -0.01 1.82 -0.37 0.00 -2.02 0.00 0.00 58.31 57.73 2mm1 n LYS 98 Cb 0.40 -4.98 -0.13 0.00 -0.02 0.00 0.00 35.03 30.31 2mm1 n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2mm1 s ILE 99 N -2.54 4.11 0.50 -0.18 -1.09 0.31 -4.99 121.20 117.32 2mm1 s ILE 99 Ca 0.21 -0.50 -0.22 0.00 -2.23 0.00 0.00 60.65 57.90 2mm1 s ILE 99 Cb -0.05 -3.05 -0.06 0.00 -1.58 0.00 0.00 42.46 37.72 2mm1 s ILE 99 CO 0.79 0.17 1.22 -2.16 -1.23 0.00 0.00 174.94 173.73 2mm1 s PRO 100 N 1.55 3.51 0.03 2.79 0.04 -1.26 -4.76 135.00 136.90 2mm1 s PRO 100 Ca 0.04 1.91 0.13 0.00 0.04 0.00 0.00 61.00 63.13 2mm1 s PRO 100 Cb -0.16 -2.32 0.58 0.00 0.04 0.00 0.00 34.50 32.63 2mm1 s PRO 100 CO 0.03 -0.79 1.43 1.33 0.04 0.00 0.00 177.00 179.03 2mm1 n VAL 101 N -0.74 1.12 0.15 -0.36 0.24 -1.26 -1.38 118.33 116.10 2mm1 n VAL 101 Ca 0.09 0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.68 2mm1 n VAL 101 Cb 0.47 -1.09 0.27 0.00 -1.47 0.00 0.00 33.84 32.02 2mm1 n VAL 101 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2mm1 h LYS 102 N 0.00 0.04 0.00 7.34 3.64 -2.00 -2.93 116.57 122.66 2mm1 h LYS 102 Ca 0.00 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 2mm1 h LYS 102 Cb 0.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2mm1 h LYS 102 CO 0.00 0.50 -0.43 1.88 -2.27 0.00 0.00 179.45 179.13 2mm1 h TYR 103 N 0.04 0.00 0.00 1.91 -1.99 -1.59 -1.20 116.97 114.13 2mm1 h TYR 103 Ca -0.00 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.59 2mm1 h TYR 103 Cb 0.84 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.55 2mm1 h TYR 103 CO 0.00 0.43 -0.64 -0.07 -0.00 0.00 0.00 178.16 177.89 2mm1 h LEU 104 N 0.00 0.00 0.00 3.88 3.38 -1.59 -2.29 115.31 118.69 2mm1 h LEU 104 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 2mm1 h LEU 104 Cb 1.08 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 2mm1 h LEU 104 CO 0.06 0.64 -1.21 1.05 0.09 0.00 0.00 178.44 179.06 2mm1 h GLU 105 N 0.00 0.00 0.25 1.13 4.11 -1.47 -2.50 114.58 116.11 2mm1 h GLU 105 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2mm1 h GLU 105 Cb 1.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 2mm1 h GLU 105 CO 0.08 0.82 -0.31 0.74 0.07 0.00 0.00 179.01 180.41 2mm1 h PHE 106 N 0.00 -0.88 0.00 2.06 -1.00 -1.06 -0.22 116.94 115.85 2mm1 h PHE 106 Ca -0.10 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.69 2mm1 h PHE 106 Cb 1.83 0.35 0.00 0.00 3.61 0.00 0.00 35.95 41.74 2mm1 h PHE 106 CO 0.00 -0.40 0.00 1.51 -1.61 0.00 0.00 178.31 177.81 2mm1 n ILE 107 N -4.26 0.24 0.11 -0.55 3.06 -0.88 -1.95 119.36 115.13 2mm1 n ILE 107 Ca -0.07 0.06 -0.23 0.00 -2.50 0.00 0.00 62.75 60.02 2mm1 n ILE 107 Cb 0.28 -0.70 -0.15 0.00 0.54 0.00 0.00 39.64 39.60 2mm1 n ILE 107 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 2mm1 h SER 108 N 0.00 0.69 0.16 9.51 0.02 -0.75 -3.10 113.55 120.09 2mm1 h SER 108 Ca 0.00 -0.84 -0.01 0.00 -0.84 0.00 0.00 61.79 60.10 2mm1 h SER 108 Cb 0.15 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2mm1 h SER 108 CO 0.00 1.68 -0.08 -0.08 -1.14 0.00 0.00 176.83 177.21 2mm1 h GLU 109 N 0.12 -0.21 -0.96 3.45 4.81 -0.41 -2.07 114.58 119.31 2mm1 h GLU 109 Ca -0.27 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.12 2mm1 h GLU 109 Cb 2.12 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 31.46 2mm1 h GLU 109 CO 0.23 -0.01 0.61 0.00 -0.73 0.00 0.00 179.01 179.10 2mm1 h ALA 110 N 0.44 1.71 -0.64 2.92 0.00 -1.64 -0.88 119.26 121.17 2mm1 h ALA 110 Ca -0.02 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2mm1 h ALA 110 Cb 0.29 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2mm1 h ALA 110 CO 0.04 0.02 0.12 0.82 0.00 0.00 0.00 179.25 180.24 2mm1 h ILE 111 N 0.80 1.25 -0.36 0.00 2.04 -1.31 -1.00 117.51 118.95 2mm1 h ILE 111 Ca 0.49 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 2mm1 h ILE 111 Cb 0.70 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2mm1 h ILE 111 CO -0.26 0.37 0.04 0.40 0.00 0.00 0.00 178.15 178.70 2mm1 h ILE 112 N 0.97 1.24 -0.57 -0.67 2.04 -0.66 -3.00 117.51 116.87 2mm1 h ILE 112 Ca 0.20 -0.87 0.07 0.00 1.00 0.00 0.00 64.86 65.26 2mm1 h ILE 112 Cb 0.39 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 2mm1 h ILE 112 CO 0.01 0.29 0.25 -0.61 0.00 0.00 0.00 178.15 178.09 2mm1 h GLN 113 N 0.43 0.45 -0.27 2.37 4.15 -1.07 -1.44 115.11 119.73 2mm1 h GLN 113 Ca 0.11 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.36 2mm1 h GLN 113 Cb 0.38 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2mm1 h GLN 113 CO 0.01 0.30 -0.39 0.28 -1.93 0.00 0.00 178.83 177.10 2mm1 h VAL 114 N 0.47 1.29 -0.83 2.39 2.07 -1.14 -1.36 116.25 119.13 2mm1 h VAL 114 Ca 0.27 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 2mm1 h VAL 114 Cb 0.26 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 2mm1 h VAL 114 CO -0.23 0.50 0.39 -0.07 0.02 0.00 0.00 177.57 178.18 2mm1 h LEU 115 N 0.53 1.08 -0.04 2.57 3.38 -1.31 -1.19 115.31 120.32 2mm1 h LEU 115 Ca 0.05 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2mm1 h LEU 115 Cb 0.91 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2mm1 h LEU 115 CO 0.08 0.91 0.01 1.56 0.09 0.00 0.00 178.44 181.10 2mm1 h GLN 116 N 1.18 0.07 -0.25 1.13 4.20 -1.02 -1.88 115.11 118.53 2mm1 h GLN 116 Ca 0.28 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.99 2mm1 h GLN 116 Cb 0.12 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2mm1 h GLN 116 CO -0.04 0.27 0.14 0.77 -0.67 0.00 0.00 178.83 179.30 2mm1 h SER 117 N -0.14 0.22 0.70 1.46 0.02 -0.78 -3.03 113.55 112.01 2mm1 h SER 117 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2mm1 h SER 117 Cb 0.23 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2mm1 h SER 117 CO -0.00 0.17 -0.72 0.29 -1.14 0.00 0.00 176.83 175.43 2mm1 n LYS 118 N -4.95 0.26 -3.14 3.45 5.02 -0.49 -4.51 118.16 113.78 2mm1 n LYS 118 Ca -0.02 0.05 -0.18 0.00 -2.02 0.00 0.00 58.31 56.14 2mm1 n LYS 118 Cb 0.05 -1.64 -0.02 0.00 -0.02 0.00 0.00 35.03 33.40 2mm1 n LYS 118 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2mm1 n HIS 119 N -2.00 -0.19 0.00 2.13 8.25 -0.71 -5.02 115.22 117.68 2mm1 n HIS 119 Ca 0.03 -3.62 0.00 0.00 -0.26 0.00 0.00 57.72 53.87 2mm1 n HIS 119 Cb 0.43 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.33 2mm1 n HIS 119 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2mm1 n PRO 120 N 0.43 0.00 0.00 -0.41 -0.04 -1.14 -1.24 135.00 132.60 2mm1 n PRO 120 Ca 0.23 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.39 2mm1 n PRO 120 Cb 0.65 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 2mm1 n PRO 120 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2mm1 n GLY 121 N -0.96 1.33 0.00 0.55 0.00 -1.26 -2.51 105.19 102.34 2mm1 n GLY 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2mm1 n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2mm1 n ASP 122 N 0.61 0.00 -3.58 1.61 9.92 -1.05 -4.88 116.55 119.17 2mm1 n ASP 122 Ca 0.00 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 53.94 2mm1 n ASP 122 Cb 0.32 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.75 2mm1 n ASP 122 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2mm1 n PHE 123 N 0.00 3.23 -2.18 1.24 7.35 -0.37 -4.88 117.46 121.85 2mm1 n PHE 123 Ca 0.00 -3.66 -0.27 0.00 -0.76 0.00 0.00 57.45 52.77 2mm1 n PHE 123 Cb 0.00 -0.77 0.11 0.00 0.35 0.00 0.00 39.48 39.17 2mm1 n PHE 123 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2mm1 s GLY 124 N -2.30 1.72 0.00 7.13 0.00 -1.26 -4.78 107.32 107.83 2mm1 s GLY 124 Ca 0.38 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.96 2mm1 s GLY 124 CO 0.02 -0.59 0.62 0.00 0.00 0.00 0.00 173.10 173.15 2mm1 n ALA 125 N -3.17 -0.02 -0.05 3.20 0.00 -1.26 0.83 120.51 120.03 2mm1 n ALA 125 Ca 0.11 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.72 2mm1 n ALA 125 Cb 0.60 0.26 0.60 0.00 0.00 0.00 0.00 19.45 20.91 2mm1 n ALA 125 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2mm1 h ASP 126 N 0.00 0.18 0.16 0.00 2.03 -1.99 0.77 116.42 117.57 2mm1 h ASP 126 Ca 0.00 0.01 -0.08 0.00 -0.73 0.00 0.00 57.03 56.23 2mm1 h ASP 126 Cb 0.00 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 38.46 2mm1 h ASP 126 CO 0.00 0.10 -0.28 0.00 -1.03 0.00 0.00 179.24 178.03 2mm1 h ALA 127 N 1.71 1.34 0.00 4.15 0.00 -1.71 -2.19 119.26 122.55 2mm1 h ALA 127 Ca 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2mm1 h ALA 127 Cb 0.83 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2mm1 h ALA 127 CO -0.05 0.46 -0.21 0.94 0.00 0.00 0.00 179.25 180.39 2mm1 n GLN 128 N -4.15 0.05 0.03 0.00 7.27 0.26 -3.51 117.38 117.32 2mm1 n GLN 128 Ca -0.01 0.03 -0.12 0.00 0.07 0.00 0.00 57.00 56.96 2mm1 n GLN 128 Cb 0.37 -1.54 -0.14 0.00 2.41 0.00 0.00 30.24 31.34 2mm1 n GLN 128 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 2mm1 h GLY 129 N 4.92 0.13 0.08 1.69 0.00 -0.54 -3.32 103.07 106.02 2mm1 h GLY 129 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 2mm1 h GLY 129 CO 0.00 0.29 -0.04 0.00 0.00 0.00 0.00 176.54 176.80 2mm1 h ALA 130 N 0.73 -0.25 -1.32 3.60 0.00 -1.63 -2.95 119.26 117.44 2mm1 h ALA 130 Ca -0.24 -0.02 0.47 0.00 0.00 0.00 0.00 54.91 55.12 2mm1 h ALA 130 Cb 1.97 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 19.66 2mm1 h ALA 130 CO 0.12 -0.24 0.83 1.98 0.00 0.00 0.00 179.25 181.94 2mm1 h MET 131 N -0.37 0.01 -0.45 0.00 1.85 -1.78 3.94 114.93 118.13 2mm1 h MET 131 Ca -0.01 -0.00 -0.13 0.00 -0.61 0.00 0.00 59.70 58.95 2mm1 h MET 131 Cb 0.08 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.10 2mm1 h MET 131 CO 0.02 0.01 -0.22 -0.97 -0.40 0.00 0.00 176.91 175.35 2mm1 h ASN 132 N 0.01 0.97 0.73 1.39 -0.73 -1.68 -0.07 115.58 116.21 2mm1 h ASN 132 Ca 0.88 -0.40 -0.10 0.00 1.87 0.00 0.00 56.30 58.54 2mm1 h ASN 132 Cb 2.74 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 41.04 2mm1 h ASN 132 CO -0.52 1.16 -0.50 0.11 -0.37 0.00 0.00 177.43 177.31 2mm1 h LYS 133 N 0.78 0.00 0.12 6.67 1.57 0.76 -1.11 116.57 125.35 2mm1 h LYS 133 Ca 0.10 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2mm1 h LYS 133 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2mm1 h LYS 133 CO 0.07 0.50 -0.06 0.00 -0.57 0.00 0.00 179.45 179.39 2mm1 h ALA 134 N 1.50 -0.16 -0.32 3.86 0.00 -0.12 -1.38 119.26 122.65 2mm1 h ALA 134 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2mm1 h ALA 134 Cb 1.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2mm1 h ALA 134 CO 0.06 -0.47 0.11 -0.07 0.00 0.00 0.00 179.25 178.88 2mm1 h LEU 135 N -0.39 0.45 0.08 0.00 3.38 -0.96 -1.81 115.31 116.06 2mm1 h LEU 135 Ca -0.02 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.79 2mm1 h LEU 135 Cb 0.32 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2mm1 h LEU 135 CO 0.03 0.52 -0.39 -0.33 0.09 0.00 0.00 178.44 178.36 2mm1 h GLU 136 N 0.36 -0.57 -0.81 1.13 5.08 -1.22 -1.38 114.58 117.17 2mm1 h GLU 136 Ca 0.10 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.66 2mm1 h GLU 136 Cb 0.22 0.13 -0.15 0.00 0.50 0.00 0.00 28.75 29.45 2mm1 h GLU 136 CO -0.01 -0.38 -0.24 1.25 -1.00 0.00 0.00 179.01 178.63 2mm1 h LEU 137 N -0.59 -0.89 0.18 1.33 5.85 -0.99 0.92 115.31 121.12 2mm1 h LEU 137 Ca 0.03 0.25 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2mm1 h LEU 137 Cb 0.64 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 2mm1 h LEU 137 CO -0.25 -0.28 -0.39 0.15 -0.34 0.00 0.00 178.44 177.33 2mm1 h PHE 138 N -0.02 -1.11 -0.73 1.25 3.57 -0.83 0.20 116.94 119.26 2mm1 h PHE 138 Ca 0.37 0.02 0.15 0.00 3.53 0.00 0.00 57.97 62.04 2mm1 h PHE 138 Cb 0.60 0.46 -0.14 0.00 2.79 0.00 0.00 35.95 39.66 2mm1 h PHE 138 CO -0.67 -0.46 -0.13 0.00 -2.23 0.00 0.00 178.31 174.81 2mm1 h ARG 139 N -0.62 0.02 0.09 1.11 3.08 -0.10 0.52 114.38 118.48 2mm1 h ARG 139 Ca -0.02 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.05 2mm1 h ARG 139 Cb 0.59 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 2mm1 h ARG 139 CO -0.16 0.02 -0.41 1.57 -1.07 0.00 0.00 179.97 179.92 2mm1 h LYS 140 N 0.02 -0.60 -0.14 0.04 2.10 -0.50 0.71 116.57 118.20 2mm1 h LYS 140 Ca 0.36 0.04 0.05 0.00 -2.00 0.00 0.00 60.65 59.10 2mm1 h LYS 140 Cb 0.58 0.14 -0.06 0.00 -0.90 0.00 0.00 32.23 31.99 2mm1 h LYS 140 CO -0.72 -0.40 -0.23 -0.44 -2.00 0.00 0.00 179.45 175.66 2mm1 h ASP 141 N -0.63 -0.70 -0.28 7.07 3.32 0.13 -1.70 116.42 123.63 2mm1 h ASP 141 Ca 0.03 0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.25 2mm1 h ASP 141 Cb 0.67 0.32 -0.08 0.00 0.22 0.00 0.00 39.33 40.45 2mm1 h ASP 141 CO -0.26 -0.27 -0.43 -0.03 -1.72 0.00 0.00 179.24 176.53 2mm1 h MET 142 N -0.28 -0.39 -0.66 3.56 4.05 0.42 -1.63 114.93 120.00 2mm1 h MET 142 Ca 0.11 0.03 0.12 0.00 -0.28 0.00 0.00 59.70 59.68 2mm1 h MET 142 Cb 0.44 0.09 -0.09 0.00 -0.80 0.00 0.00 31.60 31.23 2mm1 h MET 142 CO -0.31 -0.26 0.19 0.00 0.23 0.00 0.00 176.91 176.77 2mm1 h ALA 143 N 0.28 0.84 0.30 0.39 0.00 0.11 -2.75 119.26 118.44 2mm1 h ALA 143 Ca 0.11 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2mm1 h ALA 143 Cb 0.60 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2mm1 h ALA 143 CO -0.50 -0.27 -0.33 0.77 0.00 0.00 0.00 179.25 178.92 2mm1 h SER 144 N 0.32 -0.89 -0.75 0.00 0.02 -0.43 -2.34 113.55 109.49 2mm1 h SER 144 Ca 0.35 0.08 0.06 0.00 -0.84 0.00 0.00 61.79 61.45 2mm1 h SER 144 Cb 0.53 0.31 -0.05 0.00 0.14 0.00 0.00 62.40 63.33 2mm1 h SER 144 CO -0.41 -0.46 0.49 0.78 -1.14 0.00 0.00 176.83 176.09 2mm1 h ASN 145 N -0.67 0.70 -0.47 3.07 4.21 -1.44 0.12 115.58 121.09 2mm1 h ASN 145 Ca -0.01 0.00 0.07 0.00 1.21 0.00 0.00 56.30 57.57 2mm1 h ASN 145 Cb 0.62 -0.15 -0.06 0.00 -1.12 0.00 0.00 38.32 37.61 2mm1 h ASN 145 CO -0.08 0.45 0.13 1.88 -1.29 0.00 0.00 177.43 178.53 2mm1 h TYR 146 N 0.79 0.23 -0.70 1.19 -1.99 -1.15 -0.85 116.97 114.49 2mm1 h TYR 146 Ca 0.32 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 61.06 2mm1 h TYR 146 Cb 0.24 -0.03 -0.03 0.00 2.00 0.00 0.00 36.73 38.91 2mm1 h TYR 146 CO -0.00 0.05 0.38 0.87 -0.00 0.00 0.00 178.16 179.46 2mm1 h LYS 147 N 0.29 0.98 -0.08 4.88 1.57 -0.64 0.60 116.57 124.17 2mm1 h LYS 147 Ca 0.23 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2mm1 h LYS 147 Cb 0.27 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2mm1 h LYS 147 CO -0.26 0.74 0.17 0.93 -0.57 0.00 0.00 179.45 180.46 2mm1 h GLU 148 N 0.96 0.00 -0.03 3.15 5.08 0.50 -1.64 114.58 122.60 2mm1 h GLU 148 Ca 0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2mm1 h GLU 148 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2mm1 h GLU 148 CO -0.04 0.00 -0.02 1.28 -1.00 0.00 0.00 179.01 179.23 2mm1 n LEU 149 N -3.37 2.56 -1.47 1.33 4.77 0.19 -5.01 117.00 116.00 2mm1 n LEU 149 Ca -0.01 -3.12 -0.18 0.00 -0.03 0.00 0.00 56.01 52.67 2mm1 n LEU 149 Cb 0.26 -0.45 -0.08 0.00 -2.33 0.00 0.00 43.42 40.82 2mm1 n LEU 149 CO 0.22 0.74 -0.17 0.61 -1.33 0.00 0.00 177.39 177.45 2mm1 n GLY 150 N -1.32 1.74 0.00 -0.72 0.00 0.00 -5.00 105.19 99.89 2mm1 n GLY 150 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2mm1 n GLY 150 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2mm1 n PHE 151 N -2.26 -2.02 -0.34 1.61 3.01 -0.92 -4.95 117.46 111.58 2mm1 n PHE 151 Ca -0.18 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.16 2mm1 n PHE 151 Cb 0.63 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.10 2mm1 n PHE 151 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2mm1 n GLN 152 N -0.55 0.00 0.00 -1.08 3.00 -1.26 -4.63 117.38 112.86 2mm1 n GLN 152 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2mm1 n GLN 152 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 30.24 29.94 2mm1 n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47