#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oze h GLN 11 N 0.00 -0.15 -6.53 -0.52 5.75 -2.02 -3.43 115.11 108.22 1oze h GLN 11 Ca 0.00 0.01 -0.53 0.00 -0.15 0.00 0.00 58.65 57.98 1oze h GLN 11 Cb 0.00 0.03 0.01 0.00 1.07 0.00 0.00 27.48 28.60 1oze h GLN 11 CO 0.00 0.34 0.63 -0.51 -2.65 0.00 0.00 178.83 176.64 1oze s ASP 12 N -5.59 6.97 0.20 -0.69 -0.00 -1.26 -4.92 116.67 111.37 1oze s ASP 12 Ca -0.13 2.18 -0.15 0.00 -0.00 0.00 0.00 52.55 54.44 1oze s ASP 12 Cb 0.00 -2.59 0.19 0.00 -0.00 0.00 0.00 42.92 40.53 1oze s ASP 12 CO 0.52 -0.54 1.64 0.25 -0.00 0.00 0.00 175.17 177.03 1oze h LEU 13 N 6.63 -0.56 -0.89 1.23 5.85 -1.88 0.22 115.31 125.91 1oze h LEU 13 Ca -0.42 0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.58 1oze h LEU 13 Cb 1.21 0.36 -0.08 0.00 0.37 0.00 0.00 40.66 42.52 1oze h LEU 13 CO 0.83 -0.19 0.52 0.77 -0.34 0.00 0.00 178.44 180.02 1oze h SER 14 N -0.01 0.75 0.09 1.25 4.64 -1.88 -0.14 113.55 118.24 1oze h SER 14 Ca 0.27 0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.48 1oze h SER 14 Cb 0.42 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1oze h SER 14 CO -0.58 0.41 -0.58 -0.33 -0.87 0.00 0.00 176.83 174.87 1oze h GLU 15 N 0.84 0.50 -0.52 4.77 4.39 -1.49 -2.75 114.58 120.33 1oze h GLU 15 Ca 0.44 -0.33 -0.11 0.00 0.34 0.00 0.00 59.36 59.69 1oze h GLU 15 Cb 0.43 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1oze h GLU 15 CO -0.26 0.94 -0.11 0.00 -1.16 0.00 0.00 179.01 178.42 1oze h ALA 16 N 0.98 0.71 -0.04 3.43 0.00 -0.16 -2.49 119.26 121.70 1oze h ALA 16 Ca 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1oze h ALA 16 Cb 1.12 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1oze h ALA 16 CO 0.11 0.62 0.02 -0.07 0.00 0.00 0.00 179.25 179.93 1oze h LEU 17 N 0.86 0.06 -0.63 0.00 3.38 -1.03 -1.01 115.31 116.93 1oze h LEU 17 Ca 0.13 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1oze h LEU 17 Cb 0.67 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1oze h LEU 17 CO 0.05 0.19 0.38 0.50 0.09 0.00 0.00 178.44 179.64 1oze h LYS 18 N -0.08 0.71 -0.46 1.13 3.64 -1.47 -2.31 116.57 117.73 1oze h LYS 18 Ca 0.01 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.21 1oze h LYS 18 Cb 0.15 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1oze h LYS 18 CO -0.00 0.47 -0.25 1.49 -2.27 0.00 0.00 179.45 178.88 1oze h GLU 19 N 0.73 0.97 0.00 1.90 4.81 -1.37 -2.86 114.58 118.76 1oze h GLU 19 Ca 0.26 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1oze h GLU 19 Cb 0.07 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1oze h GLU 19 CO -0.12 1.10 0.00 0.00 -0.73 0.00 0.00 179.01 179.26 1oze n ALA 20 N -2.52 2.02 0.38 2.92 0.00 -0.39 -3.24 120.51 119.68 1oze n ALA 20 Ca -0.00 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.46 1oze n ALA 20 Cb 0.48 -1.40 0.05 0.00 0.00 0.00 0.00 19.45 18.57 1oze n ALA 20 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1oze n THR 21 N -1.91 0.06 -0.33 0.00 -2.24 -0.89 -4.62 114.28 104.35 1oze n THR 21 Ca 0.05 -0.53 0.06 0.00 -2.27 0.00 0.00 64.05 61.35 1oze n THR 21 Cb 0.31 1.16 0.22 0.00 -2.10 0.00 0.00 70.33 69.92 1oze n THR 21 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1oze h LYS 22 N 1.93 0.85 -0.03 -0.78 3.64 -1.48 0.12 116.57 120.83 1oze h LYS 22 Ca 0.00 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1oze h LYS 22 Cb 0.43 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1oze h LYS 22 CO 0.00 0.56 -0.00 1.05 -2.27 0.00 0.00 179.45 178.79 1oze h GLU 23 N 0.87 0.05 0.00 1.90 9.09 -1.82 -2.84 114.58 121.84 1oze h GLU 23 Ca 0.46 -0.02 -0.06 0.00 0.05 0.00 0.00 59.36 59.79 1oze h GLU 23 Cb 0.49 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.57 1oze h GLU 23 CO -0.28 0.39 -0.30 -0.39 0.05 0.00 0.00 179.01 178.48 1oze h VAL 24 N -0.29 0.84 -0.71 -1.06 -1.51 -1.78 -2.47 116.25 109.27 1oze h VAL 24 Ca 0.01 -1.23 -0.07 0.00 -1.23 0.00 0.00 66.70 64.19 1oze h VAL 24 Cb 0.37 1.75 -0.03 0.00 -2.13 0.00 0.00 31.29 31.24 1oze h VAL 24 CO 0.00 0.30 0.18 -0.74 -1.23 0.00 0.00 177.57 176.08 1oze h HIS 25 N 0.00 1.18 -0.49 5.19 6.17 -0.71 -0.72 115.15 125.77 1oze h HIS 25 Ca -0.00 -0.13 -0.08 0.00 0.71 0.00 0.00 60.37 60.87 1oze h HIS 25 Cb 0.72 -0.34 -0.02 0.00 2.52 0.00 0.00 27.41 30.30 1oze h HIS 25 CO 0.00 0.95 -0.00 1.15 0.71 0.00 0.00 177.93 180.74 1oze h THR 26 N 1.07 1.26 -0.82 6.26 2.02 -1.21 -0.60 112.91 120.88 1oze h THR 26 Ca 0.23 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 1oze h THR 26 Cb 0.36 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1oze h THR 26 CO 0.00 0.37 0.49 1.56 0.37 0.00 0.00 175.52 178.32 1oze h GLN 27 N 0.72 1.12 -0.45 6.66 4.20 -1.10 0.25 115.11 126.51 1oze h GLN 27 Ca 0.14 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1oze h GLN 27 Cb 0.51 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1oze h GLN 27 CO 0.03 0.79 0.01 0.00 -0.67 0.00 0.00 178.83 178.98 1oze h ALA 28 N 1.40 0.60 -0.45 3.87 0.00 -0.74 -1.33 119.26 122.61 1oze h ALA 28 Ca 0.30 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1oze h ALA 28 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1oze h ALA 28 CO -0.05 0.38 0.05 0.93 0.00 0.00 0.00 179.25 180.56 1oze h GLU 29 N 0.63 0.71 -0.01 0.00 5.08 -0.53 -2.64 114.58 117.82 1oze h GLU 29 Ca 0.13 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1oze h GLU 29 Cb 0.48 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1oze h GLU 29 CO 0.02 0.69 -0.03 0.09 -1.00 0.00 0.00 179.01 178.78 1oze n ASN 30 N -4.26 0.99 -4.74 1.42 5.03 0.02 -3.58 115.26 110.14 1oze n ASN 30 Ca 0.03 -1.22 -0.42 0.00 0.87 0.00 0.00 54.58 53.84 1oze n ASN 30 Cb 0.25 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.99 1oze n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1oze s ALA 31 N -2.10 3.82 0.22 5.41 0.00 -0.52 -4.69 121.76 123.90 1oze s ALA 31 Ca 0.38 1.57 -0.19 0.00 0.00 0.00 0.00 51.96 53.72 1oze s ALA 31 Cb 0.21 -3.66 0.20 0.00 0.00 0.00 0.00 23.12 19.87 1oze s ALA 31 CO 0.38 -0.95 1.53 -1.91 0.00 0.00 0.00 175.76 174.81 1oze n GLU 32 N 2.95 -0.25 -0.17 0.00 0.00 -1.26 0.12 120.64 122.02 1oze n GLU 32 Ca 0.11 1.52 -0.04 0.00 0.00 0.00 0.00 57.16 58.76 1oze n GLU 32 Cb 0.37 -2.25 0.06 0.00 0.00 0.00 0.00 31.44 29.61 1oze n GLU 32 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1oze h PHE 33 N 0.00 0.47 -0.22 4.31 3.04 -1.89 -0.20 116.94 122.45 1oze h PHE 33 Ca 0.32 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 62.11 1oze h PHE 33 Cb 0.57 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.95 1oze h PHE 33 CO -0.89 0.21 -0.59 0.52 -2.02 0.00 0.00 178.31 175.55 1oze h MET 34 N 0.49 0.72 -0.29 1.11 2.86 -1.45 -0.59 114.93 117.78 1oze h MET 34 Ca 0.24 -0.48 0.05 0.00 -2.06 0.00 0.00 59.70 57.45 1oze h MET 34 Cb 0.17 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 1oze h MET 34 CO -0.18 1.10 0.02 -0.09 1.06 0.00 0.00 176.91 178.82 1oze h ARG 35 N 0.54 0.11 0.00 1.72 2.43 0.15 0.28 114.38 119.61 1oze h ARG 35 Ca 0.00 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 1oze h ARG 35 Cb 1.18 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1oze h ARG 35 CO 0.12 0.07 -0.43 -0.91 -1.51 0.00 0.00 179.97 177.31 1oze h ASN 36 N 0.11 0.00 -0.27 -3.80 -0.26 -0.98 -2.99 115.58 107.40 1oze h ASN 36 Ca 0.14 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.73 1oze h ASN 36 Cb 0.17 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.43 1oze h ASN 36 CO -0.22 0.43 -0.40 0.15 -1.06 0.00 0.00 177.43 176.33 1oze h PHE 37 N 0.00 0.92 -0.66 1.19 3.04 0.17 0.83 116.94 122.43 1oze h PHE 37 Ca -0.00 -0.31 -0.01 0.00 3.98 0.00 0.00 57.97 61.63 1oze h PHE 37 Cb 0.88 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 39.18 1oze h PHE 37 CO 0.00 1.09 0.37 1.96 -2.02 0.00 0.00 178.31 179.71 1oze h GLN 38 N 0.48 0.90 -1.40 1.11 4.20 -0.38 -2.26 115.11 117.76 1oze h GLN 38 Ca 0.03 -0.09 -0.26 0.00 0.06 0.00 0.00 58.65 58.38 1oze h GLN 38 Cb 1.00 -0.19 -0.12 0.00 0.30 0.00 0.00 27.48 28.47 1oze h GLN 38 CO 0.09 0.65 0.34 0.36 -0.67 0.00 0.00 178.83 179.60 1oze n LYS 39 N -4.38 1.65 -1.50 1.46 2.85 -1.14 -4.84 118.16 112.26 1oze n LYS 39 Ca 0.06 -1.33 -0.15 0.00 -1.05 0.00 0.00 58.31 55.84 1oze n LYS 39 Cb 0.09 -1.52 -0.06 0.00 -0.65 0.00 0.00 35.03 32.89 1oze n LYS 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1oze n GLY 40 N 0.27 1.27 2.86 2.58 0.00 -0.85 -4.89 105.19 106.44 1oze n GLY 40 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1oze n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1oze n GLN 41 N -2.04 4.77 -4.53 1.61 6.02 0.28 -4.78 117.38 118.71 1oze n GLN 41 Ca -0.15 -4.60 -0.23 0.00 -0.01 0.00 0.00 57.00 52.01 1oze n GLN 41 Cb 0.49 -2.49 -0.16 0.00 1.02 0.00 0.00 30.24 29.11 1oze n GLN 41 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1oze s VAL 42 N -3.35 1.01 0.48 5.09 0.11 -1.26 -4.34 120.40 118.14 1oze s VAL 42 Ca 0.34 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.97 1oze s VAL 42 Cb 0.10 -0.91 0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1oze s VAL 42 CO 0.02 0.32 0.68 0.42 -3.33 0.00 0.00 175.10 173.20 1oze s THR 43 N 0.39 3.27 0.22 5.04 -4.23 -1.26 -4.71 115.64 114.36 1oze s THR 43 Ca -0.08 -0.71 -0.08 0.00 -1.18 0.00 0.00 61.69 59.64 1oze s THR 43 Cb -0.12 -3.19 0.17 0.00 1.34 0.00 0.00 72.50 70.70 1oze s THR 43 CO 0.02 -0.11 1.81 0.03 -0.54 0.00 0.00 174.62 175.83 1oze h ARG 44 N 0.35 1.18 -0.44 3.99 3.08 -1.95 -0.13 114.38 120.46 1oze h ARG 44 Ca -0.43 -0.17 0.04 0.00 0.07 0.00 0.00 59.98 59.48 1oze h ARG 44 Cb 1.28 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 31.07 1oze h ARG 44 CO 0.53 0.90 0.22 0.22 -1.07 0.00 0.00 179.97 180.77 1oze h ASP 45 N 1.16 0.32 -0.35 7.04 -0.00 -1.99 0.14 116.42 122.74 1oze h ASP 45 Ca 0.28 0.02 -0.04 0.00 -0.00 0.00 0.00 57.03 57.29 1oze h ASP 45 Cb 0.11 -0.04 -0.01 0.00 -0.00 0.00 0.00 39.33 39.39 1oze h ASP 45 CO -0.04 0.23 0.06 1.23 -0.00 0.00 0.00 179.24 180.72 1oze h GLY 46 N 0.45 0.62 1.01 -0.78 0.00 -1.80 -2.66 103.07 99.91 1oze h GLY 46 Ca 0.19 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1oze h GLY 46 CO -0.13 0.39 0.28 -2.75 0.00 0.00 0.00 176.54 174.33 1oze h PHE 47 N 0.42 1.01 -0.85 5.60 3.57 -0.66 -1.50 116.94 124.53 1oze h PHE 47 Ca 0.11 -0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1oze h PHE 47 Cb 0.36 -0.30 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 1oze h PHE 47 CO 0.02 0.78 0.51 0.87 -2.23 0.00 0.00 178.31 178.27 1oze h LYS 48 N 0.94 0.88 -0.62 1.11 1.57 -0.64 0.27 116.57 120.08 1oze h LYS 48 Ca 0.23 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1oze h LYS 48 Cb 0.18 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1oze h LYS 48 CO -0.02 0.58 0.27 -0.07 -0.57 0.00 0.00 179.45 179.64 1oze h LEU 49 N 0.91 0.84 -0.29 2.94 3.38 -1.04 0.12 115.31 122.17 1oze h LEU 49 Ca 0.39 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1oze h LEU 49 Cb 0.25 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1oze h LEU 49 CO -0.20 0.76 0.14 0.58 0.09 0.00 0.00 178.44 179.81 1oze h VAL 50 N 0.86 1.15 -0.69 1.22 2.07 -0.21 -1.42 116.25 119.23 1oze h VAL 50 Ca 0.21 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1oze h VAL 50 Cb 0.17 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1oze h VAL 50 CO -0.02 0.15 0.44 0.24 0.02 0.00 0.00 177.57 178.40 1oze h MET 51 N 0.33 0.92 -0.53 1.57 2.86 -0.15 -1.22 114.93 118.71 1oze h MET 51 Ca 0.10 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1oze h MET 51 Cb 0.11 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 1oze h MET 51 CO -0.01 0.63 0.29 0.00 1.06 0.00 0.00 176.91 178.87 1oze h ALA 52 N 1.24 0.68 -0.19 6.32 0.00 -0.50 -1.60 119.26 125.21 1oze h ALA 52 Ca 0.25 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1oze h ALA 52 Cb -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1oze h ALA 52 CO -0.05 -0.03 0.12 0.77 0.00 0.00 0.00 179.25 180.05 1oze h SER 53 N 0.56 0.20 -0.78 0.00 0.02 -0.71 -2.63 113.55 110.21 1oze h SER 53 Ca 0.22 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.24 1oze h SER 53 Cb 0.09 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 1oze h SER 53 CO -0.13 0.15 0.46 -0.07 -1.14 0.00 0.00 176.83 176.09 1oze h LEU 54 N 0.24 0.69 0.11 5.07 3.38 -0.88 -1.53 115.31 122.39 1oze h LEU 54 Ca 0.07 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1oze h LEU 54 Cb -0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1oze h LEU 54 CO -0.02 0.42 -0.12 0.22 0.09 0.00 0.00 178.44 179.03 1oze h TYR 55 N 0.81 -0.31 -0.74 1.13 3.20 -0.96 -1.00 116.97 119.10 1oze h TYR 55 Ca 0.36 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.25 1oze h TYR 55 Cb 0.24 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 1oze h TYR 55 CO -0.06 -0.19 0.48 0.45 -1.64 0.00 0.00 178.16 177.21 1oze h HIS 56 N -0.26 0.91 0.17 -3.82 3.86 -1.13 -0.97 115.15 113.91 1oze h HIS 56 Ca 0.01 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1oze h HIS 56 Cb 0.26 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1oze h HIS 56 CO -0.13 0.55 -0.08 0.82 0.86 0.00 0.00 177.93 179.95 1oze h ILE 57 N 0.97 0.91 -0.21 2.45 2.04 -1.12 -2.64 117.51 119.92 1oze h ILE 57 Ca 0.28 -0.38 -0.09 0.00 1.00 0.00 0.00 64.86 65.67 1oze h ILE 57 Cb -0.06 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1oze h ILE 57 CO -0.08 0.09 -0.26 1.88 0.00 0.00 0.00 178.15 179.78 1oze h TYR 58 N -0.41 0.44 -0.05 1.37 0.05 -1.07 -0.06 116.97 117.24 1oze h TYR 58 Ca -0.02 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 58.66 1oze h TYR 58 Cb 0.32 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 1oze h TYR 58 CO -0.01 0.63 0.03 0.28 -1.05 0.00 0.00 178.16 178.03 1oze h VAL 59 N 0.35 1.09 -0.10 -2.88 2.07 -1.18 0.24 116.25 115.85 1oze h VAL 59 Ca 0.05 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1oze h VAL 59 Cb 0.65 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1oze h VAL 59 CO 0.05 0.08 0.03 0.00 0.02 0.00 0.00 177.57 177.74 1oze h ALA 60 N 0.92 0.13 -0.59 1.67 0.00 -1.30 -1.41 119.26 118.68 1oze h ALA 60 Ca 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1oze h ALA 60 Cb 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1oze h ALA 60 CO -0.00 -0.26 0.34 1.25 0.00 0.00 0.00 179.25 180.58 1oze h LEU 61 N -0.04 0.71 -0.74 0.00 5.85 -0.93 -2.36 115.31 117.81 1oze h LEU 61 Ca 0.03 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1oze h LEU 61 Cb 0.22 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1oze h LEU 61 CO -0.00 0.58 -0.31 -0.33 -0.34 0.00 0.00 178.44 178.04 1oze h GLU 62 N 0.79 0.00 0.00 1.25 5.08 -0.46 -0.91 114.58 120.32 1oze h GLU 62 Ca 0.21 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.39 1oze h GLU 62 Cb 0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1oze h GLU 62 CO -0.04 0.31 -0.85 1.05 -1.00 0.00 0.00 179.01 178.48 1oze h GLU 63 N 0.00 0.00 -0.01 2.33 4.11 -1.01 -1.66 114.58 118.35 1oze h GLU 63 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.25 1oze h GLU 63 Cb 0.95 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1oze h GLU 63 CO 0.04 0.85 -0.79 0.93 0.07 0.00 0.00 179.01 180.11 1oze h GLU 64 N 0.00 0.12 -0.39 1.06 4.39 -1.18 -1.79 114.58 116.79 1oze h GLU 64 Ca -0.01 -0.12 -0.07 0.00 0.34 0.00 0.00 59.36 59.50 1oze h GLU 64 Cb 1.51 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.18 1oze h GLU 64 CO 0.11 0.85 -0.02 0.82 -1.16 0.00 0.00 179.01 179.61 1oze h ILE 65 N 0.07 1.26 0.00 3.13 2.04 -1.07 -1.66 117.51 121.29 1oze h ILE 65 Ca -0.02 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 1oze h ILE 65 Cb 1.38 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1oze h ILE 65 CO 0.11 0.35 -0.16 -0.33 0.00 0.00 0.00 178.15 178.13 1oze h GLU 66 N 0.53 0.00 -0.06 2.37 4.39 -1.17 0.47 114.58 121.10 1oze h GLU 66 Ca 0.11 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.62 1oze h GLU 66 Cb 0.50 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1oze h GLU 66 CO 0.02 0.16 -0.69 -0.09 -1.16 0.00 0.00 179.01 177.25 1oze h ARG 67 N 0.00 0.58 -0.38 2.33 2.43 -0.85 -3.34 114.38 115.14 1oze h ARG 67 Ca -0.00 -0.54 -0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1oze h ARG 67 Cb 0.38 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1oze h ARG 67 CO 0.02 1.16 0.00 0.09 -1.51 0.00 0.00 179.97 179.73 1oze n ASN 68 N -4.10 4.59 0.26 -3.80 4.13 -0.67 -4.68 115.26 110.98 1oze n ASN 68 Ca -0.09 -3.00 0.11 0.00 1.68 0.00 0.00 54.58 53.28 1oze n ASN 68 Cb 0.70 -0.60 0.69 0.00 -1.54 0.00 0.00 39.78 39.03 1oze n ASN 68 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1oze h LYS 69 N 2.62 0.00 0.00 3.52 2.10 -1.04 -2.73 116.57 121.05 1oze h LYS 69 Ca 0.00 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.47 1oze h LYS 69 Cb 1.66 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.96 1oze h LYS 69 CO 0.33 0.12 -1.16 0.93 -2.00 0.00 0.00 179.45 177.68 1oze h GLU 70 N 0.00 0.00 -6.83 0.07 4.39 -1.87 -3.25 114.58 107.10 1oze h GLU 70 Ca -0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 1oze h GLU 70 Cb 0.30 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 29.03 1oze h GLU 70 CO 0.02 0.51 0.79 0.45 -1.16 0.00 0.00 179.01 179.62 1oze s SER 71 N -6.18 6.50 0.11 1.42 0.15 -1.03 -4.71 113.70 109.95 1oze s SER 71 Ca -0.01 2.86 0.08 0.00 0.70 0.00 0.00 55.95 59.58 1oze s SER 71 Cb 0.08 -2.64 0.42 0.00 -1.71 0.00 0.00 66.02 62.18 1oze s SER 71 CO 0.80 -0.79 1.25 -0.81 1.20 0.00 0.00 173.24 174.89 1oze n PRO 72 N 1.63 0.05 0.00 5.44 -0.04 -1.26 -0.72 135.00 140.10 1oze n PRO 72 Ca 0.05 0.52 0.14 0.00 -0.04 0.00 0.00 63.50 64.17 1oze n PRO 72 Cb 0.39 -1.65 0.63 0.00 -0.04 0.00 0.00 33.50 32.83 1oze n PRO 72 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1oze n VAL 73 N -1.75 0.05 0.00 0.52 0.24 -1.26 -4.39 118.33 111.73 1oze n VAL 73 Ca -0.00 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1oze n VAL 73 Cb 0.03 -0.52 0.00 0.00 -1.47 0.00 0.00 33.84 31.87 1oze n VAL 73 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1oze n PHE 74 N -1.47 0.00 -0.30 6.34 7.35 -0.43 -4.74 117.46 124.21 1oze n PHE 74 Ca 0.08 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.83 1oze n PHE 74 Cb 0.32 0.00 0.13 0.00 0.35 0.00 0.00 39.48 40.28 1oze n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1oze n ALA 75 N -0.75 0.23 0.13 3.13 0.00 0.11 0.36 120.51 123.71 1oze n ALA 75 Ca 0.00 0.92 0.19 0.00 0.00 0.00 0.00 53.44 54.56 1oze n ALA 75 Cb 0.00 -0.57 0.75 0.00 0.00 0.00 0.00 19.45 19.64 1oze n ALA 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1oze h PRO 76 N 0.00 0.00 -0.21 0.00 0.11 -1.84 -0.58 132.00 129.48 1oze h PRO 76 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1oze h PRO 76 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1oze h PRO 76 CO -0.86 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.26 1oze n VAL 77 N -3.60 1.69 -2.66 3.15 0.24 0.16 -4.76 118.33 112.54 1oze n VAL 77 Ca 0.06 -1.58 -0.42 0.00 -2.04 0.00 0.00 64.34 60.35 1oze n VAL 77 Cb 0.58 0.06 -0.03 0.00 -1.47 0.00 0.00 33.84 32.98 1oze n VAL 77 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1oze s TYR 78 N -2.08 2.65 -0.49 6.34 5.04 -0.23 -4.92 117.35 123.66 1oze s TYR 78 Ca 0.30 0.27 0.07 0.00 -2.44 0.00 0.00 57.07 55.26 1oze s TYR 78 Cb 0.22 -4.39 0.24 0.00 0.35 0.00 0.00 41.96 38.38 1oze s TYR 78 CO 0.09 -1.54 0.59 1.19 -1.34 0.00 0.00 175.55 174.53 1oze n PHE 79 N 8.19 1.15 0.18 4.97 3.72 -1.26 -5.01 117.46 129.40 1oze n PHE 79 Ca 0.06 -3.78 -0.16 0.00 -0.05 0.00 0.00 57.45 53.52 1oze n PHE 79 Cb 0.49 -0.39 -0.08 0.00 -0.94 0.00 0.00 39.48 38.55 1oze n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1oze h PRO 80 N 4.23 -0.73 -0.74 -1.08 0.13 -1.97 -1.68 132.00 130.17 1oze h PRO 80 Ca 0.13 0.05 0.01 0.00 -0.87 0.00 0.00 66.00 65.33 1oze h PRO 80 Cb 0.80 0.17 -0.04 0.00 0.13 0.00 0.00 31.00 32.06 1oze h PRO 80 CO 0.60 -0.49 0.48 0.93 -0.23 0.00 0.00 178.00 179.29 1oze h GLU 81 N -0.76 0.94 -0.24 0.86 4.39 -1.95 0.75 114.58 118.56 1oze h GLU 81 Ca -0.01 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.51 1oze h GLU 81 Cb 0.73 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1oze h GLU 81 CO -0.17 0.62 -0.38 0.93 -1.16 0.00 0.00 179.01 178.85 1oze h GLU 82 N 0.97 0.54 0.00 2.33 3.07 -1.81 -3.40 114.58 116.28 1oze h GLU 82 Ca 0.28 -0.26 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1oze h GLU 82 Cb -0.07 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 1oze h GLU 82 CO -0.07 0.83 -1.04 1.28 -1.40 0.00 0.00 179.01 178.61 1oze n LEU 83 N -4.04 0.02 -4.59 1.33 4.77 -0.64 -4.64 117.00 109.21 1oze n LEU 83 Ca -0.01 -0.06 -0.51 0.00 -0.03 0.00 0.00 56.01 55.39 1oze n LEU 83 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1oze n LEU 83 CO 0.44 0.01 0.89 0.00 -1.33 0.00 0.00 177.39 177.40 1oze n HIS 84 N -1.56 1.53 0.13 -1.77 1.44 0.24 -4.89 115.22 110.34 1oze n HIS 84 Ca -0.00 0.62 0.02 0.00 -2.01 0.00 0.00 57.72 56.35 1oze n HIS 84 Cb 0.09 -2.34 -0.03 0.00 0.12 0.00 0.00 29.99 27.84 1oze n HIS 84 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1oze n ARG 85 N 2.46 3.68 -0.09 -1.40 5.12 -1.26 -4.79 116.66 120.37 1oze n ARG 85 Ca 0.18 -0.01 -0.06 0.00 -1.93 0.00 0.00 57.85 56.02 1oze n ARG 85 Cb 0.20 -0.84 0.00 0.00 -1.16 0.00 0.00 32.46 30.67 1oze n ARG 85 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1oze h LYS 86 N 0.00 -0.08 -0.70 5.56 3.64 -1.90 -1.09 116.57 122.01 1oze h LYS 86 Ca 0.00 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1oze h LYS 86 Cb 0.14 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1oze h LYS 86 CO 0.00 -0.05 0.44 0.00 -2.27 0.00 0.00 179.45 177.57 1oze h ALA 87 N 1.20 0.90 -0.82 5.00 0.00 -2.00 -0.67 119.26 122.87 1oze h ALA 87 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1oze h ALA 87 Cb 0.35 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1oze h ALA 87 CO -0.40 0.24 0.38 0.00 0.00 0.00 0.00 179.25 179.48 1oze h ALA 88 N 1.28 1.06 -0.00 0.00 0.00 -1.73 -2.06 119.26 117.82 1oze h ALA 88 Ca 0.27 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1oze h ALA 88 Cb -0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1oze h ALA 88 CO -0.09 0.64 -0.56 -0.07 0.00 0.00 0.00 179.25 179.18 1oze h LEU 89 N 1.18 0.01 -0.32 0.00 3.38 -0.71 -1.68 115.31 117.16 1oze h LEU 89 Ca 0.28 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 1oze h LEU 89 Cb 0.14 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1oze h LEU 89 CO -0.03 0.56 -0.06 -0.33 0.09 0.00 0.00 178.44 178.67 1oze h GLU 90 N 0.01 0.60 0.13 1.13 5.08 -0.74 0.40 114.58 121.19 1oze h GLU 90 Ca -0.01 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1oze h GLU 90 Cb 0.98 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1oze h GLU 90 CO 0.07 0.77 -0.15 1.96 -1.00 0.00 0.00 179.01 180.66 1oze h GLN 91 N 0.38 -0.31 -0.74 2.33 1.08 -1.21 -2.04 115.11 114.60 1oze h GLN 91 Ca 0.08 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1oze h GLN 91 Cb 0.54 0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 28.00 1oze h GLN 91 CO 0.03 -0.21 0.45 -0.44 -0.95 0.00 0.00 178.83 177.71 1oze h ASP 92 N -0.32 0.88 -0.09 1.46 3.32 -1.17 -2.58 116.42 117.92 1oze h ASP 92 Ca 0.01 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1oze h ASP 92 Cb 0.32 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1oze h ASP 92 CO -0.06 0.68 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.98 1oze h LEU 93 N 1.01 0.37 -1.05 1.55 3.38 -0.78 0.72 115.31 120.50 1oze h LEU 93 Ca 0.26 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1oze h LEU 93 Cb -0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1oze h LEU 93 CO -0.05 0.50 0.03 0.00 0.09 0.00 0.00 178.44 179.01 1oze h ALA 94 N 1.54 1.22 -0.06 1.53 0.00 -0.99 0.42 119.26 122.92 1oze h ALA 94 Ca 0.07 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1oze h ALA 94 Cb 0.39 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1oze h ALA 94 CO 0.02 0.52 -0.20 0.35 0.00 0.00 0.00 179.25 179.93 1oze h PHE 95 N 0.67 0.32 -0.01 0.00 3.57 -0.98 0.94 116.94 121.45 1oze h PHE 95 Ca 0.14 -0.13 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 1oze h PHE 95 Cb 0.37 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1oze h PHE 95 CO 0.02 0.83 -0.67 -1.49 -2.23 0.00 0.00 178.31 174.77 1oze h TRP 96 N -0.28 0.06 -0.00 0.41 4.06 -0.66 -3.36 115.95 116.18 1oze h TRP 96 Ca -0.01 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.91 1oze h TRP 96 Cb 0.84 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.99 1oze h TRP 96 CO 0.13 0.70 -0.08 0.66 -3.56 0.00 0.00 178.44 176.29 1oze n TYR 97 N -3.76 0.00 0.00 0.49 4.02 0.14 -5.08 117.16 112.97 1oze n TYR 97 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1oze n TYR 97 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.98 1oze n TYR 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1oze n GLY 98 N 0.84 0.73 0.34 2.72 0.00 0.33 -4.23 105.19 105.92 1oze n GLY 98 Ca 0.01 -1.95 0.18 0.00 0.00 0.00 0.00 46.02 44.25 1oze n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oze h PRO 99 N 0.00 0.00 -0.57 1.61 0.13 -1.92 -0.62 132.00 130.64 1oze h PRO 99 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.89 1oze h PRO 99 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 1oze h PRO 99 CO 0.00 0.00 0.18 0.54 -0.23 0.00 0.00 178.00 178.49 1oze n ARG 100 N -3.39 2.48 -0.24 0.86 1.74 -1.26 -4.70 116.66 112.15 1oze n ARG 100 Ca -0.00 -3.07 0.04 0.00 -0.77 0.00 0.00 57.85 54.05 1oze n ARG 100 Cb 0.30 -1.99 0.16 0.00 -1.02 0.00 0.00 32.46 29.91 1oze n ARG 100 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1oze h TRP 101 N 1.46 0.19 -0.17 -1.55 5.08 -1.28 -0.21 115.95 119.46 1oze h TRP 101 Ca 0.29 0.04 0.05 0.00 1.08 0.00 0.00 58.89 60.36 1oze h TRP 101 Cb 2.05 0.03 -0.01 0.00 -3.00 0.00 0.00 29.16 28.23 1oze h TRP 101 CO 1.13 -0.11 0.18 0.37 -1.28 0.00 0.00 178.44 178.74 1oze h GLN 102 N 0.23 0.00 0.00 0.12 4.15 -1.85 0.12 115.11 117.88 1oze h GLN 102 Ca 0.39 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.81 1oze h GLN 102 Cb 0.66 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.35 1oze h GLN 102 CO -0.52 0.00 -0.81 0.93 -1.93 0.00 0.00 178.83 176.50 1oze h GLU 103 N 0.00 0.00 0.00 1.69 5.08 -1.41 -3.40 114.58 116.54 1oze h GLU 103 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1oze h GLU 103 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1oze h GLU 103 CO -0.00 0.00 -1.09 1.33 -1.00 0.00 0.00 179.01 178.25 1oze n VAL 104 N -2.43 0.00 -1.73 3.13 0.24 -0.12 -5.03 118.33 112.39 1oze n VAL 104 Ca 0.02 -0.15 -0.39 0.00 -2.04 0.00 0.00 64.34 61.77 1oze n VAL 104 Cb 0.50 0.47 0.04 0.00 -1.47 0.00 0.00 33.84 33.38 1oze n VAL 104 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1oze n ILE 105 N -1.59 3.62 -1.78 1.34 -5.35 0.24 -4.96 119.36 110.88 1oze n ILE 105 Ca -0.01 -0.50 -0.31 0.00 -0.27 0.00 0.00 62.75 61.67 1oze n ILE 105 Cb 0.12 -1.64 0.03 0.00 -1.74 0.00 0.00 39.64 36.41 1oze n ILE 105 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1oze s PRO 106 N -2.77 3.14 -0.34 6.28 0.04 -1.26 -5.03 135.00 135.06 1oze s PRO 106 Ca 0.70 0.72 -0.01 0.00 0.04 0.00 0.00 61.00 62.45 1oze s PRO 106 Cb -0.43 -2.03 0.13 0.00 0.04 0.00 0.00 34.50 32.21 1oze s PRO 106 CO 0.51 -0.89 0.19 -0.47 0.04 0.00 0.00 177.00 176.37 1oze s TYR 107 N -3.19 0.71 0.46 0.56 5.04 -1.26 -4.87 117.35 114.80 1oze s TYR 107 Ca 0.57 -1.47 -0.05 0.00 -2.44 0.00 0.00 57.07 53.68 1oze s TYR 107 Cb -0.12 -0.99 -0.04 0.00 0.35 0.00 0.00 41.96 41.16 1oze s TYR 107 CO 0.54 -0.83 0.76 0.95 -1.34 0.00 0.00 175.55 175.62 1oze s THR 108 N 1.33 4.92 0.26 4.34 -4.23 -1.26 -4.89 115.64 116.12 1oze s THR 108 Ca 0.15 0.16 -0.03 0.00 -1.18 0.00 0.00 61.69 60.80 1oze s THR 108 Cb -0.21 -3.85 0.28 0.00 1.34 0.00 0.00 72.50 70.06 1oze s THR 108 CO -0.10 -0.79 1.65 -0.65 -0.54 0.00 0.00 174.62 174.20 1oze h PRO 109 N 0.39 0.19 -0.52 3.99 0.11 -2.01 0.95 132.00 135.10 1oze h PRO 109 Ca -0.47 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1oze h PRO 109 Cb 1.20 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1oze h PRO 109 CO 0.62 0.12 -0.07 0.00 -0.21 0.00 0.00 178.00 178.46 1oze h ALA 110 N 1.71 0.90 -0.27 -0.75 0.00 -1.94 0.58 119.26 119.50 1oze h ALA 110 Ca 0.47 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1oze h ALA 110 Cb 0.87 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1oze h ALA 110 CO -0.62 0.64 0.12 0.52 0.00 0.00 0.00 179.25 179.91 1oze h MET 111 N 0.84 0.39 -0.76 0.00 2.86 -1.38 -2.84 114.93 114.03 1oze h MET 111 Ca 0.14 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1oze h MET 111 Cb 0.59 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.15 1oze h MET 111 CO 0.04 0.39 0.48 0.37 1.06 0.00 0.00 176.91 179.25 1oze h GLN 112 N 0.30 1.02 -0.96 1.72 4.15 -0.54 -1.38 115.11 119.42 1oze h GLN 112 Ca 0.09 -0.08 0.06 0.00 0.77 0.00 0.00 58.65 59.50 1oze h GLN 112 Cb 0.13 -0.22 -0.06 0.00 0.21 0.00 0.00 27.48 27.54 1oze h GLN 112 CO -0.01 0.70 0.61 0.00 -1.93 0.00 0.00 178.83 178.20 1oze h ARG 113 N 1.03 1.09 0.23 1.69 3.08 -0.77 0.42 114.38 121.15 1oze h ARG 113 Ca 0.28 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1oze h ARG 113 Cb -0.08 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.73 1oze h ARG 113 CO -0.06 0.72 -0.11 -0.92 -1.07 0.00 0.00 179.97 178.54 1oze h TYR 114 N 1.12 -0.28 -0.75 3.04 5.03 -1.19 -2.21 116.97 121.73 1oze h TYR 114 Ca 0.41 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.83 1oze h TYR 114 Cb 0.16 0.09 -0.08 0.00 1.55 0.00 0.00 36.73 38.45 1oze h TYR 114 CO -0.01 0.01 0.36 0.28 -1.32 0.00 0.00 178.16 177.48 1oze h VAL 115 N -0.56 0.79 -0.11 1.81 2.07 -0.74 -1.53 116.25 117.98 1oze h VAL 115 Ca -0.03 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1oze h VAL 115 Cb 0.41 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1oze h VAL 115 CO 0.05 0.11 0.03 0.50 0.02 0.00 0.00 177.57 178.27 1oze h LYS 116 N 0.58 0.07 -0.92 1.57 3.64 -0.10 -2.26 116.57 119.15 1oze h LYS 116 Ca 0.38 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 1oze h LYS 116 Cb 0.47 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1oze h LYS 116 CO -0.31 0.05 0.52 -0.09 -2.27 0.00 0.00 179.45 177.35 1oze h ARG 117 N 0.07 1.27 -0.33 1.90 9.65 -0.75 -0.98 114.38 125.21 1oze h ARG 117 Ca 0.05 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1oze h ARG 117 Cb 0.03 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.34 1oze h ARG 117 CO -0.06 0.91 0.22 -0.07 2.80 0.00 0.00 179.97 183.77 1oze h LEU 118 N 1.28 0.38 -0.83 3.80 3.38 -1.01 -0.46 115.31 121.85 1oze h LEU 118 Ca 0.32 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.18 1oze h LEU 118 Cb -0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1oze h LEU 118 CO -0.06 0.28 -0.22 0.45 0.09 0.00 0.00 178.44 178.98 1oze h HIS 119 N 0.45 0.71 0.26 1.13 3.86 -1.14 -1.42 115.15 119.01 1oze h HIS 119 Ca 0.12 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1oze h HIS 119 Cb -0.05 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.25 1oze h HIS 119 CO -0.05 0.80 -0.13 1.49 0.86 0.00 0.00 177.93 180.90 1oze h GLU 120 N 0.56 -0.34 0.18 2.45 4.81 -0.84 0.23 114.58 121.63 1oze h GLU 120 Ca 0.08 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1oze h GLU 120 Cb 0.68 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1oze h GLU 120 CO 0.05 -0.17 -0.13 0.28 -0.73 0.00 0.00 179.01 178.30 1oze h VAL 121 N -0.43 0.71 0.00 0.32 2.07 -1.00 0.32 116.25 118.24 1oze h VAL 121 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1oze h VAL 121 Cb 0.33 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1oze h VAL 121 CO 0.06 0.00 0.00 1.23 0.02 0.00 0.00 177.57 178.88 1oze h GLY 122 N -0.32 0.00 0.37 2.17 0.00 -1.22 0.38 103.07 104.45 1oze h GLY 122 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.95 1oze h GLY 122 CO -0.00 0.00 -2.18 -2.13 0.00 0.00 0.00 176.54 172.22 1oze n ARG 123 N -2.99 0.70 -0.01 4.80 0.63 0.06 -4.41 116.66 115.44 1oze n ARG 123 Ca -0.01 0.20 0.01 0.00 -0.92 0.00 0.00 57.85 57.12 1oze n ARG 123 Cb 0.17 -1.63 -0.04 0.00 0.45 0.00 0.00 32.46 31.41 1oze n ARG 123 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1oze n THR 124 N -3.28 0.15 -2.93 5.15 -2.24 0.10 -4.83 114.28 106.42 1oze n THR 124 Ca -0.35 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.12 1oze n THR 124 Cb 1.04 -0.15 0.01 0.00 -2.10 0.00 0.00 70.33 69.13 1oze n THR 124 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1oze n GLU 125 N -1.91 1.05 0.29 -0.78 0.28 0.05 -4.94 120.64 114.68 1oze n GLU 125 Ca -0.04 -3.15 0.11 0.00 -0.16 0.00 0.00 57.16 53.91 1oze n GLU 125 Cb 0.37 -1.39 0.58 0.00 1.43 0.00 0.00 31.44 32.43 1oze n GLU 125 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1oze h PRO 126 N 2.95 0.00 0.00 3.44 0.13 -0.56 0.93 132.00 138.89 1oze h PRO 126 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1oze h PRO 126 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1oze h PRO 126 CO 0.45 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.37 1oze n GLU 127 N -2.62 0.07 0.00 0.86 0.00 -1.26 -1.03 120.64 116.66 1oze n GLU 127 Ca -0.01 0.49 0.09 0.00 0.00 0.00 0.00 57.16 57.73 1oze n GLU 127 Cb 0.47 -1.69 -0.03 0.00 0.00 0.00 0.00 31.44 30.19 1oze n GLU 127 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1oze n LEU 128 N -1.83 1.58 -0.28 -1.84 4.77 0.32 -4.46 117.00 115.25 1oze n LEU 128 Ca 0.00 -0.70 0.10 0.00 -0.03 0.00 0.00 56.01 55.38 1oze n LEU 128 Cb 0.07 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.50 1oze n LEU 128 CO 0.08 0.31 1.22 0.25 -1.33 0.00 0.00 177.39 177.92 1oze h LEU 129 N 1.59 0.73 -1.82 2.23 5.85 -1.24 0.01 115.31 122.67 1oze h LEU 129 Ca 0.00 0.04 0.19 0.00 0.84 0.00 0.00 57.88 58.94 1oze h LEU 129 Cb 0.58 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1oze h LEU 129 CO 0.00 0.39 0.51 1.62 -0.34 0.00 0.00 178.44 180.62 1oze h VAL 130 N 0.78 0.70 -0.68 1.05 3.04 -1.78 0.38 116.25 119.73 1oze h VAL 130 Ca 0.44 -0.06 -0.08 0.00 -1.01 0.00 0.00 66.70 66.00 1oze h VAL 130 Cb 0.60 0.51 -0.03 0.00 -2.01 0.00 0.00 31.29 30.36 1oze h VAL 130 CO -0.20 0.03 0.13 0.00 -1.01 0.00 0.00 177.57 176.51 1oze h ALA 131 N 1.65 0.93 0.01 3.17 0.00 -1.28 -1.49 119.26 122.24 1oze h ALA 131 Ca 0.36 -0.27 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 1oze h ALA 131 Cb 1.17 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1oze h ALA 131 CO -0.06 0.67 -0.93 0.45 0.00 0.00 0.00 179.25 179.38 1oze h HIS 132 N 1.05 0.51 0.12 0.00 -0.00 -1.03 -2.49 115.15 113.31 1oze h HIS 132 Ca 0.21 -0.28 -0.01 0.00 -0.00 0.00 0.00 60.37 60.29 1oze h HIS 132 Cb 0.42 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.78 1oze h HIS 132 CO 0.03 1.10 -0.06 0.00 -0.00 0.00 0.00 177.93 179.01 1oze h ALA 133 N 0.80 -0.16 -0.52 2.45 0.00 -1.14 -0.51 119.26 120.19 1oze h ALA 133 Ca -0.07 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1oze h ALA 133 Cb 1.57 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.35 1oze h ALA 133 CO 0.16 -0.48 0.14 -0.92 0.00 0.00 0.00 179.25 178.15 1oze h TYR 134 N -0.38 0.24 0.21 0.00 3.20 -1.35 0.67 116.97 119.56 1oze h TYR 134 Ca -0.02 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1oze h TYR 134 Cb 0.31 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1oze h TYR 134 CO 0.00 0.04 -0.17 1.15 -1.64 0.00 0.00 178.16 177.54 1oze h THR 135 N 0.30 0.62 0.41 1.81 2.02 -1.25 -2.30 112.91 114.52 1oze h THR 135 Ca 0.26 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.42 1oze h THR 135 Cb 0.32 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1oze h THR 135 CO -0.30 0.00 -0.19 0.03 0.37 0.00 0.00 175.52 175.43 1oze h ARG 136 N -0.40 -0.52 0.43 6.66 2.47 -0.80 -3.16 114.38 119.05 1oze h ARG 136 Ca -0.01 0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1oze h ARG 136 Cb 0.36 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 1oze h ARG 136 CO -0.02 -0.35 -0.21 1.88 0.56 0.00 0.00 179.97 181.83 1oze h TYR 137 N -0.93 -0.54 0.00 3.04 0.05 -0.98 0.13 116.97 117.74 1oze h TYR 137 Ca -0.06 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.66 1oze h TYR 137 Cb 0.42 0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 1oze h TYR 137 CO 0.03 -0.33 -0.22 -0.07 -1.05 0.00 0.00 178.16 176.51 1oze h LEU 138 N -0.59 0.00 -0.14 3.88 3.38 -1.56 -0.43 115.31 119.86 1oze h LEU 138 Ca -0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1oze h LEU 138 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1oze h LEU 138 CO 0.10 0.22 -0.11 1.23 0.09 0.00 0.00 178.44 179.97 1oze h GLY 139 N 1.04 0.35 1.05 0.83 0.00 -1.47 -1.86 103.07 103.02 1oze h GLY 139 Ca -0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1oze h GLY 139 CO 0.03 0.31 0.39 0.00 0.00 0.00 0.00 176.54 177.26 1oze h ALA 140 N 0.63 1.10 0.00 3.60 0.00 -0.56 -1.00 119.26 123.02 1oze h ALA 140 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1oze h ALA 140 Cb 0.62 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1oze h ALA 140 CO 0.03 0.67 0.00 -0.07 0.00 0.00 0.00 179.25 179.88 1oze h LEU 141 N 1.20 0.00 0.00 0.00 -0.00 -1.03 0.40 115.31 115.88 1oze h LEU 141 Ca 0.29 0.00 -0.41 0.00 -0.00 0.00 0.00 57.88 57.75 1oze h LEU 141 Cb 0.14 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.74 1oze h LEU 141 CO -0.03 0.00 -2.40 -1.20 -0.00 0.00 0.00 178.44 174.81 1oze n SER 142 N -2.49 1.85 -0.54 -0.43 7.64 -0.71 -4.62 113.62 114.33 1oze n SER 142 Ca 0.02 0.23 0.11 0.00 1.01 0.00 0.00 58.87 60.24 1oze n SER 142 Cb 0.30 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1oze n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1oze n GLY 143 N 1.60 0.12 0.46 0.23 0.00 -0.43 -4.62 105.19 102.56 1oze n GLY 143 Ca -0.48 -0.65 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 1oze n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1oze h GLY 144 N 4.82 -1.13 0.44 -0.02 0.00 -1.00 -2.09 103.07 104.08 1oze h GLY 144 Ca 0.00 0.52 0.13 0.00 0.00 0.00 0.00 47.33 47.98 1oze h GLY 144 CO 0.00 -0.36 0.62 1.46 0.00 0.00 0.00 176.54 178.26 1oze h GLN 145 N -0.95 0.91 0.42 4.80 1.08 -1.82 0.82 115.11 120.36 1oze h GLN 145 Ca -0.06 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 1oze h GLN 145 Cb 0.82 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1oze h GLN 145 CO -0.04 0.60 -0.20 0.28 -0.95 0.00 0.00 178.83 178.52 1oze h VAL 146 N 0.93 0.59 -0.06 -0.54 2.07 -1.81 -2.64 116.25 114.80 1oze h VAL 146 Ca 0.50 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.88 1oze h VAL 146 Cb 0.57 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1oze h VAL 146 CO -0.27 0.02 -0.08 -0.07 0.02 0.00 0.00 177.57 177.19 1oze h LEU 147 N -0.63 0.08 0.61 2.57 3.38 -0.80 -2.25 115.31 118.28 1oze h LEU 147 Ca -0.06 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1oze h LEU 147 Cb 0.47 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.20 1oze h LEU 147 CO 0.09 0.18 -0.29 0.50 0.09 0.00 0.00 178.44 179.02 1oze h LYS 148 N 0.09 -0.79 -0.53 1.13 3.64 -0.62 -0.79 116.57 118.70 1oze h LYS 148 Ca 0.02 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1oze h LYS 148 Cb 0.21 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1oze h LYS 148 CO 0.01 -0.50 0.31 0.87 -2.27 0.00 0.00 179.45 177.87 1oze h LYS 149 N -0.89 0.72 -0.13 1.90 1.57 -1.34 0.52 116.57 118.91 1oze h LYS 149 Ca -0.08 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1oze h LYS 149 Cb 0.65 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1oze h LYS 149 CO 0.14 0.51 0.07 0.82 -0.57 0.00 0.00 179.45 180.43 1oze h ILE 150 N 0.73 1.09 -0.48 1.86 2.04 -1.24 -2.56 117.51 118.96 1oze h ILE 150 Ca 0.19 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 1oze h ILE 150 Cb -0.01 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1oze h ILE 150 CO -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 178.15 178.16 1oze h ALA 151 N 0.98 1.04 -0.64 1.87 0.00 -0.48 -2.30 119.26 119.74 1oze h ALA 151 Ca 0.05 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1oze h ALA 151 Cb 0.06 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1oze h ALA 151 CO -0.01 0.59 0.34 1.96 0.00 0.00 0.00 179.25 182.14 1oze h GLN 152 N 0.76 0.62 -0.26 0.00 4.20 -0.66 0.22 115.11 119.98 1oze h GLN 152 Ca 0.14 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.69 1oze h GLN 152 Cb 0.50 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1oze h GLN 152 CO 0.03 0.41 -0.33 -0.22 -0.67 0.00 0.00 178.83 178.05 1oze h LYS 153 N 0.64 0.68 -0.21 1.46 3.64 -1.31 -3.04 116.57 118.43 1oze h LYS 153 Ca 0.29 -0.38 -0.18 0.00 -1.27 0.00 0.00 60.65 59.10 1oze h LYS 153 Cb 0.19 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1oze h LYS 153 CO -0.18 1.00 -0.58 0.00 -2.27 0.00 0.00 179.45 177.41 1oze h ALA 154 N 0.67 0.58 0.00 5.00 0.00 -1.07 -3.32 119.26 121.12 1oze h ALA 154 Ca 0.03 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1oze h ALA 154 Cb 0.91 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1oze h ALA 154 CO 0.08 0.69 -0.30 -0.07 0.00 0.00 0.00 179.25 179.65 1oze h LEU 155 N 0.50 0.00 -3.28 0.00 3.38 -0.66 -3.48 115.31 111.77 1oze h LEU 155 Ca 0.00 -0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1oze h LEU 155 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1oze h LEU 155 CO 0.12 0.00 -0.97 0.47 0.09 0.00 0.00 178.44 178.15 1oze n ASP 156 N -2.96 -3.75 -4.74 -0.43 8.00 -1.15 -4.88 116.55 106.65 1oze n ASP 156 Ca 0.03 -1.16 -0.33 0.00 0.71 0.00 0.00 54.79 54.04 1oze n ASP 156 Cb 0.53 -2.48 0.08 0.00 -0.02 0.00 0.00 41.12 39.24 1oze n ASP 156 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1oze s LEU 157 N -7.03 3.30 0.77 0.64 1.43 -1.26 -5.01 118.68 111.53 1oze s LEU 157 Ca 0.39 2.19 -0.11 0.00 -1.03 0.00 0.00 54.13 55.57 1oze s LEU 157 Cb -0.18 -4.57 0.05 0.00 0.03 0.00 0.00 46.19 41.52 1oze s LEU 157 CO 0.92 -2.07 1.08 -2.16 0.23 0.00 0.00 176.35 174.35 1oze s PRO 158 N -4.06 2.29 -1.38 1.29 0.04 -1.26 -4.89 135.00 127.02 1oze s PRO 158 Ca 0.71 0.92 -0.07 0.00 0.04 0.00 0.00 61.00 62.59 1oze s PRO 158 Cb -0.25 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.41 1oze s PRO 158 CO 0.45 -1.55 2.61 -1.13 0.04 0.00 0.00 177.00 177.42 1oze n SER 159 N -3.43 8.21 -0.97 6.66 3.41 -1.26 -4.47 113.62 121.78 1oze n SER 159 Ca 0.08 -2.94 0.08 0.00 -0.26 0.00 0.00 58.87 55.82 1oze n SER 159 Cb 0.54 -1.42 0.23 0.00 -0.26 0.00 0.00 64.21 63.30 1oze n SER 159 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1oze n SER 160 N 2.33 3.54 -2.71 4.04 3.41 -1.26 -5.00 113.62 117.96 1oze n SER 160 Ca 0.67 -2.17 -0.20 0.00 -0.26 0.00 0.00 58.87 56.91 1oze n SER 160 Cb 0.26 -0.38 0.01 0.00 -0.26 0.00 0.00 64.21 63.84 1oze n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oze n GLY 161 N 0.76 -0.51 3.33 5.00 0.00 -1.26 -4.99 105.19 107.52 1oze n GLY 161 Ca 0.18 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 1oze n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oze s GLU 162 N -5.36 1.19 0.00 1.61 2.02 -1.26 -4.97 118.70 111.93 1oze s GLU 162 Ca 0.14 -1.27 0.00 0.00 0.02 0.00 0.00 54.97 53.86 1oze s GLU 162 Cb -0.07 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.52 1oze s GLU 162 CO 0.18 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.44 1oze n GLY 163 N -0.23 1.93 0.48 -1.39 0.00 -1.26 -4.93 105.19 99.79 1oze n GLY 163 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.01 1oze n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oze n LEU 164 N 0.00 0.93 -0.05 0.99 4.77 -1.26 -4.83 117.00 117.55 1oze n LEU 164 Ca 0.00 -1.86 0.11 0.00 -0.03 0.00 0.00 56.01 54.23 1oze n LEU 164 Cb 0.00 -0.15 0.51 0.00 -2.33 0.00 0.00 43.42 41.45 1oze n LEU 164 CO 0.00 0.47 1.18 0.00 -1.33 0.00 0.00 177.39 177.71 1oze h ALA 165 N 0.15 2.02 -0.91 -1.18 0.00 -1.92 -1.94 119.26 115.48 1oze h ALA 165 Ca -0.02 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.07 1oze h ALA 165 Cb 1.31 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1oze h ALA 165 CO 0.01 -0.13 0.60 0.35 0.00 0.00 0.00 179.25 180.08 1oze h PHE 166 N 0.37 0.59 0.00 0.00 3.57 -1.88 -1.34 116.94 118.26 1oze h PHE 166 Ca 0.25 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1oze h PHE 166 Cb 0.49 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1oze h PHE 166 CO -0.00 0.16 0.00 1.19 -2.23 0.00 0.00 178.31 177.43 1oze n PHE 167 N -4.53 0.00 -4.40 0.41 3.72 -0.73 -4.74 117.46 107.19 1oze n PHE 167 Ca 0.20 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.33 1oze n PHE 167 Cb 0.68 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 39.05 1oze n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1oze s THR 168 N -2.00 1.21 -0.77 4.37 2.01 -0.50 -4.62 115.64 115.34 1oze s THR 168 Ca 0.20 -0.48 -0.11 0.00 0.31 0.00 0.00 61.69 61.60 1oze s THR 168 Cb 0.09 -1.13 0.20 0.00 0.01 0.00 0.00 72.50 71.67 1oze s THR 168 CO 0.15 0.38 0.67 -0.36 -0.69 0.00 0.00 174.62 174.77 1oze s PHE 169 N 0.99 3.65 0.39 4.92 0.40 -1.26 -4.94 117.98 122.13 1oze s PHE 169 Ca -0.08 -2.18 0.07 0.00 -0.60 0.00 0.00 56.93 54.14 1oze s PHE 169 Cb -0.15 -3.65 0.81 0.00 0.51 0.00 0.00 43.02 40.54 1oze s PHE 169 CO -0.00 -0.95 2.01 -1.00 0.70 0.00 0.00 175.22 175.98 1oze h PRO 170 N 7.60 0.63 -0.39 0.24 0.13 -1.94 -2.64 132.00 135.63 1oze h PRO 170 Ca 0.06 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1oze h PRO 170 Cb 1.02 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1oze h PRO 170 CO 0.75 0.42 0.00 0.09 -0.23 0.00 0.00 178.00 179.02 1oze n ASN 171 N -4.47 0.91 -3.89 1.44 5.03 -1.26 -4.62 115.26 108.40 1oze n ASN 171 Ca 0.07 -2.04 -0.30 0.00 0.87 0.00 0.00 54.58 53.18 1oze n ASN 171 Cb 0.14 -0.22 -0.16 0.00 -1.02 0.00 0.00 39.78 38.52 1oze n ASN 171 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1oze s ILE 172 N -1.65 1.28 -0.03 2.41 1.01 -1.00 -4.68 121.20 118.55 1oze s ILE 172 Ca 0.07 -1.03 -0.26 0.00 0.00 0.00 0.00 60.65 59.43 1oze s ILE 172 Cb 0.04 -1.59 -0.21 0.00 0.01 0.00 0.00 42.46 40.72 1oze s ILE 172 CO 0.04 -0.10 1.23 0.00 0.00 0.00 0.00 174.94 176.11 1oze h ALA 173 N 8.03 0.01 -3.30 9.38 0.00 -1.84 -3.43 119.26 128.12 1oze h ALA 173 Ca -0.18 -0.27 -0.64 0.00 0.00 0.00 0.00 54.91 53.81 1oze h ALA 173 Cb 1.09 -0.00 -0.36 0.00 0.00 0.00 0.00 17.79 18.51 1oze h ALA 173 CO 0.40 -0.21 -0.83 0.45 0.00 0.00 0.00 179.25 179.05 1oze s SER 174 N -5.76 3.34 0.34 0.00 0.15 -1.26 -4.99 113.70 105.52 1oze s SER 174 Ca -0.16 -0.80 0.04 0.00 0.70 0.00 0.00 55.95 55.73 1oze s SER 174 Cb 0.01 -1.38 0.68 0.00 -1.71 0.00 0.00 66.02 63.62 1oze s SER 174 CO 0.68 -0.08 1.94 0.00 1.20 0.00 0.00 173.24 176.98 1oze h ALA 175 N 7.94 1.65 -0.01 5.45 0.00 -1.94 -1.41 119.26 130.94 1oze h ALA 175 Ca -0.36 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1oze h ALA 175 Cb 1.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1oze h ALA 175 CO 0.55 0.22 -0.00 1.15 0.00 0.00 0.00 179.25 181.17 1oze h THR 176 N 0.84 1.28 -0.38 0.00 2.02 -1.94 -0.69 112.91 114.04 1oze h THR 176 Ca 0.35 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1oze h THR 176 Cb 0.27 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 1oze h THR 176 CO -0.12 0.22 0.20 0.11 0.37 0.00 0.00 175.52 176.29 1oze h LYS 177 N -0.33 0.51 -0.10 6.66 1.57 -1.89 -1.78 116.57 121.21 1oze h LYS 177 Ca 0.00 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 1oze h LYS 177 Cb 0.35 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.56 1oze h LYS 177 CO 0.00 0.39 -0.51 0.35 -0.57 0.00 0.00 179.45 179.11 1oze h PHE 178 N 0.52 0.72 -0.38 -1.35 3.57 -1.16 -2.95 116.94 115.91 1oze h PHE 178 Ca 0.13 -0.32 0.02 0.00 3.53 0.00 0.00 57.97 61.34 1oze h PHE 178 Cb 0.03 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1oze h PHE 178 CO 0.00 1.10 0.25 0.87 -2.23 0.00 0.00 178.31 178.30 1oze h LYS 179 N 0.14 0.43 0.04 1.11 1.57 -0.73 -0.19 116.57 118.95 1oze h LYS 179 Ca -0.03 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1oze h LYS 179 Cb 1.16 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1oze h LYS 179 CO 0.11 0.29 -0.02 1.96 -0.57 0.00 0.00 179.45 181.21 1oze h GLN 180 N 0.45 -0.05 -0.54 3.15 4.20 -1.31 -2.01 115.11 118.99 1oze h GLN 180 Ca 0.15 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 1oze h GLN 180 Cb 0.04 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1oze h GLN 180 CO -0.03 0.28 0.26 1.25 -0.67 0.00 0.00 178.83 179.91 1oze h LEU 181 N -0.39 0.68 -0.24 1.46 5.85 -1.26 -1.76 115.31 119.66 1oze h LEU 181 Ca -0.01 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1oze h LEU 181 Cb 0.35 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1oze h LEU 181 CO 0.01 0.58 -0.01 0.22 -0.34 0.00 0.00 178.44 178.90 1oze h TYR 182 N 0.76 0.46 -0.96 1.25 3.20 -0.94 -0.48 116.97 120.26 1oze h TYR 182 Ca 0.19 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.98 1oze h TYR 182 Cb 0.08 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 1oze h TYR 182 CO 0.01 0.61 0.62 0.00 -1.64 0.00 0.00 178.16 177.75 1oze h ARG 183 N 0.19 1.27 0.17 1.82 3.08 -1.14 0.16 114.38 119.93 1oze h ARG 183 Ca 0.07 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.04 1oze h ARG 183 Cb 0.43 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1oze h ARG 183 CO 0.01 0.86 -0.22 1.03 -1.07 0.00 0.00 179.97 180.58 1oze h SER 184 N 1.31 -0.61 -0.79 7.04 0.87 -1.02 0.31 113.55 120.66 1oze h SER 184 Ca 0.35 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 61.00 1oze h SER 184 Cb -0.12 0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 1oze h SER 184 CO -0.07 -0.32 0.52 0.03 -0.53 0.00 0.00 176.83 176.46 1oze h ARG 185 N -0.45 0.96 -0.42 2.24 2.47 -0.52 -2.06 114.38 116.60 1oze h ARG 185 Ca 0.01 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 1oze h ARG 185 Cb 0.44 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 1oze h ARG 185 CO -0.09 0.64 0.15 0.52 0.56 0.00 0.00 179.97 181.75 1oze h MET 186 N 0.99 0.65 0.00 0.04 2.86 0.16 -2.70 114.93 116.92 1oze h MET 186 Ca 0.31 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1oze h MET 186 Cb 0.01 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.57 1oze h MET 186 CO -0.09 0.62 0.00 0.09 1.06 0.00 0.00 176.91 178.59 1oze n ASN 187 N -4.60 0.00 -0.57 1.22 3.02 0.10 -1.91 115.26 112.52 1oze n ASN 187 Ca 0.00 0.42 0.11 0.00 -0.03 0.00 0.00 54.58 55.08 1oze n ASN 187 Cb 0.17 -0.46 0.02 0.00 -0.61 0.00 0.00 39.78 38.90 1oze n ASN 187 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1oze n SER 188 N -1.46 2.19 -4.74 6.41 3.41 -1.01 -4.85 113.62 113.58 1oze n SER 188 Ca 0.04 -1.59 -0.42 0.00 -0.26 0.00 0.00 58.87 56.64 1oze n SER 188 Cb 0.14 0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1oze n SER 188 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1oze s LEU 189 N -2.40 4.36 -0.21 1.04 2.96 -0.81 -4.97 118.68 118.65 1oze s LEU 189 Ca 0.20 2.88 -0.15 0.00 -0.22 0.00 0.00 54.13 56.84 1oze s LEU 189 Cb 0.18 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 1oze s LEU 189 CO 0.53 -0.92 0.37 -1.61 -1.32 0.00 0.00 176.35 173.40 1oze s GLU 190 N 0.22 4.15 -0.04 1.98 0.41 -1.26 -5.06 118.70 119.09 1oze s GLU 190 Ca 0.68 0.13 -0.27 0.00 -0.41 0.00 0.00 54.97 55.09 1oze s GLU 190 Cb -0.48 -3.55 0.06 0.00 -1.78 0.00 0.00 34.13 28.39 1oze s GLU 190 CO 0.41 -0.04 0.59 0.00 -0.49 0.00 0.00 175.26 175.73 1oze s MET 191 N 1.33 0.97 0.84 1.61 0.23 -1.26 -4.90 119.30 118.12 1oze s MET 191 Ca 0.17 0.15 -0.11 0.00 -1.03 0.00 0.00 55.69 54.88 1oze s MET 191 Cb -0.15 0.45 0.10 0.00 -1.53 0.00 0.00 34.83 33.71 1oze s MET 191 CO 0.08 -0.30 1.09 0.95 -2.03 0.00 0.00 175.02 174.81 1oze s THR 192 N -1.23 2.92 0.48 3.16 -4.23 -1.26 -4.78 115.64 110.71 1oze s THR 192 Ca -0.12 0.30 0.12 0.00 -1.18 0.00 0.00 61.69 60.82 1oze s THR 192 Cb -0.01 -2.75 0.27 0.00 1.34 0.00 0.00 72.50 71.34 1oze s THR 192 CO 0.09 -0.39 2.11 -0.65 -0.54 0.00 0.00 174.62 175.24 1oze h PRO 193 N -1.39 0.22 0.30 3.99 0.11 -2.02 -1.29 132.00 131.92 1oze h PRO 193 Ca -0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1oze h PRO 193 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1oze h PRO 193 CO 0.52 0.14 -0.14 0.00 -0.21 0.00 0.00 178.00 178.31 1oze h ALA 194 N 1.90 -0.40 -0.47 -0.75 0.00 -2.00 -2.68 119.26 114.86 1oze h ALA 194 Ca 0.06 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1oze h ALA 194 Cb -0.02 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 1oze h ALA 194 CO -0.01 -0.51 0.05 0.28 0.00 0.00 0.00 179.25 179.05 1oze h VAL 195 N -0.83 0.69 -0.17 0.00 2.07 -1.85 0.11 116.25 116.27 1oze h VAL 195 Ca -0.04 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1oze h VAL 195 Cb 0.52 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1oze h VAL 195 CO 0.07 0.03 0.15 -0.09 0.02 0.00 0.00 177.57 177.75 1oze h ARG 196 N 0.17 0.00 -0.19 1.57 2.43 -1.27 -0.08 114.38 117.01 1oze h ARG 196 Ca 0.23 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.19 1oze h ARG 196 Cb 0.33 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1oze h ARG 196 CO -0.34 0.00 -0.71 0.37 -1.51 0.00 0.00 179.97 177.78 1oze h GLN 197 N 0.00 0.79 -0.06 0.20 5.75 -0.43 -2.95 115.11 118.41 1oze h GLN 197 Ca 0.08 -0.60 -0.13 0.00 -0.15 0.00 0.00 58.65 57.85 1oze h GLN 197 Cb 0.38 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 1oze h GLN 197 CO -0.00 1.22 -0.56 0.00 -2.65 0.00 0.00 178.83 176.83 1oze h ARG 198 N 0.56 0.19 -0.80 1.69 3.08 -0.51 -2.32 114.38 116.27 1oze h ARG 198 Ca -0.03 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 1oze h ARG 198 Cb 1.33 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.36 1oze h ARG 198 CO 0.15 0.70 0.33 0.28 -1.07 0.00 0.00 179.97 180.36 1oze h VAL 199 N 0.14 1.26 -0.27 2.04 2.07 -1.11 0.27 116.25 120.66 1oze h VAL 199 Ca -0.00 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 1oze h VAL 199 Cb 1.04 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1oze h VAL 199 CO 0.08 0.33 -0.07 0.40 0.02 0.00 0.00 177.57 178.34 1oze h ILE 200 N 1.16 1.28 -0.85 4.57 1.08 -1.39 -2.19 117.51 121.18 1oze h ILE 200 Ca 0.27 -1.09 -0.01 0.00 -0.39 0.00 0.00 64.86 63.64 1oze h ILE 200 Cb 0.20 1.44 -0.04 0.00 -3.07 0.00 0.00 36.82 35.34 1oze h ILE 200 CO -0.02 0.34 0.47 -0.33 -0.69 0.00 0.00 178.15 177.92 1oze h GLU 201 N 0.28 1.18 -0.83 2.37 5.08 -1.06 -2.68 114.58 118.91 1oze h GLU 201 Ca 0.07 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1oze h GLU 201 Cb 0.54 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1oze h GLU 201 CO 0.03 0.86 0.54 1.49 -1.00 0.00 0.00 179.01 180.92 1oze h GLU 202 N 1.18 1.09 -1.00 2.33 4.57 -0.32 -0.08 114.58 122.36 1oze h GLU 202 Ca 0.30 -0.07 0.09 0.00 -1.18 0.00 0.00 59.36 58.50 1oze h GLU 202 Cb 0.02 -0.24 -0.08 0.00 -0.16 0.00 0.00 28.75 28.29 1oze h GLU 202 CO -0.05 0.73 0.64 0.00 -1.18 0.00 0.00 179.01 179.15 1oze h ALA 203 N 1.29 1.48 -0.06 2.92 0.00 -1.06 0.47 119.26 124.31 1oze h ALA 203 Ca 0.30 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.01 1oze h ALA 203 Cb -0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1oze h ALA 203 CO -0.06 0.32 -0.80 0.87 0.00 0.00 0.00 179.25 179.57 1oze h LYS 204 N 1.07 0.45 -0.93 0.00 1.57 -1.20 -2.80 116.57 114.72 1oze h LYS 204 Ca 0.46 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1oze h LYS 204 Cb 0.34 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 1oze h LYS 204 CO -0.22 1.04 0.54 1.15 -0.57 0.00 0.00 179.45 181.40 1oze h THR 205 N 0.29 1.26 -0.72 -0.16 2.02 0.78 -1.35 112.91 115.03 1oze h THR 205 Ca -0.05 -0.59 0.04 0.00 0.77 0.00 0.00 66.41 66.58 1oze h THR 205 Cb 1.41 -0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 1oze h THR 205 CO 0.14 0.28 0.45 0.00 0.37 0.00 0.00 175.52 176.76 1oze h ALA 206 N 1.31 0.95 -0.63 6.16 0.00 0.02 -0.74 119.26 126.32 1oze h ALA 206 Ca 0.33 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 1oze h ALA 206 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1oze h ALA 206 CO -0.06 0.22 0.06 0.74 0.00 0.00 0.00 179.25 180.21 1oze h PHE 207 N 0.87 1.15 -0.75 0.00 0.04 -1.12 -2.31 116.94 114.82 1oze h PHE 207 Ca 0.29 -0.18 -0.04 0.00 2.80 0.00 0.00 57.97 60.84 1oze h PHE 207 Cb 0.04 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.85 1oze h PHE 207 CO -0.04 0.99 0.30 -0.07 -0.60 0.00 0.00 178.31 178.88 1oze h LEU 208 N 0.98 1.04 -0.97 1.54 3.38 -0.65 0.21 115.31 120.84 1oze h LEU 208 Ca 0.19 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1oze h LEU 208 Cb 0.49 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1oze h LEU 208 CO 0.02 0.92 0.30 -0.07 0.09 0.00 0.00 178.44 179.70 1oze h LEU 209 N 1.10 0.95 -0.37 1.67 3.38 -0.91 0.20 115.31 121.33 1oze h LEU 209 Ca 0.25 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1oze h LEU 209 Cb 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1oze h LEU 209 CO -0.02 0.83 -0.29 0.78 0.09 0.00 0.00 178.44 179.83 1oze h ASN 210 N 1.02 0.90 -0.68 -0.43 2.35 -0.80 -1.27 115.58 116.66 1oze h ASN 210 Ca 0.24 -0.45 -0.07 0.00 -0.55 0.00 0.00 56.30 55.48 1oze h ASN 210 Cb 0.17 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 1oze h ASN 210 CO -0.02 1.15 0.17 0.40 -1.65 0.00 0.00 177.43 177.48 1oze h ILE 211 N 0.65 1.26 -0.46 2.81 2.04 -0.11 -0.72 117.51 122.99 1oze h ILE 211 Ca 0.07 -0.96 -0.07 0.00 1.00 0.00 0.00 64.86 64.91 1oze h ILE 211 Cb 0.87 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1oze h ILE 211 CO 0.08 0.37 0.02 1.56 0.00 0.00 0.00 178.15 180.17 1oze h GLN 212 N 1.03 0.74 -0.48 2.37 4.20 -0.48 -1.59 115.11 120.90 1oze h GLN 212 Ca 0.22 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 1oze h GLN 212 Cb 0.37 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1oze h GLN 212 CO 0.00 0.74 0.05 1.25 -0.67 0.00 0.00 178.83 180.21 1oze h LEU 213 N 0.70 0.78 -0.73 1.46 5.85 -0.82 -1.97 115.31 120.58 1oze h LEU 213 Ca 0.14 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1oze h LEU 213 Cb 0.41 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1oze h LEU 213 CO 0.01 0.86 0.38 -0.26 -0.34 0.00 0.00 178.44 179.10 1oze h PHE 214 N 0.67 1.02 -0.68 1.25 0.04 -0.67 -0.83 116.94 117.75 1oze h PHE 214 Ca 0.14 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.80 1oze h PHE 214 Cb 0.43 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 1oze h PHE 214 CO 0.03 0.73 0.14 0.93 -0.60 0.00 0.00 178.31 179.55 1oze h GLU 215 N 1.01 1.10 -0.14 1.51 5.08 -1.18 -1.33 114.58 120.63 1oze h GLU 215 Ca 0.25 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1oze h GLU 215 Cb 0.07 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1oze h GLU 215 CO -0.04 0.98 0.05 1.49 -1.00 0.00 0.00 179.01 180.50 1oze h GLU 216 N 1.04 0.21 -0.77 2.33 4.81 -0.91 -1.45 114.58 119.84 1oze h GLU 216 Ca 0.21 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1oze h GLU 216 Cb 0.40 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1oze h GLU 216 CO 0.01 0.32 0.42 -0.07 -0.73 0.00 0.00 179.01 178.96 1oze h LEU 217 N 0.06 0.94 -1.03 1.64 3.38 -1.02 -0.17 115.31 119.12 1oze h LEU 217 Ca 0.05 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1oze h LEU 217 Cb 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1oze h LEU 217 CO -0.00 0.75 0.28 -0.61 0.09 0.00 0.00 178.44 178.95 1oze h GLN 218 N 1.07 0.97 -0.03 1.13 5.75 -1.00 -1.86 115.11 121.14 1oze h GLN 218 Ca 0.27 -0.15 -0.17 0.00 -0.15 0.00 0.00 58.65 58.45 1oze h GLN 218 Cb 0.02 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.38 1oze h GLN 218 CO -0.04 0.78 -0.73 1.49 -2.65 0.00 0.00 178.83 177.68 1oze h GLU 219 N 0.96 0.20 -0.27 1.69 4.57 -0.23 -2.61 114.58 118.89 1oze h GLU 219 Ca 0.23 -0.17 -0.09 0.00 -1.18 0.00 0.00 59.36 58.15 1oze h GLU 219 Cb 0.16 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1oze h GLU 219 CO -0.02 0.84 -0.22 -0.07 -1.18 0.00 0.00 179.01 178.36 1oze h LEU 220 N 0.13 0.50 0.00 1.64 3.38 -0.52 -1.88 115.31 118.56 1oze h LEU 220 Ca -0.02 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1oze h LEU 220 Cb 1.28 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1oze h LEU 220 CO 0.11 0.72 -0.39 -0.07 0.09 0.00 0.00 178.44 178.90 1oze h LEU 221 N 0.45 0.00 -2.70 1.67 3.38 -1.30 -3.38 115.31 113.42 1oze h LEU 221 Ca 0.07 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1oze h LEU 221 Cb 0.63 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.27 1oze h LEU 221 CO 0.04 0.03 -0.54 0.35 0.09 0.00 0.00 178.44 178.42 1oze n THR 222 N -2.49 0.87 0.00 0.22 -2.24 -0.99 -5.10 114.28 104.55 1oze n THR 222 Ca 0.03 -1.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.37 1oze n THR 222 Cb 0.48 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1oze n THR 222 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91