#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr1 s MET 1 N 0.00 4.18 -0.31 1.43 -2.45 -1.26 -5.06 119.30 115.83 3mr1 s MET 1 Ca 0.00 0.70 -0.11 0.00 -1.25 0.00 0.00 55.69 55.02 3mr1 s MET 1 Cb 0.00 -3.62 -0.03 0.00 1.25 0.00 0.00 34.83 32.43 3mr1 s MET 1 CO 0.00 -0.37 0.20 0.42 1.05 0.00 0.00 175.02 176.32 3mr1 s ILE 2 N 2.34 5.10 0.15 10.11 -1.09 -1.26 -4.67 121.20 131.89 3mr1 s ILE 2 Ca 0.30 -0.11 -0.30 0.00 -2.23 0.00 0.00 60.65 58.30 3mr1 s ILE 2 Cb -0.16 -3.54 -0.07 0.00 -1.58 0.00 0.00 42.46 37.11 3mr1 s ILE 2 CO 0.09 0.12 1.20 -0.54 -1.23 0.00 0.00 174.94 174.58 3mr1 s LYS 3 N 1.71 4.47 -0.20 2.79 1.02 -1.26 -5.02 119.74 123.25 3mr1 s LYS 3 Ca 0.06 1.85 -0.07 0.00 0.02 0.00 0.00 55.97 57.83 3mr1 s LYS 3 Cb -0.17 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 3mr1 s LYS 3 CO 0.09 -0.14 0.06 0.42 -0.92 0.00 0.00 175.35 174.87 3mr1 s ILE 4 N 0.26 4.64 0.06 2.17 -1.09 -1.26 -4.45 121.20 121.54 3mr1 s ILE 4 Ca 0.55 -0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.91 3mr1 s ILE 4 Cb -0.32 -3.11 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 3mr1 s ILE 4 CO 0.34 0.43 0.08 -1.00 -1.23 0.00 0.00 174.94 173.56 3mr1 s HIS 5 N 0.66 3.21 0.61 3.97 3.76 0.51 -5.00 115.29 123.03 3mr1 s HIS 5 Ca 0.03 0.11 -0.04 0.00 -0.15 0.00 0.00 55.06 55.01 3mr1 s HIS 5 Cb -0.13 -1.65 0.03 0.00 1.11 0.00 0.00 32.58 31.94 3mr1 s HIS 5 CO 0.02 0.53 0.90 0.95 -0.85 0.00 0.00 174.74 176.28 3mr1 s THR 6 N -1.34 2.93 0.21 1.30 -4.23 -1.26 -4.62 115.64 108.62 3mr1 s THR 6 Ca 0.28 -0.30 -0.09 0.00 -1.18 0.00 0.00 61.69 60.40 3mr1 s THR 6 Cb -0.12 -3.18 0.15 0.00 1.34 0.00 0.00 72.50 70.69 3mr1 s THR 6 CO 0.20 -0.17 1.77 -0.08 -0.54 0.00 0.00 174.62 175.80 3mr1 h GLU 7 N -0.24 0.50 -0.97 3.99 4.57 -1.99 -0.43 114.58 120.01 3mr1 h GLU 7 Ca -0.44 -0.03 0.22 0.00 -1.18 0.00 0.00 59.36 57.93 3mr1 h GLU 7 Cb 1.29 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 29.68 3mr1 h GLU 7 CO 0.58 0.33 0.63 0.87 -1.18 0.00 0.00 179.01 180.24 3mr1 h LYS 8 N 0.52 0.44 -0.07 1.92 6.56 -2.00 -1.18 116.57 122.76 3mr1 h LYS 8 Ca 0.31 -0.03 -0.24 0.00 -1.06 0.00 0.00 60.65 59.64 3mr1 h LYS 8 Cb 0.33 -0.10 0.02 0.00 -0.57 0.00 0.00 32.23 31.91 3mr1 h LYS 8 CO -0.26 0.29 -0.88 -0.44 -2.06 0.00 0.00 179.45 176.10 3mr1 h ASP 9 N 0.46 0.90 -0.91 0.86 3.32 -1.48 -3.01 116.42 116.55 3mr1 h ASP 9 Ca 0.53 -0.69 0.11 0.00 0.02 0.00 0.00 57.03 57.00 3mr1 h ASP 9 Cb 1.25 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 40.45 3mr1 h ASP 9 CO -0.24 1.46 0.54 -0.26 -1.72 0.00 0.00 179.24 179.02 3mr1 h PHE 10 N 0.41 0.99 -0.22 4.55 -1.00 -0.53 -1.52 116.94 119.62 3mr1 h PHE 10 Ca -0.09 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.75 3mr1 h PHE 10 Cb 1.53 -0.31 -0.03 0.00 3.61 0.00 0.00 35.95 40.76 3mr1 h PHE 10 CO 0.10 0.39 0.06 0.82 -1.61 0.00 0.00 178.31 178.07 3mr1 h ILE 11 N 0.88 0.93 -0.77 -0.55 2.04 -1.27 0.52 117.51 119.29 3mr1 h ILE 11 Ca 0.45 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 66.23 3mr1 h ILE 11 Cb 0.44 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3mr1 h ILE 11 CO -0.26 0.03 0.39 0.11 0.00 0.00 0.00 178.15 178.42 3mr1 h LYS 12 N 0.16 1.08 -0.05 2.37 1.79 -1.31 -2.63 116.57 117.98 3mr1 h LYS 12 Ca 0.10 -0.14 -0.15 0.00 -2.18 0.00 0.00 60.65 58.28 3mr1 h LYS 12 Cb 0.08 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 3mr1 h LYS 12 CO -0.11 0.81 -0.65 0.52 -1.08 0.00 0.00 179.45 178.94 3mr1 h MET 13 N 1.08 0.21 -0.25 3.15 2.86 -0.84 -1.81 114.93 119.33 3mr1 h MET 13 Ca 0.27 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3mr1 h MET 13 Cb 0.07 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3mr1 h MET 13 CO -0.04 0.78 0.11 0.00 1.06 0.00 0.00 176.91 178.82 3mr1 h ARG 14 N 0.15 0.37 -0.36 1.72 3.08 -0.68 0.11 114.38 118.77 3mr1 h ARG 14 Ca -0.01 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3mr1 h ARG 14 Cb 1.17 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 3mr1 h ARG 14 CO 0.10 0.39 0.18 0.00 -1.07 0.00 0.00 179.97 179.57 3mr1 h ALA 15 N 0.96 0.46 -0.34 0.04 0.00 -1.33 -0.66 119.26 118.39 3mr1 h ALA 15 Ca 0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3mr1 h ALA 15 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3mr1 h ALA 15 CO -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 179.25 179.25 3mr1 h ALA 16 N 1.04 0.45 -0.43 0.00 0.00 -1.28 -2.34 119.26 116.71 3mr1 h ALA 16 Ca 0.12 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3mr1 h ALA 16 Cb 0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3mr1 h ALA 16 CO -0.02 0.20 0.15 0.78 0.00 0.00 0.00 179.25 180.37 3mr1 h GLY 17 N 0.40 0.56 0.99 0.00 0.00 -0.95 -0.91 103.07 103.16 3mr1 h GLY 17 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3mr1 h GLY 17 CO 0.02 0.02 0.23 1.70 0.00 0.00 0.00 176.54 178.51 3mr1 h LYS 18 N 0.32 0.47 -0.54 4.80 3.64 -1.00 -0.10 116.57 124.17 3mr1 h LYS 18 Ca 0.20 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3mr1 h LYS 18 Cb 0.19 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3mr1 h LYS 18 CO -0.20 0.33 0.15 1.25 -2.27 0.00 0.00 179.45 178.71 3mr1 h LEU 19 N 0.47 0.80 -0.42 5.20 5.85 -1.14 0.12 115.31 126.19 3mr1 h LEU 19 Ca 0.13 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.67 3mr1 h LEU 19 Cb -0.03 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3mr1 h LEU 19 CO -0.03 0.80 0.19 0.00 -0.34 0.00 0.00 178.44 179.07 3mr1 h ALA 20 N 1.02 0.51 -0.31 1.25 0.00 -0.95 -1.68 119.26 119.10 3mr1 h ALA 20 Ca 0.17 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3mr1 h ALA 20 Cb 0.30 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3mr1 h ALA 20 CO -0.00 -0.17 0.08 0.00 0.00 0.00 0.00 179.25 179.16 3mr1 h ALA 21 N 1.23 0.34 -0.09 0.00 0.00 -0.59 -2.74 119.26 117.41 3mr1 h ALA 21 Ca 0.18 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3mr1 h ALA 21 Cb 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3mr1 h ALA 21 CO -0.14 -0.32 -0.00 0.93 0.00 0.00 0.00 179.25 179.71 3mr1 h GLU 22 N 0.21 0.12 -0.39 0.00 5.08 -0.61 0.06 114.58 119.05 3mr1 h GLU 22 Ca 0.14 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3mr1 h GLU 22 Cb 0.14 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3mr1 h GLU 22 CO -0.17 0.14 0.02 1.15 -1.00 0.00 0.00 179.01 179.15 3mr1 h THR 23 N 0.12 1.25 -0.72 1.13 2.02 -1.02 0.80 112.91 116.50 3mr1 h THR 23 Ca 0.03 -0.95 -0.06 0.00 0.77 0.00 0.00 66.41 66.20 3mr1 h THR 23 Cb 0.09 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 3mr1 h THR 23 CO 0.00 0.32 0.20 -0.07 0.37 0.00 0.00 175.52 176.35 3mr1 h LEU 24 N 0.50 1.06 -0.06 2.58 3.38 -1.15 -1.59 115.31 120.03 3mr1 h LEU 24 Ca 0.11 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3mr1 h LEU 24 Cb 0.43 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3mr1 h LEU 24 CO 0.02 1.00 0.04 0.44 0.09 0.00 0.00 178.44 180.03 3mr1 h ASP 25 N 1.07 0.07 -0.76 -0.43 3.32 -0.82 -3.20 116.42 115.67 3mr1 h ASP 25 Ca 0.23 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.35 3mr1 h ASP 25 Cb 0.33 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.80 3mr1 h ASP 25 CO -0.00 0.06 0.43 0.15 -1.72 0.00 0.00 179.24 178.15 3mr1 h PHE 26 N 0.07 0.78 0.00 4.55 3.57 -0.57 -2.83 116.94 122.51 3mr1 h PHE 26 Ca 0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3mr1 h PHE 26 Cb -0.00 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.50 3mr1 h PHE 26 CO -0.07 0.34 0.00 0.97 -2.23 0.00 0.00 178.31 177.32 3mr1 h ILE 27 N 0.75 0.00 -0.34 1.41 6.09 -1.29 -3.37 117.51 120.76 3mr1 h ILE 27 Ca 0.36 -0.51 0.07 0.00 -1.37 0.00 0.00 64.86 63.41 3mr1 h ILE 27 Cb 0.29 1.43 -0.08 0.00 0.47 0.00 0.00 36.82 38.93 3mr1 h ILE 27 CO -0.22 0.00 -0.22 0.74 -3.07 0.00 0.00 178.15 175.37 3mr1 h THR 28 N 0.00 0.39 0.00 2.19 2.02 -1.54 -0.93 112.91 115.05 3mr1 h THR 28 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3mr1 h THR 28 Cb 0.64 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3mr1 h THR 28 CO 0.00 0.00 0.00 0.44 0.37 0.00 0.00 175.52 176.33 3mr1 h ASP 29 N -0.18 0.00 1.05 4.18 3.32 -1.80 -2.17 116.42 120.82 3mr1 h ASP 29 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3mr1 h ASP 29 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3mr1 h ASP 29 CO -0.45 0.00 -0.31 1.41 -1.72 0.00 0.00 179.24 178.18 3mr1 n HIS 30 N -2.43 0.55 -2.71 4.55 8.25 -0.36 -4.76 115.22 118.31 3mr1 n HIS 30 Ca 0.01 0.16 -0.43 0.00 -0.26 0.00 0.00 57.72 57.20 3mr1 n HIS 30 Cb 0.22 -0.69 -0.03 0.00 1.12 0.00 0.00 29.99 30.61 3mr1 n HIS 30 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3mr1 s VAL 31 N -3.10 4.31 0.22 1.59 1.01 -0.82 -4.94 120.40 118.68 3mr1 s VAL 31 Ca 0.09 0.92 -0.21 0.00 0.00 0.00 0.00 61.98 62.78 3mr1 s VAL 31 Cb 0.14 -4.54 0.04 0.00 0.00 0.00 0.00 36.38 32.02 3mr1 s VAL 31 CO 0.65 -0.98 0.65 -1.59 0.00 0.00 0.00 175.10 173.83 3mr1 s LYS 32 N 4.18 1.55 0.46 2.72 -2.85 -1.26 -4.71 119.74 119.82 3mr1 s LYS 32 Ca 0.42 -0.79 -0.24 0.00 -1.00 0.00 0.00 55.97 54.36 3mr1 s LYS 32 Cb -0.09 0.59 -0.08 0.00 -2.06 0.00 0.00 37.83 36.19 3mr1 s LYS 32 CO 0.28 -0.69 1.29 -2.30 0.10 0.00 0.00 175.35 174.03 3mr1 n PRO 33 N -0.41 1.88 -1.10 1.78 -0.02 -1.26 -2.75 135.00 133.12 3mr1 n PRO 33 Ca -0.10 0.68 -0.03 0.00 -2.02 0.00 0.00 63.50 62.03 3mr1 n PRO 33 Cb 0.62 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 3mr1 n PRO 33 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3mr1 n ASN 34 N -0.10 -3.97 -4.89 2.55 3.02 0.61 -4.94 115.26 107.53 3mr1 n ASN 34 Ca 0.07 0.09 -0.35 0.00 -0.03 0.00 0.00 54.58 54.36 3mr1 n ASN 34 Cb 0.41 -1.78 -0.05 0.00 -0.61 0.00 0.00 39.78 37.75 3mr1 n ASN 34 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mr1 s VAL 35 N -1.94 5.40 0.41 2.41 1.01 -1.11 -4.77 120.40 121.80 3mr1 s VAL 35 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 3mr1 s VAL 35 Cb 0.00 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 3mr1 s VAL 35 CO 0.00 0.41 0.65 0.42 0.00 0.00 0.00 175.10 176.58 3mr1 s THR 36 N -1.24 4.97 0.17 3.92 -4.23 -1.26 -0.93 115.64 117.03 3mr1 s THR 36 Ca 0.24 -0.21 0.19 0.00 -1.18 0.00 0.00 61.69 60.73 3mr1 s THR 36 Cb -0.13 -3.84 0.14 0.00 1.34 0.00 0.00 72.50 70.01 3mr1 s THR 36 CO 0.14 -0.66 1.73 0.71 -0.54 0.00 0.00 174.62 176.01 3mr1 h THR 37 N 0.53 0.87 -0.86 3.99 1.35 -1.70 -2.65 112.91 114.44 3mr1 h THR 37 Ca -0.48 -1.51 0.10 0.00 -0.55 0.00 0.00 66.41 63.97 3mr1 h THR 37 Cb 1.22 1.92 -0.08 0.00 -1.73 0.00 0.00 68.15 69.48 3mr1 h THR 37 CO 0.61 0.36 0.50 0.78 -0.25 0.00 0.00 175.52 177.52 3mr1 h ASN 38 N 0.00 0.71 -0.71 5.36 2.35 -1.57 0.11 115.58 121.83 3mr1 h ASN 38 Ca -0.00 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 3mr1 h ASN 38 Cb 0.89 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.15 3mr1 h ASN 38 CO 0.05 0.39 0.24 0.28 -1.65 0.00 0.00 177.43 176.74 3mr1 h SER 39 N 0.82 1.02 -0.59 5.81 0.02 -1.76 -2.13 113.55 116.74 3mr1 h SER 39 Ca 0.42 -0.20 -0.10 0.00 -0.84 0.00 0.00 61.79 61.07 3mr1 h SER 39 Cb 0.40 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3mr1 h SER 39 CO -0.26 0.95 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.31 3mr1 h LEU 40 N 1.04 1.03 -0.30 5.07 3.38 -1.33 -1.85 115.31 122.35 3mr1 h LEU 40 Ca 0.23 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.94 3mr1 h LEU 40 Cb 0.28 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3mr1 h LEU 40 CO -0.01 1.09 0.04 -1.13 0.09 0.00 0.00 178.44 178.51 3mr1 h ASN 41 N 0.95 -0.04 -0.65 -0.43 -1.24 -0.74 -1.54 115.58 111.89 3mr1 h ASN 41 Ca 0.17 0.06 -0.08 0.00 0.71 0.00 0.00 56.30 57.15 3mr1 h ASN 41 Cb 0.56 0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.67 3mr1 h ASN 41 CO 0.03 0.02 0.09 0.44 -1.29 0.00 0.00 177.43 176.71 3mr1 h ASP 42 N 0.14 1.06 -0.35 1.15 3.32 -1.19 0.14 116.42 120.69 3mr1 h ASP 42 Ca 0.14 -0.27 0.05 0.00 0.02 0.00 0.00 57.03 56.98 3mr1 h ASP 42 Cb 0.17 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 3mr1 h ASP 42 CO -0.21 1.06 0.06 -0.07 -1.72 0.00 0.00 179.24 178.36 3mr1 h LEU 43 N 1.01 -0.02 -0.16 1.55 3.38 -1.15 -1.50 115.31 118.42 3mr1 h LEU 43 Ca 0.20 0.06 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 3mr1 h LEU 43 Cb 0.46 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.31 3mr1 h LEU 43 CO 0.02 0.03 -0.63 0.00 0.09 0.00 0.00 178.44 177.95 3mr1 h HIS 45 N 0.40 -1.06 -0.11 0.00 -0.00 -0.62 -0.23 115.15 113.54 3mr1 h HIS 45 Ca -0.03 0.05 -0.09 0.00 -0.00 0.00 0.00 60.37 60.29 3mr1 h HIS 45 Cb 1.26 0.49 -0.01 0.00 -0.00 0.00 0.00 27.41 29.15 3mr1 h HIS 45 CO 0.09 -0.43 -0.33 -0.91 -0.00 0.00 0.00 177.93 176.35 3mr1 h ASN 46 N -0.41 0.23 0.21 3.26 -0.26 -1.26 -1.44 115.58 115.91 3mr1 h ASN 46 Ca 0.10 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 3mr1 h ASN 46 Cb 0.58 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.77 3mr1 h ASN 46 CO -0.42 0.56 -0.20 0.15 -1.06 0.00 0.00 177.43 176.46 3mr1 h PHE 47 N 0.20 -0.52 0.10 1.19 3.57 -0.97 -1.72 116.94 118.78 3mr1 h PHE 47 Ca 0.03 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3mr1 h PHE 47 Cb 0.69 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.63 3mr1 h PHE 47 CO 0.01 -0.30 -0.05 0.82 -2.23 0.00 0.00 178.31 176.57 3mr1 h ILE 48 N -0.44 0.91 -0.09 1.41 2.04 -0.76 -2.97 117.51 117.62 3mr1 h ILE 48 Ca -0.00 -0.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.74 3mr1 h ILE 48 Cb 0.40 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3mr1 h ILE 48 CO -0.04 0.01 -0.34 0.71 0.00 0.00 0.00 178.15 178.48 3mr1 h THR 49 N -0.14 1.27 0.00 -0.27 1.35 -1.28 -0.96 112.91 112.88 3mr1 h THR 49 Ca -0.01 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 3mr1 h THR 49 Cb 0.11 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3mr1 h THR 49 CO 0.02 0.39 0.00 -1.54 -0.25 0.00 0.00 175.52 174.14 3mr1 n SER 50 N -4.09 0.00 -1.60 5.36 3.41 -0.65 -2.06 113.62 113.98 3mr1 n SER 50 Ca -0.01 -0.02 -0.04 0.00 -0.26 0.00 0.00 58.87 58.53 3mr1 n SER 50 Cb 0.42 -0.28 0.26 0.00 -0.26 0.00 0.00 64.21 64.34 3mr1 n SER 50 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3mr1 n HIS 51 N -1.28 1.89 -2.42 7.33 -0.00 -0.38 -4.94 115.22 115.42 3mr1 n HIS 51 Ca 0.10 -1.30 -0.18 0.00 -0.00 0.00 0.00 57.72 56.34 3mr1 n HIS 51 Cb 0.16 -0.59 -0.00 0.00 -0.00 0.00 0.00 29.99 29.56 3mr1 n HIS 51 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 3mr1 n ASN 52 N -0.56 -5.24 -4.41 0.41 5.15 -0.88 -4.99 115.26 104.74 3mr1 n ASN 52 Ca 0.37 -0.05 -0.20 0.00 -0.60 0.00 0.00 54.58 54.10 3mr1 n ASN 52 Cb 1.24 -4.28 -0.10 0.00 -0.53 0.00 0.00 39.78 36.10 3mr1 n ASN 52 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mr1 s ALA 53 N -2.92 2.23 -0.07 5.20 0.00 -1.10 -4.70 121.76 120.39 3mr1 s ALA 53 Ca 0.04 -1.93 0.03 0.00 0.00 0.00 0.00 51.96 50.10 3mr1 s ALA 53 Cb -0.02 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 3mr1 s ALA 53 CO 0.05 -0.21 -0.17 0.42 0.00 0.00 0.00 175.76 175.84 3mr1 s ILE 54 N -3.22 2.75 -0.45 0.00 -1.09 -0.53 -3.80 121.20 114.86 3mr1 s ILE 54 Ca 0.32 -0.81 -0.29 0.00 -2.23 0.00 0.00 60.65 57.64 3mr1 s ILE 54 Cb 0.06 -2.08 0.01 0.00 -1.58 0.00 0.00 42.46 38.88 3mr1 s ILE 54 CO 0.13 0.57 1.36 -2.16 -1.23 0.00 0.00 174.94 173.61 3mr1 s PRO 55 N -0.27 3.55 0.47 2.79 0.04 -1.26 -0.21 135.00 140.11 3mr1 s PRO 55 Ca 0.01 0.78 0.15 0.00 0.04 0.00 0.00 61.00 61.98 3mr1 s PRO 55 Cb -0.13 -4.02 1.13 0.00 0.04 0.00 0.00 34.50 31.52 3mr1 s PRO 55 CO 0.03 -1.60 2.06 0.00 0.04 0.00 0.00 177.00 177.52 3mr1 h ALA 56 N 10.51 2.02 0.00 8.56 0.00 -1.48 -2.40 119.26 136.47 3mr1 h ALA 56 Ca -0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3mr1 h ALA 56 Cb 1.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3mr1 h ALA 56 CO 1.11 -0.08 -0.09 -1.35 0.00 0.00 0.00 179.25 178.84 3mr1 h PRO 57 N 0.24 0.00 -6.20 0.00 0.11 -1.77 -3.38 132.00 120.99 3mr1 h PRO 57 Ca 0.15 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.69 3mr1 h PRO 57 Cb 0.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 3mr1 h PRO 57 CO -0.03 0.09 1.29 -1.17 -0.21 0.00 0.00 178.00 177.97 3mr1 s LEU 58 N -6.47 3.84 -0.89 2.35 2.96 -0.91 -1.37 118.68 118.19 3mr1 s LEU 58 Ca 0.01 1.93 0.00 0.00 -0.22 0.00 0.00 54.13 55.84 3mr1 s LEU 58 Cb 0.10 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.26 3mr1 s LEU 58 CO 0.58 -1.48 0.00 -3.20 -1.32 0.00 0.00 176.35 170.92 3mr1 n ASN 59 N 9.48 -5.17 -4.62 3.68 5.15 0.12 -4.96 115.26 118.93 3mr1 n ASN 59 Ca 0.23 0.21 -0.43 0.00 -0.60 0.00 0.00 54.58 53.99 3mr1 n ASN 59 Cb 0.44 -3.41 -0.03 0.00 -0.53 0.00 0.00 39.78 36.26 3mr1 n ASN 59 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3mr1 s TYR 60 N -1.92 1.94 -1.38 1.20 5.04 -0.47 -2.59 117.35 119.17 3mr1 s TYR 60 Ca 0.00 0.51 -0.13 0.00 -2.44 0.00 0.00 57.07 55.01 3mr1 s TYR 60 Cb 0.00 -4.03 0.10 0.00 0.35 0.00 0.00 41.96 38.38 3mr1 s TYR 60 CO 0.00 -3.14 0.57 1.63 -1.34 0.00 0.00 175.55 173.27 3mr1 n LYS 61 N 7.91 -3.19 -0.58 4.97 5.02 -1.26 -1.13 118.16 129.89 3mr1 n LYS 61 Ca 0.20 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 3mr1 n LYS 61 Cb 0.45 -5.10 0.00 0.00 -0.02 0.00 0.00 35.03 30.36 3mr1 n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mr1 n GLY 62 N -1.20 1.26 3.67 0.72 0.00 -1.07 -5.02 105.19 103.55 3mr1 n GLY 62 Ca 0.02 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.53 3mr1 n GLY 62 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3mr1 n PHE 63 N -2.00 2.02 1.76 1.61 -0.00 -0.29 -4.71 117.46 115.86 3mr1 n PHE 63 Ca 0.00 0.38 0.12 0.00 -0.00 0.00 0.00 57.45 57.95 3mr1 n PHE 63 Cb 0.00 -2.49 0.61 0.00 -0.00 0.00 0.00 39.48 37.60 3mr1 n PHE 63 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3mr1 n PRO 64 N 4.60 1.26 -4.38 -7.13 -0.04 -1.26 0.10 135.00 128.14 3mr1 n PRO 64 Ca 0.22 -0.38 -0.22 0.00 -0.04 0.00 0.00 63.50 63.08 3mr1 n PRO 64 Cb 0.21 -1.39 -0.08 0.00 -0.04 0.00 0.00 33.50 32.20 3mr1 n PRO 64 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3mr1 s LYS 65 N -1.95 1.81 0.00 0.54 -0.14 -1.26 -4.88 119.74 113.85 3mr1 s LYS 65 Ca 0.35 -2.07 0.22 0.00 -1.36 0.00 0.00 55.97 53.11 3mr1 s LYS 65 Cb 0.17 -0.08 -0.23 0.00 -1.68 0.00 0.00 37.83 36.01 3mr1 s LYS 65 CO 0.28 -0.56 0.72 0.43 -0.76 0.00 0.00 175.35 175.46 3mr1 n SER 66 N -1.38 0.43 -4.06 2.83 7.64 -1.26 -2.50 113.62 115.32 3mr1 n SER 66 Ca 0.01 -0.31 -0.08 0.00 1.01 0.00 0.00 58.87 59.50 3mr1 n SER 66 Cb 0.64 1.44 -0.09 0.00 -1.01 0.00 0.00 64.21 65.18 3mr1 n SER 66 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3mr1 s ILE 67 N -3.31 0.16 -0.14 0.44 -4.36 -1.26 -4.39 121.20 108.33 3mr1 s ILE 67 Ca -0.01 -1.71 -0.08 0.00 -0.26 0.00 0.00 60.65 58.59 3mr1 s ILE 67 Cb 0.14 -1.70 -0.04 0.00 1.25 0.00 0.00 42.46 42.12 3mr1 s ILE 67 CO 0.87 -0.71 0.13 0.00 0.24 0.00 0.00 174.94 175.48 3mr1 s THR 69 N -0.60 1.00 -0.29 0.00 -4.23 -0.48 -1.58 115.64 109.46 3mr1 s THR 69 Ca 0.13 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 3mr1 s THR 69 Cb -0.12 -1.19 0.06 0.00 1.34 0.00 0.00 72.50 72.59 3mr1 s THR 69 CO 0.02 0.13 -0.04 -0.44 -0.54 0.00 0.00 174.62 173.75 3mr1 s SER 70 N 1.68 4.71 -0.15 3.99 0.01 -0.16 -3.91 113.70 119.87 3mr1 s SER 70 Ca 0.01 -1.36 -0.12 0.00 1.31 0.00 0.00 55.95 55.79 3mr1 s SER 70 Cb -0.15 -1.65 -0.05 0.00 0.21 0.00 0.00 66.02 64.39 3mr1 s SER 70 CO -0.08 -0.24 0.24 -0.63 0.41 0.00 0.00 173.24 172.95 3mr1 s ILE 71 N 1.18 5.34 0.00 1.44 1.01 -1.26 -1.04 121.20 127.86 3mr1 s ILE 71 Ca -0.06 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.03 3mr1 s ILE 71 Cb -0.20 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.70 3mr1 s ILE 71 CO -0.03 0.44 0.00 0.59 0.00 0.00 0.00 174.94 175.95 3mr1 n ASN 72 N 3.23 0.00 -0.06 3.58 3.02 0.15 -1.30 115.26 123.88 3mr1 n ASN 72 Ca -0.14 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.55 3mr1 n ASN 72 Cb 0.52 0.00 0.70 0.00 -0.61 0.00 0.00 39.78 40.39 3mr1 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mr1 n HIS 73 N 0.00 0.00 -2.10 3.10 1.44 -1.26 -2.15 115.22 114.25 3mr1 n HIS 73 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 3mr1 n HIS 73 Cb 0.00 -0.22 -0.03 0.00 0.12 0.00 0.00 29.99 29.87 3mr1 n HIS 73 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3mr1 s VAL 74 N -2.49 3.44 -0.10 0.61 1.01 -0.42 -1.65 120.40 120.80 3mr1 s VAL 74 Ca 0.30 0.85 -0.19 0.00 0.00 0.00 0.00 61.98 62.93 3mr1 s VAL 74 Cb 0.20 -3.54 -0.28 0.00 0.00 0.00 0.00 36.38 32.76 3mr1 s VAL 74 CO 0.46 -0.00 0.65 0.58 0.00 0.00 0.00 175.10 176.79 3mr1 h VAL 75 N 4.88 1.24 -2.17 2.92 2.07 -0.37 -3.40 116.25 121.41 3mr1 h VAL 75 Ca -0.40 -2.42 0.17 0.00 0.82 0.00 0.00 66.70 64.88 3mr1 h VAL 75 Cb 1.19 2.88 -0.12 0.00 -1.52 0.00 0.00 31.29 33.73 3mr1 h VAL 75 CO 0.91 0.67 0.55 0.00 0.02 0.00 0.00 177.57 179.72 3mr1 n HIS 77 N -0.37 -0.82 -1.74 0.00 8.25 -1.26 -2.43 115.22 116.86 3mr1 n HIS 77 Ca -0.07 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.00 3mr1 n HIS 77 Cb 0.61 -3.26 0.03 0.00 1.12 0.00 0.00 29.99 28.50 3mr1 n HIS 77 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mr1 n GLY 78 N -0.69 0.75 3.63 -1.41 0.00 -1.25 -3.98 105.19 102.24 3mr1 n GLY 78 Ca -0.19 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3mr1 n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mr1 s ILE 79 N -1.26 5.09 0.22 -0.61 1.01 -1.26 -1.39 121.20 123.00 3mr1 s ILE 79 Ca 0.67 0.08 -0.29 0.00 0.00 0.00 0.00 60.65 61.11 3mr1 s ILE 79 Cb -0.44 -3.35 -0.16 0.00 0.01 0.00 0.00 42.46 38.52 3mr1 s ILE 79 CO 0.53 0.37 0.83 -2.65 0.00 0.00 0.00 174.94 174.02 3mr1 n PRO 80 N 4.19 0.68 -2.01 2.79 -0.02 -1.26 -4.87 135.00 134.48 3mr1 n PRO 80 Ca -0.16 0.24 -0.03 0.00 -2.02 0.00 0.00 63.50 61.53 3mr1 n PRO 80 Cb 0.52 -1.48 -0.00 0.00 -0.02 0.00 0.00 33.50 32.52 3mr1 n PRO 80 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3mr1 n ASN 81 N 1.68 -0.41 -0.84 2.55 0.23 -1.26 -4.75 115.26 112.47 3mr1 n ASN 81 Ca 0.14 -1.45 0.10 0.00 -0.53 0.00 0.00 54.58 52.84 3mr1 n ASN 81 Cb 0.27 0.73 0.27 0.00 -2.08 0.00 0.00 39.78 38.96 3mr1 n ASN 81 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3mr1 n ASP 82 N -1.73 2.47 -4.73 0.53 5.75 -1.26 -1.52 116.55 116.05 3mr1 n ASP 82 Ca -0.01 -1.90 -0.41 0.00 -0.01 0.00 0.00 54.79 52.46 3mr1 n ASP 82 Cb 0.15 -0.23 -0.04 0.00 -1.03 0.00 0.00 41.12 39.97 3mr1 n ASP 82 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3mr1 s LYS 83 N -1.53 4.54 0.29 0.11 1.02 -1.26 -4.90 119.74 118.01 3mr1 s LYS 83 Ca 0.34 1.68 -0.29 0.00 0.02 0.00 0.00 55.97 57.72 3mr1 s LYS 83 Cb 0.18 -3.33 -0.10 0.00 -0.52 0.00 0.00 37.83 34.07 3mr1 s LYS 83 CO 0.26 -0.05 1.13 -1.25 -0.92 0.00 0.00 175.35 174.52 3mr1 s PRO 84 N 0.31 4.59 0.47 -1.68 0.04 -1.26 -4.10 135.00 133.38 3mr1 s PRO 84 Ca 0.53 1.87 -0.22 0.00 0.04 0.00 0.00 61.00 63.21 3mr1 s PRO 84 Cb -0.28 -3.17 -0.07 0.00 0.04 0.00 0.00 34.50 31.02 3mr1 s PRO 84 CO 0.32 0.15 1.17 -0.51 0.04 0.00 0.00 177.00 178.17 3mr1 s LEU 85 N -1.51 3.97 0.06 -3.56 1.43 -0.10 -4.83 118.68 114.14 3mr1 s LEU 85 Ca 0.45 2.31 0.06 0.00 -1.03 0.00 0.00 54.13 55.92 3mr1 s LEU 85 Cb -0.33 -4.28 -0.04 0.00 0.03 0.00 0.00 46.19 41.57 3mr1 s LEU 85 CO 0.43 -0.98 -0.12 -0.54 0.23 0.00 0.00 176.35 175.36 3mr1 s LYS 86 N -2.78 2.21 -0.06 1.70 1.02 -1.26 -0.28 119.74 120.30 3mr1 s LYS 86 Ca 0.65 -0.93 -0.38 0.00 0.02 0.00 0.00 55.97 55.33 3mr1 s LYS 86 Cb -0.29 -2.31 -0.16 0.00 -0.52 0.00 0.00 37.83 34.55 3mr1 s LYS 86 CO 0.34 0.54 1.54 -1.71 -0.92 0.00 0.00 175.35 175.14 3mr1 n ASN 87 N 1.21 2.11 0.00 2.83 5.15 -1.26 -1.60 115.26 123.70 3mr1 n ASN 87 Ca -0.15 1.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.92 3mr1 n ASN 87 Cb 0.52 -1.20 0.00 0.00 -0.53 0.00 0.00 39.78 38.58 3mr1 n ASN 87 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3mr1 n GLY 88 N 3.31 1.50 3.75 8.20 0.00 0.63 -4.91 105.19 117.66 3mr1 n GLY 88 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3mr1 n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mr1 s ASP 89 N -1.60 4.85 -0.03 1.61 1.01 -0.63 -4.70 116.67 117.19 3mr1 s ASP 89 Ca 0.00 2.26 0.07 0.00 0.71 0.00 0.00 52.55 55.59 3mr1 s ASP 89 Cb 0.00 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 3mr1 s ASP 89 CO 0.00 -1.81 -0.24 0.27 0.21 0.00 0.00 175.17 173.60 3mr1 s ILE 90 N -1.94 1.91 -0.02 0.77 -4.36 -1.26 -1.60 121.20 114.69 3mr1 s ILE 90 Ca 0.73 -1.03 0.01 0.00 -0.26 0.00 0.00 60.65 60.11 3mr1 s ILE 90 Cb -0.27 -1.59 0.01 0.00 1.25 0.00 0.00 42.46 41.86 3mr1 s ILE 90 CO 0.39 0.54 -0.04 0.54 0.24 0.00 0.00 174.94 176.61 3mr1 s VAL 91 N -0.48 0.43 -0.12 8.37 0.11 -0.81 -0.68 120.40 127.23 3mr1 s VAL 91 Ca 0.07 -0.14 -0.16 0.00 -2.93 0.00 0.00 61.98 58.81 3mr1 s VAL 91 Cb -0.10 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 3mr1 s VAL 91 CO -0.00 0.16 0.41 0.21 -3.33 0.00 0.00 175.10 172.55 3mr1 s ASN 92 N 0.43 6.61 -0.19 3.54 3.84 -0.21 -0.01 114.94 128.95 3mr1 s ASN 92 Ca -0.05 0.72 -0.02 0.00 0.21 0.00 0.00 52.86 53.72 3mr1 s ASN 92 Cb -0.09 -2.25 -0.01 0.00 -0.55 0.00 0.00 41.25 38.36 3mr1 s ASN 92 CO -0.00 0.06 -0.09 -0.63 -2.79 0.00 0.00 177.10 173.64 3mr1 s ILE 93 N 0.43 3.05 -0.20 -5.21 1.01 -0.78 -0.99 121.20 118.51 3mr1 s ILE 93 Ca 0.23 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.26 3mr1 s ILE 93 Cb -0.14 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 40.00 3mr1 s ILE 93 CO 0.08 0.47 -0.14 -0.62 0.00 0.00 0.00 174.94 174.73 3mr1 s ASP 94 N 1.13 3.63 -0.01 3.58 2.15 -0.62 -2.10 116.67 124.43 3mr1 s ASP 94 Ca 0.01 -0.72 0.05 0.00 0.43 0.00 0.00 52.55 52.32 3mr1 s ASP 94 Cb -0.14 -1.56 -0.03 0.00 -0.30 0.00 0.00 42.92 40.89 3mr1 s ASP 94 CO -0.03 -0.04 -0.15 -0.69 -0.17 0.00 0.00 175.17 174.09 3mr1 s VAL 95 N 1.31 2.98 -0.06 1.11 1.01 -0.22 -2.35 120.40 124.18 3mr1 s VAL 95 Ca 0.03 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 3mr1 s VAL 95 Cb -0.14 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.05 3mr1 s VAL 95 CO -0.09 0.48 -0.03 -0.89 0.00 0.00 0.00 175.10 174.57 3mr1 s THR 96 N -0.82 0.51 0.05 3.92 2.01 -1.26 -1.81 115.64 118.24 3mr1 s THR 96 Ca 0.13 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.13 3mr1 s THR 96 Cb -0.11 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 3mr1 s THR 96 CO 0.03 0.25 0.06 0.68 -0.69 0.00 0.00 174.62 174.95 3mr1 s VAL 97 N 1.45 4.48 -0.26 3.82 -7.23 -0.26 -1.29 120.40 121.11 3mr1 s VAL 97 Ca -0.03 -0.70 -0.04 0.00 -1.81 0.00 0.00 61.98 59.40 3mr1 s VAL 97 Cb -0.13 -3.12 0.01 0.00 0.56 0.00 0.00 36.38 33.70 3mr1 s VAL 97 CO -0.03 0.20 0.00 -0.63 -0.31 0.00 0.00 175.10 174.33 3mr1 s ILE 98 N -1.31 3.45 -0.18 -0.62 1.01 0.70 -1.35 121.20 122.91 3mr1 s ILE 98 Ca 0.27 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.18 3mr1 s ILE 98 Cb -0.12 -2.72 0.04 0.00 0.01 0.00 0.00 42.46 39.67 3mr1 s ILE 98 CO 0.19 0.21 -0.10 -0.22 0.00 0.00 0.00 174.94 175.02 3mr1 s LEU 99 N 1.44 2.03 -1.45 2.97 2.96 0.20 -1.45 118.68 125.37 3mr1 s LEU 99 Ca 0.03 -0.77 -0.11 0.00 -0.22 0.00 0.00 54.13 53.06 3mr1 s LEU 99 Cb -0.16 -1.15 0.07 0.00 0.50 0.00 0.00 46.19 45.45 3mr1 s LEU 99 CO -0.01 -0.14 0.75 -0.67 -1.32 0.00 0.00 176.35 174.95 3mr1 n ASP 100 N 4.74 -4.73 0.00 3.68 2.03 -1.26 -2.26 116.55 118.75 3mr1 n ASP 100 Ca -0.14 -0.55 0.00 0.00 0.52 0.00 0.00 54.79 54.62 3mr1 n ASP 100 Cb 0.47 -3.82 0.00 0.00 -0.72 0.00 0.00 41.12 37.05 3mr1 n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3mr1 n GLY 101 N -1.49 0.89 3.36 0.27 0.00 -1.26 -5.03 105.19 101.92 3mr1 n GLY 101 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3mr1 n GLY 101 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mr1 s TRP 102 N -3.01 2.44 -0.18 1.61 0.52 -0.96 -4.39 118.94 114.96 3mr1 s TRP 102 Ca 0.00 -0.36 -0.12 0.00 0.02 0.00 0.00 56.10 55.64 3mr1 s TRP 102 Cb 0.00 -1.54 -0.05 0.00 -1.15 0.00 0.00 33.47 30.74 3mr1 s TRP 102 CO 0.00 0.03 0.23 0.71 0.02 0.00 0.00 176.95 177.94 3mr1 s TYR 103 N -0.65 3.43 -0.16 -1.98 1.51 -0.57 -0.62 117.35 118.30 3mr1 s TYR 103 Ca 0.10 0.47 0.01 0.00 -1.01 0.00 0.00 57.07 56.64 3mr1 s TYR 103 Cb -0.10 -2.27 0.01 0.00 -0.11 0.00 0.00 41.96 39.48 3mr1 s TYR 103 CO -0.00 0.24 -0.18 0.20 -1.11 0.00 0.00 175.55 174.69 3mr1 s GLY 104 N 0.48 1.42 -0.13 0.71 0.00 -0.46 -4.67 107.32 104.68 3mr1 s GLY 104 Ca 0.13 -1.13 -0.00 0.00 0.00 0.00 0.00 44.72 43.72 3mr1 s GLY 104 CO 0.02 0.12 -0.10 -0.35 0.00 0.00 0.00 173.10 172.79 3mr1 s ASP 105 N 1.02 2.38 -0.10 1.64 -1.08 -1.26 -1.10 116.67 118.16 3mr1 s ASP 105 Ca -0.02 -0.38 -0.24 0.00 -0.52 0.00 0.00 52.55 51.40 3mr1 s ASP 105 Cb -0.15 -0.98 0.06 0.00 -1.46 0.00 0.00 42.92 40.39 3mr1 s ASP 105 CO -0.05 -0.09 0.57 0.28 0.52 0.00 0.00 175.17 176.40 3mr1 s THR 106 N 1.60 0.01 0.04 1.71 -1.32 -0.75 -2.70 115.64 114.22 3mr1 s THR 106 Ca 0.05 -0.10 -0.01 0.00 -1.21 0.00 0.00 61.69 60.41 3mr1 s THR 106 Cb -0.13 -0.86 -0.03 0.00 -1.51 0.00 0.00 72.50 69.97 3mr1 s THR 106 CO -0.09 -0.06 -0.01 -0.94 -2.21 0.00 0.00 174.62 171.31 3mr1 s SER 107 N -0.72 0.34 0.07 8.08 1.04 -0.97 -1.06 113.70 120.48 3mr1 s SER 107 Ca -0.08 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.64 3mr1 s SER 107 Cb -0.03 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 3mr1 s SER 107 CO 0.06 -0.45 -0.05 -0.13 0.98 0.00 0.00 173.24 173.65 3mr1 s ARG 108 N -2.65 0.71 0.14 4.02 0.52 -0.89 -1.93 118.95 118.86 3mr1 s ARG 108 Ca -0.05 -1.27 -0.17 0.00 -0.52 0.00 0.00 55.73 53.72 3mr1 s ARG 108 Cb -0.01 0.03 -0.07 0.00 0.52 0.00 0.00 34.95 35.42 3mr1 s ARG 108 CO -0.05 -0.07 0.60 -1.64 0.02 0.00 0.00 175.30 174.16 3mr1 s MET 109 N -3.88 4.13 0.02 3.54 -1.94 -1.26 -1.87 119.30 118.04 3mr1 s MET 109 Ca 0.09 0.67 0.06 0.00 -1.71 0.00 0.00 55.69 54.80 3mr1 s MET 109 Cb 0.07 -3.03 -0.02 0.00 2.01 0.00 0.00 34.83 33.86 3mr1 s MET 109 CO -0.08 0.52 -0.17 0.71 -0.01 0.00 0.00 175.02 175.99 3mr1 s TYR 110 N -1.35 1.46 0.09 -0.03 2.02 0.98 -4.99 117.35 115.53 3mr1 s TYR 110 Ca 0.36 -0.33 -0.21 0.00 -0.37 0.00 0.00 57.07 56.52 3mr1 s TYR 110 Cb -0.17 -0.89 -0.07 0.00 -0.40 0.00 0.00 41.96 40.43 3mr1 s TYR 110 CO 0.20 0.03 0.63 0.71 -1.57 0.00 0.00 175.55 175.55 3mr1 s TYR 111 N -0.68 3.82 -0.34 2.71 2.02 -1.26 -1.92 117.35 121.69 3mr1 s TYR 111 Ca 0.05 1.37 -0.09 0.00 -0.37 0.00 0.00 57.07 58.03 3mr1 s TYR 111 Cb -0.08 -2.59 0.03 0.00 -0.40 0.00 0.00 41.96 38.92 3mr1 s TYR 111 CO 0.01 0.54 0.15 0.08 -1.57 0.00 0.00 175.55 174.75 3mr1 s VAL 112 N -0.99 4.21 0.00 0.71 1.01 -0.63 -4.80 120.40 119.92 3mr1 s VAL 112 Ca 0.31 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3mr1 s VAL 112 Cb -0.20 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.86 3mr1 s VAL 112 CO 0.21 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.77 3mr1 n GLY 113 N 4.91 2.59 3.62 4.51 0.00 -1.26 -0.27 105.19 119.30 3mr1 n GLY 113 Ca -0.13 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 3mr1 n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mr1 s ASP 114 N -4.00 6.27 -0.03 1.61 1.01 -1.26 -4.78 116.67 115.49 3mr1 s ASP 114 Ca 0.00 0.31 -0.00 0.00 0.71 0.00 0.00 52.55 53.57 3mr1 s ASP 114 Cb 0.00 -2.20 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 3mr1 s ASP 114 CO 0.00 -0.13 0.04 -0.69 0.21 0.00 0.00 175.17 174.61 3mr1 s VAL 115 N 1.78 4.51 0.91 -1.27 1.01 -1.26 -3.01 120.40 123.07 3mr1 s VAL 115 Ca 0.15 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 3mr1 s VAL 115 Cb -0.15 -3.01 0.14 0.00 0.00 0.00 0.00 36.38 33.36 3mr1 s VAL 115 CO 0.09 0.42 1.16 0.00 0.00 0.00 0.00 175.10 176.78 3mr1 s ALA 116 N -1.09 1.96 0.11 5.51 0.00 -1.26 -4.88 121.76 122.11 3mr1 s ALA 116 Ca 0.19 -0.64 -0.17 0.00 0.00 0.00 0.00 51.96 51.34 3mr1 s ALA 116 Cb -0.12 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 3mr1 s ALA 116 CO 0.10 -2.23 1.64 0.97 0.00 0.00 0.00 175.76 176.24 3mr1 h ILE 117 N -1.47 1.20 0.16 0.00 6.09 -1.99 -2.54 117.51 118.95 3mr1 h ILE 117 Ca -0.49 -0.62 0.01 0.00 -1.37 0.00 0.00 64.86 62.39 3mr1 h ILE 117 Cb 1.32 1.00 -0.02 0.00 0.47 0.00 0.00 36.82 39.60 3mr1 h ILE 117 CO 0.59 0.21 -0.18 0.11 -3.07 0.00 0.00 178.15 175.82 3mr1 h LYS 118 N 0.37 -0.36 -0.85 2.19 1.57 -2.00 0.24 116.57 117.72 3mr1 h LYS 118 Ca 0.10 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.04 3mr1 h LYS 118 Cb 0.22 0.08 -0.09 0.00 0.08 0.00 0.00 32.23 32.53 3mr1 h LYS 118 CO -0.01 -0.24 0.46 -1.35 -0.57 0.00 0.00 179.45 177.75 3mr1 h PRO 119 N -0.37 0.68 -0.74 3.15 0.11 -1.96 -1.90 132.00 130.97 3mr1 h PRO 119 Ca 0.01 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.10 3mr1 h PRO 119 Cb 0.36 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.28 3mr1 h PRO 119 CO -0.06 0.45 0.48 0.87 -0.21 0.00 0.00 178.00 179.53 3mr1 h LYS 120 N 0.70 0.93 -0.57 1.05 1.57 -0.87 -2.04 116.57 117.34 3mr1 h LYS 120 Ca 0.45 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 59.07 3mr1 h LYS 120 Cb 0.56 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3mr1 h LYS 120 CO -0.32 0.62 -0.02 0.00 -0.57 0.00 0.00 179.45 179.15 3mr1 h ARG 121 N 0.96 1.02 -0.14 3.15 2.47 -0.45 -2.17 114.38 119.22 3mr1 h ARG 121 Ca 0.28 -0.34 0.04 0.00 -1.26 0.00 0.00 59.98 58.71 3mr1 h ARG 121 Cb -0.05 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.14 3mr1 h ARG 121 CO -0.08 1.02 -0.10 1.25 0.56 0.00 0.00 179.97 182.61 3mr1 h LEU 122 N 0.91 -0.33 -0.95 3.04 5.85 -1.19 -1.85 115.31 120.78 3mr1 h LEU 122 Ca 0.16 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.97 3mr1 h LEU 122 Cb 0.58 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 3mr1 h LEU 122 CO 0.03 -0.14 0.63 0.40 -0.34 0.00 0.00 178.44 179.02 3mr1 h ILE 123 N -0.12 1.20 -0.23 4.05 2.04 -1.27 -1.33 117.51 121.85 3mr1 h ILE 123 Ca 0.09 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 3mr1 h ILE 123 Cb 0.24 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 3mr1 h ILE 123 CO -0.21 0.23 0.03 -0.61 0.00 0.00 0.00 178.15 177.59 3mr1 h GLN 124 N 1.24 0.39 -0.42 2.37 5.75 -1.09 -1.42 115.11 121.94 3mr1 h GLN 124 Ca 0.36 -0.11 -0.06 0.00 -0.15 0.00 0.00 58.65 58.70 3mr1 h GLN 124 Cb -0.07 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 3mr1 h GLN 124 CO -0.10 0.54 0.01 0.28 -2.65 0.00 0.00 178.83 176.91 3mr1 h VAL 125 N 0.19 1.22 -0.14 2.39 2.07 -1.24 -1.63 116.25 119.11 3mr1 h VAL 125 Ca 0.07 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 3mr1 h VAL 125 Cb 0.34 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3mr1 h VAL 125 CO 0.01 0.31 0.04 0.74 0.02 0.00 0.00 177.57 178.68 3mr1 h THR 126 N 0.63 1.19 -0.27 2.57 2.02 -0.99 0.12 112.91 118.17 3mr1 h THR 126 Ca 0.13 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.75 3mr1 h THR 126 Cb 0.38 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 3mr1 h THR 126 CO 0.01 0.17 0.11 0.22 0.37 0.00 0.00 175.52 176.41 3mr1 h TYR 127 N 0.03 0.21 -0.39 3.16 3.20 -1.06 -1.46 116.97 120.67 3mr1 h TYR 127 Ca 0.04 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 3mr1 h TYR 127 Cb 0.23 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 3mr1 h TYR 127 CO 0.00 0.11 -0.09 -0.44 -1.64 0.00 0.00 178.16 176.10 3mr1 h ASP 128 N 0.25 0.65 -0.34 -2.11 3.32 -1.18 -1.92 116.42 115.08 3mr1 h ASP 128 Ca 0.11 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3mr1 h ASP 128 Cb 0.06 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3mr1 h ASP 128 CO -0.10 0.78 0.16 0.00 -1.72 0.00 0.00 179.24 178.36 3mr1 h ALA 129 N 1.29 0.44 -0.44 3.45 0.00 -0.55 -0.85 119.26 122.61 3mr1 h ALA 129 Ca 0.11 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3mr1 h ALA 129 Cb 0.52 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 3mr1 h ALA 129 CO 0.03 0.02 -0.11 1.98 0.00 0.00 0.00 179.25 181.17 3mr1 h MET 130 N 0.41 0.00 -0.42 0.00 1.85 -1.05 -2.23 114.93 113.50 3mr1 h MET 130 Ca 0.12 -0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.15 3mr1 h MET 130 Cb 0.14 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.15 3mr1 h MET 130 CO -0.01 0.00 0.05 0.52 -0.40 0.00 0.00 176.91 177.06 3mr1 h MET 131 N 0.00 0.66 -0.57 0.39 2.07 -1.07 -1.09 114.93 115.32 3mr1 h MET 131 Ca 0.21 -0.14 -0.01 0.00 -2.07 0.00 0.00 59.70 57.69 3mr1 h MET 131 Cb 0.32 -0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 29.93 3mr1 h MET 131 CO -0.45 0.64 0.31 0.87 1.07 0.00 0.00 176.91 179.35 3mr1 h LYS 132 N 0.63 0.80 -0.17 1.72 1.79 -0.72 0.21 116.57 120.83 3mr1 h LYS 132 Ca 0.14 -0.09 0.02 0.00 -2.18 0.00 0.00 60.65 58.54 3mr1 h LYS 132 Cb 0.33 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 3mr1 h LYS 132 CO 0.01 0.61 0.01 0.78 -1.08 0.00 0.00 179.45 179.78 3mr1 h GLY 133 N 0.77 0.17 1.04 3.86 0.00 -0.83 -3.06 103.07 105.01 3mr1 h GLY 133 Ca 0.20 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 3mr1 h GLY 133 CO -0.03 -0.02 0.42 -2.22 0.00 0.00 0.00 176.54 174.69 3mr1 h ILE 134 N 0.07 1.26 0.00 2.60 2.04 -0.99 -2.97 117.51 119.52 3mr1 h ILE 134 Ca 0.08 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3mr1 h ILE 134 Cb 0.09 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 3mr1 h ILE 134 CO -0.12 0.31 0.00 -0.33 0.00 0.00 0.00 178.15 178.01 3mr1 h GLU 135 N 1.23 0.00 0.00 2.37 5.08 -0.86 -1.11 114.58 121.28 3mr1 h GLU 135 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3mr1 h GLU 135 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3mr1 h GLU 135 CO -0.04 0.00 0.00 -0.39 -1.00 0.00 0.00 179.01 177.58 3mr1 h VAL 136 N 0.00 0.00 -2.65 3.13 -1.51 -1.48 -3.46 116.25 110.28 3mr1 h VAL 136 Ca 0.00 -0.58 -0.55 0.00 -1.23 0.00 0.00 66.70 64.34 3mr1 h VAL 136 Cb 0.23 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.95 3mr1 h VAL 136 CO 0.00 0.00 1.07 -0.69 -1.23 0.00 0.00 177.57 176.72 3mr1 s VAL 137 N -3.16 3.66 -0.05 7.19 1.01 -0.42 -4.80 120.40 123.83 3mr1 s VAL 137 Ca 0.09 0.79 -0.29 0.00 0.00 0.00 0.00 61.98 62.57 3mr1 s VAL 137 Cb 0.10 -3.53 0.10 0.00 0.00 0.00 0.00 36.38 33.06 3mr1 s VAL 137 CO 0.60 -0.09 0.87 0.00 0.00 0.00 0.00 175.10 176.48 3mr1 s ARG 138 N 4.05 0.81 0.21 2.72 1.70 -1.26 -3.40 118.95 123.78 3mr1 s ARG 138 Ca 0.71 -0.08 -0.32 0.00 -0.47 0.00 0.00 55.73 55.58 3mr1 s ARG 138 Cb -0.31 0.38 -0.14 0.00 -0.57 0.00 0.00 34.95 34.30 3mr1 s ARG 138 CO 0.28 -0.31 1.35 -2.30 -1.08 0.00 0.00 175.30 173.24 3mr1 n PRO 139 N 0.25 1.75 0.00 3.89 -0.02 -1.26 -1.85 135.00 137.75 3mr1 n PRO 139 Ca -0.11 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3mr1 n PRO 139 Cb 0.60 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3mr1 n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mr1 n GLY 140 N 2.23 3.20 3.72 -1.23 0.00 0.02 -4.99 105.19 108.14 3mr1 n GLY 140 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3mr1 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mr1 s ALA 141 N -2.17 1.67 0.17 4.61 0.00 -0.77 -4.76 121.76 120.50 3mr1 s ALA 141 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.13 3mr1 s ALA 141 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3mr1 s ALA 141 CO 0.00 -2.28 0.05 0.15 0.00 0.00 0.00 175.76 173.68 3mr1 s LYS 142 N -4.87 2.59 0.36 0.00 -0.14 -1.26 -1.32 119.74 115.10 3mr1 s LYS 142 Ca 0.63 -1.01 0.03 0.00 -1.36 0.00 0.00 55.97 54.27 3mr1 s LYS 142 Cb -0.19 -2.47 0.67 0.00 -1.68 0.00 0.00 37.83 34.16 3mr1 s LYS 142 CO 0.57 0.47 2.00 1.25 -0.76 0.00 0.00 175.35 178.88 3mr1 h LEU 143 N 2.64 0.66 -1.50 3.17 5.85 -1.14 -1.39 115.31 123.60 3mr1 h LEU 143 Ca -0.47 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 3mr1 h LEU 143 Cb 1.20 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 3mr1 h LEU 143 CO 0.60 0.50 -0.01 1.23 -0.34 0.00 0.00 178.44 180.42 3mr1 h GLY 144 N 0.80 0.00 1.18 3.75 0.00 -1.37 -2.33 103.07 105.10 3mr1 h GLY 144 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.57 3mr1 h GLY 144 CO -0.04 0.00 0.47 -0.55 0.00 0.00 0.00 176.54 176.42 3mr1 h ASP 145 N 0.00 0.73 0.55 0.19 3.32 -1.45 -1.32 116.42 118.44 3mr1 h ASP 145 Ca -0.00 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3mr1 h ASP 145 Cb 0.50 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.89 3mr1 h ASP 145 CO 0.00 0.50 -0.26 0.40 -1.72 0.00 0.00 179.24 178.16 3mr1 h ILE 146 N 0.85 0.39 -0.82 0.35 2.04 -1.51 -2.31 117.51 116.50 3mr1 h ILE 146 Ca 0.28 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 3mr1 h ILE 146 Cb 0.07 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 3mr1 h ILE 146 CO -0.08 0.04 0.51 1.23 0.00 0.00 0.00 178.15 179.85 3mr1 h GLY 147 N -0.92 1.18 0.99 5.37 0.00 -1.59 -2.27 103.07 105.82 3mr1 h GLY 147 Ca -0.08 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 3mr1 h GLY 147 CO 0.12 0.46 0.29 -1.82 0.00 0.00 0.00 176.54 175.60 3mr1 h TYR 148 N 1.13 0.69 -0.70 5.60 3.20 -1.25 0.06 116.97 125.70 3mr1 h TYR 148 Ca 0.30 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 3mr1 h TYR 148 Cb -0.07 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 37.95 3mr1 h TYR 148 CO 0.00 0.49 0.27 0.00 -1.64 0.00 0.00 178.16 177.28 3mr1 h ALA 149 N 1.13 0.91 0.38 1.82 0.00 -1.08 -0.36 119.26 122.07 3mr1 h ALA 149 Ca 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3mr1 h ALA 149 Cb 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3mr1 h ALA 149 CO -0.03 0.55 -0.18 0.82 0.00 0.00 0.00 179.25 180.40 3mr1 h ILE 150 N 1.01 0.51 -0.30 0.00 2.04 -1.27 -2.42 117.51 117.08 3mr1 h ILE 150 Ca 0.23 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.56 3mr1 h ILE 150 Cb 0.23 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 3mr1 h ILE 150 CO -0.02 0.09 0.01 -0.61 0.00 0.00 0.00 178.15 177.63 3mr1 h GLN 151 N -0.90 0.10 -0.99 2.37 4.15 -0.97 -1.56 115.11 117.32 3mr1 h GLN 151 Ca -0.05 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.38 3mr1 h GLN 151 Cb 0.54 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.16 3mr1 h GLN 151 CO 0.09 0.06 0.65 0.77 -1.93 0.00 0.00 178.83 178.47 3mr1 h SER 152 N 0.10 1.12 -0.18 -0.69 0.02 -1.12 -0.87 113.55 111.94 3mr1 h SER 152 Ca 0.14 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 3mr1 h SER 152 Cb 0.18 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 3mr1 h SER 152 CO -0.23 0.80 -0.22 0.22 -1.14 0.00 0.00 176.83 176.26 3mr1 h TYR 153 N 1.32 0.57 -0.24 3.45 5.03 -1.02 -1.45 116.97 124.61 3mr1 h TYR 153 Ca 0.37 -0.18 -0.03 0.00 2.58 0.00 0.00 58.73 61.47 3mr1 h TYR 153 Cb -0.11 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.04 3mr1 h TYR 153 CO -0.00 0.85 0.04 0.00 -1.32 0.00 0.00 178.16 177.73 3mr1 h ALA 154 N 0.62 0.32 -0.12 1.82 0.00 -1.16 -2.66 119.26 118.07 3mr1 h ALA 154 Ca 0.02 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 3mr1 h ALA 154 Cb 0.78 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3mr1 h ALA 154 CO 0.05 0.00 -0.58 0.93 0.00 0.00 0.00 179.25 179.65 3mr1 h GLU 155 N 0.21 0.40 0.00 0.00 5.08 -1.17 -1.25 114.58 117.85 3mr1 h GLU 155 Ca 0.07 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3mr1 h GLU 155 Cb 0.32 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3mr1 h GLU 155 CO 0.00 0.87 0.00 0.87 -1.00 0.00 0.00 179.01 179.75 3mr1 h LYS 156 N 0.30 0.00 -0.48 2.33 1.57 -1.27 -1.96 116.57 117.06 3mr1 h LYS 156 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mr1 h LYS 156 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3mr1 h LYS 156 CO 0.10 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.70 3mr1 n HIS 157 N -2.54 0.65 -1.45 -1.35 8.25 -1.01 -4.95 115.22 112.82 3mr1 n HIS 157 Ca 0.04 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 3mr1 n HIS 157 Cb 0.38 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.48 3mr1 n HIS 157 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3mr1 n ASN 158 N 0.89 -1.95 -4.68 0.41 4.13 -0.74 -5.06 115.26 108.26 3mr1 n ASN 158 Ca 0.16 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.16 3mr1 n ASN 158 Cb 0.41 -0.48 -0.09 0.00 -1.54 0.00 0.00 39.78 38.08 3mr1 n ASN 158 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3mr1 s TYR 159 N -2.00 2.57 0.20 3.10 2.02 -0.50 -4.96 117.35 117.77 3mr1 s TYR 159 Ca 0.00 -0.60 0.09 0.00 -0.37 0.00 0.00 57.07 56.20 3mr1 s TYR 159 Cb 0.00 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.69 3mr1 s TYR 159 CO 0.00 0.32 -0.09 -1.54 -1.57 0.00 0.00 175.55 172.67 3mr1 s SER 160 N -3.81 4.22 -0.24 2.29 1.04 -0.62 -3.65 113.70 112.94 3mr1 s SER 160 Ca 0.38 -0.63 -0.08 0.00 0.48 0.00 0.00 55.95 56.10 3mr1 s SER 160 Cb 0.05 -0.69 -0.04 0.00 0.10 0.00 0.00 66.02 65.44 3mr1 s SER 160 CO 0.20 0.08 0.10 -0.69 0.98 0.00 0.00 173.24 173.92 3mr1 s VAL 161 N -1.85 4.65 0.16 5.02 1.01 -1.26 -1.22 120.40 126.90 3mr1 s VAL 161 Ca 0.26 -0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.86 3mr1 s VAL 161 Cb -0.08 -3.17 -0.10 0.00 0.00 0.00 0.00 36.38 33.03 3mr1 s VAL 161 CO 0.16 0.34 1.57 -0.69 0.00 0.00 0.00 175.10 176.48 3mr1 s VAL 162 N 1.39 2.67 -0.16 2.92 1.01 -0.77 -4.82 120.40 122.64 3mr1 s VAL 162 Ca 0.06 0.46 0.18 0.00 0.00 0.00 0.00 61.98 62.67 3mr1 s VAL 162 Cb -0.15 -3.29 -0.26 0.00 0.00 0.00 0.00 36.38 32.68 3mr1 s VAL 162 CO 0.05 0.03 0.14 0.54 0.00 0.00 0.00 175.10 175.86 3mr1 n ARG 163 N 4.12 0.77 0.07 2.72 1.74 -1.26 -4.70 116.66 120.12 3mr1 n ARG 163 Ca 0.14 -0.04 0.12 0.00 -0.77 0.00 0.00 57.85 57.30 3mr1 n ARG 163 Cb 0.39 -1.50 0.25 0.00 -1.02 0.00 0.00 32.46 30.57 3mr1 n ARG 163 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3mr1 n ASP 164 N -2.64 0.71 -4.32 0.55 8.00 -1.26 -4.80 116.55 112.79 3mr1 n ASP 164 Ca -0.27 0.23 -0.32 0.00 0.71 0.00 0.00 54.79 55.15 3mr1 n ASP 164 Cb 1.04 -0.10 -0.16 0.00 -0.02 0.00 0.00 41.12 41.88 3mr1 n ASP 164 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3mr1 s TYR 165 N -3.14 2.48 0.23 1.24 1.51 -1.26 -5.14 117.35 113.27 3mr1 s TYR 165 Ca 0.08 -0.54 0.03 0.00 -1.01 0.00 0.00 57.07 55.63 3mr1 s TYR 165 Cb 0.13 -1.59 -0.05 0.00 -0.11 0.00 0.00 41.96 40.34 3mr1 s TYR 165 CO 0.68 -0.10 0.02 0.95 -1.11 0.00 0.00 175.55 176.00 3mr1 s THR 166 N -0.36 0.90 1.05 -0.71 -4.23 -1.26 -4.76 115.64 106.28 3mr1 s THR 166 Ca 0.02 -2.02 -0.18 0.00 -1.18 0.00 0.00 61.69 58.34 3mr1 s THR 166 Cb -0.12 -2.39 0.26 0.00 1.34 0.00 0.00 72.50 71.59 3mr1 s THR 166 CO 0.02 -0.27 0.92 0.61 -0.54 0.00 0.00 174.62 175.36 3mr1 n GLY 167 N -0.41 -2.77 3.52 3.99 0.00 -0.21 -4.85 105.19 104.45 3mr1 n GLY 167 Ca -0.04 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 3mr1 n GLY 167 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3mr1 s HIS 168 N -2.65 -0.46 0.72 1.61 -3.43 -1.24 -1.79 115.29 108.06 3mr1 s HIS 168 Ca 0.60 0.58 -0.16 0.00 -0.80 0.00 0.00 55.06 55.29 3mr1 s HIS 168 Cb -0.06 0.48 0.01 0.00 -1.43 0.00 0.00 32.58 31.58 3mr1 s HIS 168 CO 0.46 -0.54 0.96 0.41 -2.00 0.00 0.00 174.74 174.02 3mr1 n GLY 169 N 0.32 -0.46 3.45 -1.38 0.00 -0.65 -0.37 105.19 106.10 3mr1 n GLY 169 Ca -0.13 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 3mr1 n GLY 169 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3mr1 s ILE 170 N -1.82 0.00 0.00 -0.61 2.07 -1.19 -0.79 121.20 118.86 3mr1 s ILE 170 Ca 0.73 -0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.96 3mr1 s ILE 170 Cb -0.34 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.25 3mr1 s ILE 170 CO 0.50 -0.01 0.00 0.61 -1.91 0.00 0.00 174.94 174.14 3mr1 n GLY 171 N 0.12 -1.37 0.42 1.50 0.00 -1.26 -4.62 105.19 99.98 3mr1 n GLY 171 Ca -0.18 0.61 0.14 0.00 0.00 0.00 0.00 46.02 46.59 3mr1 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mr1 n ARG 172 N 0.00 1.58 -4.50 1.61 1.74 -1.26 -1.52 116.66 114.31 3mr1 n ARG 172 Ca 0.00 -0.85 -0.24 0.00 -0.77 0.00 0.00 57.85 55.99 3mr1 n ARG 172 Cb 0.00 -1.46 -0.14 0.00 -1.02 0.00 0.00 32.46 29.84 3mr1 n ARG 172 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mr1 s VAL 173 N -1.96 1.59 -0.02 1.55 1.01 -1.26 -4.90 120.40 116.40 3mr1 s VAL 173 Ca 0.38 -1.26 -0.22 0.00 0.00 0.00 0.00 61.98 60.88 3mr1 s VAL 173 Cb 0.20 -1.41 -0.14 0.00 0.00 0.00 0.00 36.38 35.04 3mr1 s VAL 173 CO 0.32 0.10 0.96 0.15 0.00 0.00 0.00 175.10 176.64 3mr1 h PHE 174 N 4.67 -0.46 -3.58 5.22 3.04 -1.89 -3.41 116.94 120.53 3mr1 h PHE 174 Ca -0.43 -0.01 -0.64 0.00 3.98 0.00 0.00 57.97 60.87 3mr1 h PHE 174 Cb 1.17 0.15 -0.37 0.00 2.56 0.00 0.00 35.95 39.46 3mr1 h PHE 174 CO 0.54 -0.14 -0.81 -1.01 -2.02 0.00 0.00 178.31 174.87 3mr1 s HIS 175 N -4.01 2.74 0.35 0.41 3.76 -1.26 -4.52 115.29 112.76 3mr1 s HIS 175 Ca -0.12 -1.88 0.03 0.00 -0.15 0.00 0.00 55.06 52.95 3mr1 s HIS 175 Cb 0.01 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.91 3mr1 s HIS 175 CO 0.42 -0.80 0.12 0.34 -0.85 0.00 0.00 174.74 173.97 3mr1 s ASP 176 N 1.29 2.28 0.49 1.40 -1.08 0.03 -4.99 116.67 116.09 3mr1 s ASP 176 Ca -0.04 -1.55 -0.21 0.00 -0.52 0.00 0.00 52.55 50.23 3mr1 s ASP 176 Cb -0.18 0.31 -0.08 0.00 -1.46 0.00 0.00 42.92 41.52 3mr1 s ASP 176 CO -0.07 -0.83 1.07 -1.59 0.52 0.00 0.00 175.17 174.27 3mr1 s LYS 177 N -3.80 3.72 0.43 4.34 -2.85 -1.26 -1.63 119.74 118.68 3mr1 s LYS 177 Ca 0.31 1.47 0.08 0.00 -1.00 0.00 0.00 55.97 56.83 3mr1 s LYS 177 Cb 0.05 -2.14 0.01 0.00 -2.06 0.00 0.00 37.83 33.70 3mr1 s LYS 177 CO 0.15 -0.52 0.57 -1.25 0.10 0.00 0.00 175.35 174.40 3mr1 s PRO 178 N -3.14 2.76 0.20 1.78 0.04 -1.26 -3.78 135.00 131.60 3mr1 s PRO 178 Ca 0.68 -1.30 -0.30 0.00 0.04 0.00 0.00 61.00 60.11 3mr1 s PRO 178 Cb -0.20 -2.71 -0.09 0.00 0.04 0.00 0.00 34.50 31.55 3mr1 s PRO 178 CO 0.23 -0.31 1.28 -1.12 0.04 0.00 0.00 177.00 177.12 3mr1 s SER 179 N -4.35 6.95 -0.59 6.66 0.01 -1.26 -2.04 113.70 119.08 3mr1 s SER 179 Ca 0.55 2.36 -0.06 0.00 1.31 0.00 0.00 55.95 60.10 3mr1 s SER 179 Cb -0.09 -2.61 0.15 0.00 0.21 0.00 0.00 66.02 63.68 3mr1 s SER 179 CO 0.33 -0.48 0.44 -0.63 0.41 0.00 0.00 173.24 173.30 3mr1 s ILE 180 N 0.03 4.08 0.50 1.44 -1.09 -0.74 -4.93 121.20 120.49 3mr1 s ILE 180 Ca 0.55 -2.47 -0.21 0.00 -2.23 0.00 0.00 60.65 56.29 3mr1 s ILE 180 Cb -0.35 -3.65 -0.07 0.00 -1.58 0.00 0.00 42.46 36.80 3mr1 s ILE 180 CO 0.38 -0.85 1.11 -0.76 -1.23 0.00 0.00 174.94 173.59 3mr1 s LEU 181 N 0.49 3.87 0.00 2.97 1.02 -1.26 -1.04 118.68 124.73 3mr1 s LEU 181 Ca 0.13 2.15 0.19 0.00 0.02 0.00 0.00 54.13 56.62 3mr1 s LEU 181 Cb -0.20 -4.45 0.52 0.00 0.02 0.00 0.00 46.19 42.07 3mr1 s LEU 181 CO -0.04 -0.99 1.43 0.59 0.02 0.00 0.00 176.35 177.37 3mr1 n ASN 182 N -0.91 2.79 -4.00 2.29 3.02 -1.26 -3.55 115.26 113.63 3mr1 n ASN 182 Ca 0.09 -1.94 -0.08 0.00 -0.03 0.00 0.00 54.58 52.62 3mr1 n ASN 182 Cb 0.50 -0.28 -0.09 0.00 -0.61 0.00 0.00 39.78 39.29 3mr1 n ASN 182 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3mr1 s TYR 183 N -1.43 0.36 0.00 3.10 1.13 -1.25 -3.30 117.35 115.96 3mr1 s TYR 183 Ca 0.36 -0.80 0.00 0.00 -1.41 0.00 0.00 57.07 55.22 3mr1 s TYR 183 Cb 0.20 -0.26 0.00 0.00 -1.10 0.00 0.00 41.96 40.80 3mr1 s TYR 183 CO 0.27 -0.38 0.00 0.41 -2.51 0.00 0.00 175.55 173.33 3mr1 n GLY 184 N 0.39 0.42 3.81 5.49 0.00 -1.25 -4.52 105.19 109.53 3mr1 n GLY 184 Ca -0.16 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 3mr1 n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mr1 s ARG 185 N -2.00 3.90 0.33 1.61 3.00 -1.26 -3.83 118.95 120.70 3mr1 s ARG 185 Ca 0.00 0.16 -0.29 0.00 0.00 0.00 0.00 55.73 55.60 3mr1 s ARG 185 Cb 0.00 -3.28 -0.12 0.00 0.00 0.00 0.00 34.95 31.55 3mr1 s ARG 185 CO 0.00 0.56 1.42 -1.71 0.00 0.00 0.00 175.30 175.57 3mr1 n ASN 186 N 2.46 3.28 -0.43 0.23 5.15 -1.26 -3.27 115.26 121.41 3mr1 n ASN 186 Ca -0.15 1.19 -0.06 0.00 -0.60 0.00 0.00 54.58 54.97 3mr1 n ASN 186 Cb 0.53 -1.54 -0.02 0.00 -0.53 0.00 0.00 39.78 38.22 3mr1 n ASN 186 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3mr1 n GLY 187 N 1.11 0.81 3.62 8.20 0.00 -1.26 -4.92 105.19 112.75 3mr1 n GLY 187 Ca 0.05 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 3mr1 n GLY 187 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mr1 s THR 188 N -2.18 3.39 0.00 2.61 -4.23 -1.20 -5.01 115.64 109.02 3mr1 s THR 188 Ca 0.00 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 3mr1 s THR 188 Cb 0.00 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.08 3mr1 s THR 188 CO 0.00 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 3mr1 n GLY 189 N -0.47 -3.30 3.73 3.99 0.00 -1.26 -1.09 105.19 106.79 3mr1 n GLY 189 Ca -0.08 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 3mr1 n GLY 189 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3mr1 s LEU 190 N 0.00 3.10 -0.18 0.99 0.05 -1.26 -4.47 118.68 116.91 3mr1 s LEU 190 Ca 0.00 2.06 -0.21 0.00 0.05 0.00 0.00 54.13 56.04 3mr1 s LEU 190 Cb 0.00 -4.55 -0.03 0.00 -2.05 0.00 0.00 46.19 39.56 3mr1 s LEU 190 CO 0.00 -2.30 0.63 -0.89 -0.55 0.00 0.00 176.35 173.24 3mr1 s THR 191 N -2.55 5.03 0.31 5.48 2.01 -1.26 -1.01 115.64 123.65 3mr1 s THR 191 Ca 0.66 1.20 -0.29 0.00 0.31 0.00 0.00 61.69 63.57 3mr1 s THR 191 Cb -0.22 -3.95 -0.11 0.00 0.01 0.00 0.00 72.50 68.23 3mr1 s THR 191 CO 0.52 0.13 1.56 -0.76 -0.69 0.00 0.00 174.62 175.37 3mr1 s LEU 192 N 1.77 4.34 0.03 4.42 1.02 -0.43 -4.87 118.68 124.96 3mr1 s LEU 192 Ca 0.29 2.96 0.06 0.00 0.02 0.00 0.00 54.13 57.46 3mr1 s LEU 192 Cb -0.16 -3.64 -0.02 0.00 0.02 0.00 0.00 46.19 42.39 3mr1 s LEU 192 CO 0.11 -0.89 -0.18 -0.54 0.02 0.00 0.00 176.35 174.87 3mr1 s LYS 193 N -0.90 1.22 0.03 1.70 1.02 -1.26 -0.80 119.74 120.76 3mr1 s LYS 193 Ca 0.60 -0.81 -0.38 0.00 0.02 0.00 0.00 55.97 55.40 3mr1 s LYS 193 Cb -0.47 -1.27 -0.19 0.00 -0.52 0.00 0.00 37.83 35.38 3mr1 s LYS 193 CO 0.51 0.33 1.08 -1.91 -0.92 0.00 0.00 175.35 174.44 3mr1 n GLU 194 N 2.03 0.23 -0.16 1.68 2.13 -1.26 -2.32 120.64 122.97 3mr1 n GLU 194 Ca -0.17 0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.73 3mr1 n GLU 194 Cb 0.54 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.68 3mr1 n GLU 194 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mr1 n GLY 195 N 1.72 0.68 3.76 8.31 0.00 0.20 -4.72 105.19 115.13 3mr1 n GLY 195 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3mr1 n GLY 195 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mr1 s MET 196 N -0.74 4.57 -0.06 1.61 -1.94 -0.98 -0.36 119.30 121.40 3mr1 s MET 196 Ca 0.00 1.62 0.05 0.00 -1.71 0.00 0.00 55.69 55.65 3mr1 s MET 196 Cb 0.00 -3.02 -0.01 0.00 2.01 0.00 0.00 34.83 33.81 3mr1 s MET 196 CO 0.00 0.20 -0.22 -0.06 -0.01 0.00 0.00 175.02 174.93 3mr1 s PHE 197 N -1.33 2.52 0.21 -0.03 0.08 -1.26 -1.05 117.98 117.12 3mr1 s PHE 197 Ca 0.47 -0.59 -0.23 0.00 0.12 0.00 0.00 56.93 56.71 3mr1 s PHE 197 Cb -0.27 -1.62 0.04 0.00 -0.57 0.00 0.00 43.02 40.60 3mr1 s PHE 197 CO 0.34 -0.13 0.77 -0.59 -0.10 0.00 0.00 175.22 175.51 3mr1 s PHE 198 N -0.25 -0.25 0.14 0.36 -0.12 -0.55 -3.15 117.98 114.17 3mr1 s PHE 198 Ca -0.01 -0.11 0.01 0.00 -0.05 0.00 0.00 56.93 56.77 3mr1 s PHE 198 Cb -0.13 0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 3mr1 s PHE 198 CO 0.03 -1.03 0.30 0.95 -0.05 0.00 0.00 175.22 175.41 3mr1 s THR 199 N -3.69 5.30 -0.19 -4.49 -4.23 0.51 -0.43 115.64 108.42 3mr1 s THR 199 Ca 0.09 -0.50 0.01 0.00 -1.18 0.00 0.00 61.69 60.10 3mr1 s THR 199 Cb -0.04 -3.71 0.04 0.00 1.34 0.00 0.00 72.50 70.13 3mr1 s THR 199 CO 0.01 -0.05 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.25 3mr1 s VAL 200 N -1.71 1.61 -0.39 2.29 1.01 -0.87 -3.59 120.40 118.75 3mr1 s VAL 200 Ca 0.36 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.50 3mr1 s VAL 200 Cb -0.12 -1.67 0.32 0.00 0.00 0.00 0.00 36.38 34.91 3mr1 s VAL 200 CO 0.28 0.20 0.71 -1.84 0.00 0.00 0.00 175.10 174.46 3mr1 n GLU 201 N 4.70 0.90 -2.12 2.72 0.28 -1.26 -2.42 120.64 123.44 3mr1 n GLU 201 Ca -0.15 -3.16 -0.39 0.00 -0.16 0.00 0.00 57.16 53.30 3mr1 n GLU 201 Cb 0.47 -1.51 -0.01 0.00 1.43 0.00 0.00 31.44 31.82 3mr1 n GLU 201 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3mr1 s PRO 202 N -1.76 3.99 -0.15 3.44 0.04 -1.24 -4.74 135.00 134.59 3mr1 s PRO 202 Ca 0.37 2.07 -0.02 0.00 0.04 0.00 0.00 61.00 63.47 3mr1 s PRO 202 Cb 0.29 -2.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 3mr1 s PRO 202 CO -0.09 -0.44 -0.10 -1.64 0.04 0.00 0.00 177.00 174.77 3mr1 s MET 203 N -2.24 3.43 -0.09 4.56 -1.94 -1.26 -3.38 119.30 118.38 3mr1 s MET 203 Ca 0.57 -0.64 0.02 0.00 -1.71 0.00 0.00 55.69 53.93 3mr1 s MET 203 Cb -0.36 -2.76 0.01 0.00 2.01 0.00 0.00 34.83 33.73 3mr1 s MET 203 CO 0.46 0.13 -0.15 0.42 -0.01 0.00 0.00 175.02 175.87 3mr1 s ILE 204 N 0.59 1.45 -0.01 2.53 -1.09 -0.10 -1.84 121.20 122.73 3mr1 s ILE 204 Ca -0.06 -0.64 -0.01 0.00 -2.23 0.00 0.00 60.65 57.71 3mr1 s ILE 204 Cb -0.15 -1.31 -0.04 0.00 -1.58 0.00 0.00 42.46 39.38 3mr1 s ILE 204 CO 0.03 0.43 0.12 0.20 -1.23 0.00 0.00 174.94 174.49 3mr1 s ASN 205 N 0.75 5.95 0.24 3.58 0.01 -0.36 -0.95 114.94 124.17 3mr1 s ASN 205 Ca -0.12 0.23 0.08 0.00 -0.71 0.00 0.00 52.86 52.34 3mr1 s ASN 205 Cb -0.16 -1.78 0.26 0.00 0.41 0.00 0.00 41.25 39.99 3mr1 s ASN 205 CO 0.02 0.27 1.56 0.00 -1.51 0.00 0.00 177.10 177.44 3mr1 h ALA 206 N 4.02 0.87 -3.00 0.60 0.00 -1.32 -1.64 119.26 118.79 3mr1 h ALA 206 Ca -0.49 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 53.82 3mr1 h ALA 206 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3mr1 h ALA 206 CO 0.65 0.82 0.00 0.41 0.00 0.00 0.00 179.25 181.12 3mr1 n GLY 207 N 0.39 1.25 3.80 0.00 0.00 -1.26 -4.78 105.19 104.59 3mr1 n GLY 207 Ca -0.01 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 3mr1 n GLY 207 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3mr1 s ASN 208 N -0.61 6.31 0.37 1.61 3.84 -1.26 -4.20 114.94 121.00 3mr1 s ASN 208 Ca 0.00 1.86 0.27 0.00 0.21 0.00 0.00 52.86 55.21 3mr1 s ASN 208 Cb 0.00 -2.55 1.22 0.00 -0.55 0.00 0.00 41.25 39.37 3mr1 s ASN 208 CO 0.00 -0.81 1.82 0.10 -2.79 0.00 0.00 177.10 175.42 3mr1 h TYR 209 N 1.34 0.00 -3.51 0.43 -0.00 -1.89 -3.46 116.97 109.87 3mr1 h TYR 209 Ca -0.49 0.00 -0.52 0.00 -0.00 0.00 0.00 58.73 57.72 3mr1 h TYR 209 Cb 1.21 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 37.96 3mr1 h TYR 209 CO 0.58 0.00 0.56 0.34 -0.00 0.00 0.00 178.16 179.64 3mr1 s ASP 210 N -4.59 7.08 0.21 0.10 2.15 -1.26 -4.52 116.67 115.85 3mr1 s ASP 210 Ca 0.02 2.26 0.08 0.00 0.43 0.00 0.00 52.55 55.33 3mr1 s ASP 210 Cb 0.09 -2.61 -0.05 0.00 -0.30 0.00 0.00 42.92 40.05 3mr1 s ASP 210 CO 0.39 -0.37 -0.14 0.42 -0.17 0.00 0.00 175.17 175.30 3mr1 s THR 211 N -0.16 1.78 -0.07 1.71 -4.23 -1.26 -0.86 115.64 112.55 3mr1 s THR 211 Ca 0.52 -2.22 0.02 0.00 -1.18 0.00 0.00 61.69 58.83 3mr1 s THR 211 Cb -0.33 -2.08 0.02 0.00 1.34 0.00 0.00 72.50 71.45 3mr1 s THR 211 CO 0.38 -0.57 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.16 3mr1 s ILE 212 N -2.95 1.00 -0.08 2.99 1.01 -0.20 -4.76 121.20 118.22 3mr1 s ILE 212 Ca 0.23 -0.38 -0.24 0.00 0.00 0.00 0.00 60.65 60.27 3mr1 s ILE 212 Cb -0.01 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 3mr1 s ILE 212 CO 0.08 0.33 0.72 -0.22 0.00 0.00 0.00 174.94 175.85 3mr1 s LEU 213 N 0.88 4.30 -0.13 2.97 2.96 -1.26 -1.46 118.68 126.94 3mr1 s LEU 213 Ca -0.11 1.19 -0.29 0.00 -0.22 0.00 0.00 54.13 54.70 3mr1 s LEU 213 Cb -0.15 -3.11 -0.05 0.00 0.50 0.00 0.00 46.19 43.38 3mr1 s LEU 213 CO 0.01 -0.15 1.85 -0.55 -1.32 0.00 0.00 176.35 176.19 3mr1 s SER 214 N 0.85 6.24 0.33 3.68 0.15 0.05 -4.86 113.70 120.14 3mr1 s SER 214 Ca 0.38 2.06 0.04 0.00 0.70 0.00 0.00 55.95 59.13 3mr1 s SER 214 Cb -0.18 -2.53 0.57 0.00 -1.71 0.00 0.00 66.02 62.18 3mr1 s SER 214 CO 0.18 -1.31 1.84 0.11 1.20 0.00 0.00 173.24 175.25 3mr1 h LYS 215 N 11.47 0.47 0.51 5.44 1.79 -1.95 0.14 116.57 134.45 3mr1 h LYS 215 Ca -0.40 -0.12 -0.02 0.00 -2.18 0.00 0.00 60.65 57.93 3mr1 h LYS 215 Cb 1.20 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 3mr1 h LYS 215 CO 0.97 0.57 -0.34 1.25 -1.08 0.00 0.00 179.45 180.82 3mr1 h LEU 216 N 0.45 -0.88 0.00 2.94 5.85 -1.99 -3.32 115.31 118.36 3mr1 h LEU 216 Ca 0.09 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3mr1 h LEU 216 Cb 0.43 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3mr1 h LEU 216 CO 0.02 -0.53 -0.83 -0.90 -0.34 0.00 0.00 178.44 175.86 3mr1 n ASP 217 N -5.47 0.80 0.00 1.25 5.68 -1.25 -4.99 116.55 112.57 3mr1 n ASP 217 Ca -0.12 -0.85 0.00 0.00 -0.50 0.00 0.00 54.79 53.32 3mr1 n ASP 217 Cb 0.37 1.04 0.00 0.00 -1.14 0.00 0.00 41.12 41.39 3mr1 n ASP 217 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mr1 n GLY 218 N 1.40 0.59 0.98 6.12 0.00 0.04 -4.77 105.19 109.55 3mr1 n GLY 218 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3mr1 n GLY 218 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mr1 n TRP 219 N -2.42 0.00 -2.26 1.61 7.02 -1.26 -4.91 117.44 115.23 3mr1 n TRP 219 Ca 0.00 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.05 3mr1 n TRP 219 Cb 0.05 0.13 -0.02 0.00 -2.42 0.00 0.00 31.31 29.04 3mr1 n TRP 219 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3mr1 s THR 220 N -1.90 3.96 -0.16 -0.99 2.01 -1.26 -4.67 115.64 112.63 3mr1 s THR 220 Ca 0.00 1.20 -0.06 0.00 0.31 0.00 0.00 61.69 63.14 3mr1 s THR 220 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3mr1 s THR 220 CO 0.00 -0.08 0.04 -0.69 -0.69 0.00 0.00 174.62 173.20 3mr1 s VAL 221 N 3.40 4.62 0.25 3.82 1.01 -1.02 -0.77 120.40 131.71 3mr1 s VAL 221 Ca 0.62 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.57 3mr1 s VAL 221 Cb -0.27 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 3mr1 s VAL 221 CO 0.22 0.50 -0.10 0.42 0.00 0.00 0.00 175.10 176.13 3mr1 s THR 222 N 0.10 1.73 0.18 3.92 -4.23 -0.54 0.37 115.64 117.17 3mr1 s THR 222 Ca 0.04 -2.18 -0.30 0.00 -1.18 0.00 0.00 61.69 58.07 3mr1 s THR 222 Cb -0.12 -2.28 -0.08 0.00 1.34 0.00 0.00 72.50 71.36 3mr1 s THR 222 CO 0.01 -0.42 1.24 0.42 -0.54 0.00 0.00 174.62 175.33 3mr1 s THR 223 N -2.97 3.47 0.19 3.99 -4.23 -0.66 -1.03 115.64 114.41 3mr1 s THR 223 Ca 0.27 1.21 -0.12 0.00 -1.18 0.00 0.00 61.69 61.87 3mr1 s THR 223 Cb 0.01 -3.77 0.12 0.00 1.34 0.00 0.00 72.50 70.20 3mr1 s THR 223 CO 0.10 0.18 1.72 -0.09 -0.54 0.00 0.00 174.62 175.99 3mr1 h ARG 224 N 5.44 0.27 -0.07 3.99 9.65 -1.30 -2.35 114.38 130.01 3mr1 h ARG 224 Ca -0.44 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 3mr1 h ARG 224 Cb 1.21 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 3mr1 h ARG 224 CO 0.76 0.18 0.00 -0.40 2.80 0.00 0.00 179.97 183.31 3mr1 n ASP 225 N -5.09 0.70 -0.23 -3.80 5.75 -1.26 -4.90 116.55 107.72 3mr1 n ASP 225 Ca 0.07 -1.57 -0.03 0.00 -0.01 0.00 0.00 54.79 53.24 3mr1 n ASP 225 Cb 0.26 -0.05 -0.01 0.00 -1.03 0.00 0.00 41.12 40.29 3mr1 n ASP 225 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3mr1 n LYS 226 N -0.31 -1.01 -1.50 0.11 4.76 -0.89 -5.00 118.16 114.33 3mr1 n LYS 226 Ca 0.14 0.44 -0.31 0.00 -2.87 0.00 0.00 58.31 55.71 3mr1 n LYS 226 Cb 0.17 -4.30 0.07 0.00 -1.84 0.00 0.00 35.03 29.13 3mr1 n LYS 226 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3mr1 s SER 227 N -2.23 5.06 0.59 4.39 1.04 -1.26 -4.78 113.70 116.51 3mr1 s SER 227 Ca 0.00 1.62 -0.19 0.00 0.48 0.00 0.00 55.95 57.86 3mr1 s SER 227 Cb 0.00 -2.44 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 3mr1 s SER 227 CO 0.00 -1.65 1.21 -0.76 0.98 0.00 0.00 173.24 173.02 3mr1 s LEU 228 N -5.66 3.66 0.01 2.42 1.43 -1.26 -4.33 118.68 114.95 3mr1 s LEU 228 Ca 0.59 2.38 0.01 0.00 -1.03 0.00 0.00 54.13 56.09 3mr1 s LEU 228 Cb -0.15 -4.60 -0.01 0.00 0.03 0.00 0.00 46.19 41.46 3mr1 s LEU 228 CO 0.55 -1.59 -0.05 -0.55 0.23 0.00 0.00 176.35 174.95 3mr1 s SER 229 N -1.60 0.50 0.12 2.29 0.15 -0.91 -0.87 113.70 113.37 3mr1 s SER 229 Ca 0.77 -0.27 0.04 0.00 0.70 0.00 0.00 55.95 57.20 3mr1 s SER 229 Cb -0.30 0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 3mr1 s SER 229 CO 0.33 -0.08 -0.11 0.00 1.20 0.00 0.00 173.24 174.58 3mr1 s ALA 230 N -0.66 1.29 -0.03 5.45 0.00 -0.12 -4.75 121.76 122.94 3mr1 s ALA 230 Ca -0.05 -1.30 -0.10 0.00 0.00 0.00 0.00 51.96 50.51 3mr1 s ALA 230 Cb -0.05 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.10 3mr1 s ALA 230 CO -0.00 -0.03 0.21 -1.14 0.00 0.00 0.00 175.76 174.80 3mr1 s GLN 231 N -3.06 0.49 0.10 0.00 0.74 -1.26 -0.92 119.66 115.74 3mr1 s GLN 231 Ca 0.10 -0.16 0.03 0.00 0.05 0.00 0.00 55.36 55.38 3mr1 s GLN 231 Cb -0.02 0.21 -0.04 0.00 1.10 0.00 0.00 33.01 34.27 3mr1 s GLN 231 CO 0.01 -0.11 -0.09 -0.06 -0.55 0.00 0.00 175.29 174.49 3mr1 s PHE 232 N -0.99 0.98 -0.05 1.67 0.08 -1.22 -4.06 117.98 114.39 3mr1 s PHE 232 Ca -0.11 -0.73 -0.06 0.00 0.12 0.00 0.00 56.93 56.16 3mr1 s PHE 232 Cb -0.05 -0.55 0.01 0.00 -0.57 0.00 0.00 43.02 41.86 3mr1 s PHE 232 CO 0.02 -0.05 0.16 -2.00 -0.10 0.00 0.00 175.22 173.26 3mr1 s GLU 233 N -3.06 0.24 0.11 0.44 2.12 -0.81 -3.59 118.70 114.14 3mr1 s GLU 233 Ca 0.07 0.14 0.05 0.00 0.36 0.00 0.00 54.97 55.58 3mr1 s GLU 233 Cb -0.01 0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.46 3mr1 s GLU 233 CO -0.01 -0.04 -0.12 -1.01 -0.54 0.00 0.00 175.26 173.54 3mr1 s HIS 234 N -0.13 1.20 -0.18 5.30 3.76 -1.02 -2.30 115.29 121.92 3mr1 s HIS 234 Ca -0.02 -0.62 -0.09 0.00 -0.15 0.00 0.00 55.06 54.18 3mr1 s HIS 234 Cb -0.02 -0.64 -0.05 0.00 1.11 0.00 0.00 32.58 32.98 3mr1 s HIS 234 CO 0.00 0.06 0.13 0.99 -0.85 0.00 0.00 174.74 175.07 3mr1 s THR 235 N -2.33 5.38 0.20 1.30 2.01 -1.10 -2.06 115.64 119.04 3mr1 s THR 235 Ca 0.07 0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.28 3mr1 s THR 235 Cb -0.04 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 3mr1 s THR 235 CO 0.01 0.48 -0.05 0.27 -0.69 0.00 0.00 174.62 174.64 3mr1 s ILE 236 N 0.09 1.12 0.07 1.82 -4.36 0.43 -1.01 121.20 119.35 3mr1 s ILE 236 Ca 0.09 -2.05 0.04 0.00 -0.26 0.00 0.00 60.65 58.47 3mr1 s ILE 236 Cb -0.11 -2.14 -0.03 0.00 1.25 0.00 0.00 42.46 41.42 3mr1 s ILE 236 CO -0.01 -0.50 -0.11 -0.83 0.24 0.00 0.00 174.94 173.73 3mr1 s GLY 237 N -3.25 0.76 -0.23 6.27 0.00 -0.05 -1.48 107.32 109.33 3mr1 s GLY 237 Ca 0.24 -0.97 -0.14 0.00 0.00 0.00 0.00 44.72 43.84 3mr1 s GLY 237 CO 0.06 -1.02 0.33 0.14 0.00 0.00 0.00 173.10 172.61 3mr1 s VAL 238 N -1.57 5.23 0.49 1.40 1.01 -0.21 -0.44 120.40 126.31 3mr1 s VAL 238 Ca -0.03 0.54 0.05 0.00 0.00 0.00 0.00 61.98 62.54 3mr1 s VAL 238 Cb -0.08 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 3mr1 s VAL 238 CO 0.01 0.24 0.21 0.42 0.00 0.00 0.00 175.10 175.99 3mr1 s THR 239 N 1.51 1.74 0.54 3.92 -4.23 -0.55 -0.63 115.64 117.95 3mr1 s THR 239 Ca 0.15 -1.71 0.22 0.00 -1.18 0.00 0.00 61.69 59.17 3mr1 s THR 239 Cb -0.15 -2.45 0.32 0.00 1.34 0.00 0.00 72.50 71.57 3mr1 s THR 239 CO 0.08 0.00 2.13 0.11 -0.54 0.00 0.00 174.62 176.40 3mr1 h LYS 240 N 1.15 0.00 -0.34 3.99 1.57 -1.98 -2.94 116.57 118.02 3mr1 h LYS 240 Ca -0.41 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3mr1 h LYS 240 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 3mr1 h LYS 240 CO 0.66 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.30 3mr1 n ASP 241 N -4.30 4.34 0.00 0.86 8.00 -1.26 -4.87 116.55 119.32 3mr1 n ASP 241 Ca 0.00 -3.01 0.00 0.00 0.71 0.00 0.00 54.79 52.49 3mr1 n ASP 241 Cb 0.23 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 3mr1 n ASP 241 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mr1 n GLY 242 N -0.24 1.38 3.19 0.44 0.00 -1.11 -5.04 105.19 103.82 3mr1 n GLY 242 Ca 0.23 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 3mr1 n GLY 242 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mr1 s PHE 243 N 0.00 1.00 -0.06 1.61 -0.71 -1.22 -1.48 117.98 117.13 3mr1 s PHE 243 Ca 0.00 -0.88 0.02 0.00 -1.04 0.00 0.00 56.93 55.03 3mr1 s PHE 243 Cb 0.00 -0.55 0.01 0.00 -1.21 0.00 0.00 43.02 41.27 3mr1 s PHE 243 CO 0.00 -0.09 -0.10 -2.00 -1.34 0.00 0.00 175.22 171.68 3mr1 s GLU 244 N -3.82 1.45 -0.32 1.99 2.12 0.41 -4.81 118.70 115.73 3mr1 s GLU 244 Ca 0.14 -0.34 -0.19 0.00 0.36 0.00 0.00 54.97 54.93 3mr1 s GLU 244 Cb 0.05 -1.24 -0.01 0.00 0.26 0.00 0.00 34.13 33.18 3mr1 s GLU 244 CO -0.03 0.02 0.56 0.42 -0.54 0.00 0.00 175.26 175.69 3mr1 s ILE 245 N 0.65 4.99 -0.07 -3.70 1.01 -1.26 -0.87 121.20 121.94 3mr1 s ILE 245 Ca -0.13 0.59 0.14 0.00 0.00 0.00 0.00 60.65 61.25 3mr1 s ILE 245 Cb -0.15 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.37 3mr1 s ILE 245 CO 0.03 -0.16 1.44 -0.26 0.00 0.00 0.00 174.94 175.99 3mr1 h PHE 246 N 8.32 0.00 -1.26 3.97 0.04 -1.42 -3.37 116.94 123.22 3mr1 h PHE 246 Ca -0.28 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 59.92 3mr1 h PHE 246 Cb 1.12 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 39.06 3mr1 h PHE 246 CO 0.74 0.59 0.65 0.25 -0.60 0.00 0.00 178.31 179.95 3mr1 n THR 247 N -3.28 3.37 -0.18 -1.55 -2.24 -1.23 -2.95 114.28 106.22 3mr1 n THR 247 Ca 0.01 -3.20 0.00 0.00 -2.27 0.00 0.00 64.05 58.59 3mr1 n THR 247 Cb 0.76 -1.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 3mr1 n THR 247 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68