#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1umd s LEU 3 N 0.00 4.29 0.13 0.00 1.43 -1.26 0.84 118.68 124.11 1umd s LEU 3 Ca 0.00 1.50 -0.14 0.00 -1.03 0.00 0.00 54.13 54.45 1umd s LEU 3 Cb 0.00 -3.47 0.03 0.00 0.03 0.00 0.00 46.19 42.77 1umd s LEU 3 CO 0.00 -0.34 0.37 0.00 0.23 0.00 0.00 176.35 176.61 1umd s MET 4 N 1.56 1.07 0.85 1.70 0.23 -0.22 -4.89 119.30 119.59 1umd s MET 4 Ca 0.47 -0.80 -0.11 0.00 -1.03 0.00 0.00 55.69 54.22 1umd s MET 4 Cb -0.19 0.45 0.14 0.00 -1.53 0.00 0.00 34.83 33.70 1umd s MET 4 CO 0.21 -0.41 1.19 0.95 -2.03 0.00 0.00 175.02 174.93 1umd s THR 5 N -3.83 2.07 0.18 3.16 -4.23 -1.26 -1.71 115.64 110.01 1umd s THR 5 Ca 0.05 -0.13 -0.11 0.00 -1.18 0.00 0.00 61.69 60.32 1umd s THR 5 Cb 0.02 -2.94 0.09 0.00 1.34 0.00 0.00 72.50 71.01 1umd s THR 5 CO -0.10 0.00 1.72 -0.03 -0.54 0.00 0.00 174.62 175.67 1umd h MET 6 N -1.18 0.96 -0.42 3.99 4.05 -1.62 -1.00 114.93 119.70 1umd h MET 6 Ca -0.44 -0.19 0.04 0.00 -0.28 0.00 0.00 59.70 58.83 1umd h MET 6 Cb 1.27 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 31.89 1umd h MET 6 CO 0.49 0.83 0.20 0.28 0.23 0.00 0.00 176.91 178.94 1umd h VAL 7 N 0.89 0.96 -0.65 -5.77 2.07 -1.71 0.96 116.25 112.99 1umd h VAL 7 Ca 0.21 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 1umd h VAL 7 Cb 0.24 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1umd h VAL 7 CO -0.01 0.08 0.16 1.56 0.02 0.00 0.00 177.57 179.37 1umd h GLN 8 N 0.41 1.03 -0.49 1.57 4.20 -1.78 -0.30 115.11 119.75 1umd h GLN 8 Ca 0.18 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1umd h GLN 8 Cb 0.10 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1umd h GLN 8 CO -0.14 0.92 0.01 0.00 -0.67 0.00 0.00 178.83 178.95 1umd h ALA 9 N 1.18 0.66 -0.40 3.87 0.00 -0.56 -0.29 119.26 123.72 1umd h ALA 9 Ca 0.21 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1umd h ALA 9 Cb 0.35 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1umd h ALA 9 CO 0.00 0.45 -0.00 -0.07 0.00 0.00 0.00 179.25 179.63 1umd h LEU 10 N 0.72 0.69 -0.87 0.00 3.38 -0.62 -1.21 115.31 117.40 1umd h LEU 10 Ca 0.14 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1umd h LEU 10 Cb 0.50 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1umd h LEU 10 CO 0.02 0.83 0.50 -1.13 0.09 0.00 0.00 178.44 178.76 1umd h ASN 11 N 0.53 1.07 -0.52 -0.43 -0.73 -0.92 -1.55 115.58 113.03 1umd h ASN 11 Ca 0.11 -0.08 -0.06 0.00 1.87 0.00 0.00 56.30 58.14 1umd h ASN 11 Cb 0.48 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.78 1umd h ASN 11 CO 0.02 0.84 0.10 -0.09 -0.37 0.00 0.00 177.43 177.93 1umd h ARG 12 N 1.21 0.86 -0.42 6.67 9.65 -0.83 -1.26 114.38 130.25 1umd h ARG 12 Ca 0.31 -0.22 0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1umd h ARG 12 Cb -0.01 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.44 1umd h ARG 12 CO -0.05 0.83 0.27 0.00 2.80 0.00 0.00 179.97 183.82 1umd h ALA 13 N 0.99 0.54 -0.22 2.80 0.00 -0.74 -0.34 119.26 122.28 1umd h ALA 13 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1umd h ALA 13 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1umd h ALA 13 CO 0.01 -0.04 0.09 -0.07 0.00 0.00 0.00 179.25 179.23 1umd h LEU 14 N 0.54 0.31 -0.24 0.00 3.38 -1.13 -1.59 115.31 116.58 1umd h LEU 14 Ca 0.16 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1umd h LEU 14 Cb -0.03 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1umd h LEU 14 CO -0.05 0.39 -0.00 -0.78 0.09 0.00 0.00 178.44 178.08 1umd h ASP 15 N 0.20 -0.10 -0.08 -0.43 1.82 -0.98 -0.69 116.42 116.17 1umd h ASP 15 Ca 0.07 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 1umd h ASP 15 Cb 0.18 0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.29 1umd h ASP 15 CO -0.01 -0.02 0.05 -0.33 -1.61 0.00 0.00 179.24 177.33 1umd h GLU 16 N 0.07 0.10 -0.39 0.28 5.08 -0.94 -0.66 114.58 118.12 1umd h GLU 16 Ca 0.11 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1umd h GLU 16 Cb 0.15 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1umd h GLU 16 CO -0.19 0.07 -0.00 0.93 -1.00 0.00 0.00 179.01 178.81 1umd h GLU 17 N 0.10 0.62 -0.10 2.33 4.39 -1.11 -1.50 114.58 119.31 1umd h GLU 17 Ca 0.03 -0.15 -0.15 0.00 0.34 0.00 0.00 59.36 59.43 1umd h GLU 17 Cb -0.01 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1umd h GLU 17 CO -0.01 0.65 -0.57 0.52 -1.16 0.00 0.00 179.01 178.44 1umd h MET 18 N 0.59 0.33 -0.24 2.33 2.86 -0.88 -0.71 114.93 119.21 1umd h MET 18 Ca 0.12 -0.21 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 1umd h MET 18 Cb 0.38 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1umd h MET 18 CO 0.01 0.81 -0.38 0.00 1.06 0.00 0.00 176.91 178.41 1umd h ALA 19 N 1.15 0.91 0.01 6.32 0.00 -0.72 -3.24 119.26 123.69 1umd h ALA 19 Ca -0.00 -0.42 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 1umd h ALA 19 Cb 1.08 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1umd h ALA 19 CO 0.09 0.63 -0.99 0.87 0.00 0.00 0.00 179.25 179.85 1umd h LYS 20 N 0.45 0.48 -3.87 0.00 1.57 -1.05 -3.44 116.57 110.70 1umd h LYS 20 Ca 0.04 -0.53 -0.50 0.00 -1.87 0.00 0.00 60.65 57.80 1umd h LYS 20 Cb 0.86 0.15 -0.38 0.00 0.08 0.00 0.00 32.23 32.94 1umd h LYS 20 CO 0.07 1.17 -0.78 0.34 -0.57 0.00 0.00 179.45 179.69 1umd s ASP 21 N -7.15 2.23 0.59 0.86 -1.08 -0.29 -5.01 116.67 106.83 1umd s ASP 21 Ca -0.07 -0.40 0.31 0.00 -0.52 0.00 0.00 52.55 51.87 1umd s ASP 21 Cb 0.08 -0.65 1.85 0.00 -1.46 0.00 0.00 42.92 42.74 1umd s ASP 21 CO 0.88 -0.20 2.26 -0.65 0.52 0.00 0.00 175.17 177.98 1umd h PRO 22 N 8.24 0.00 0.00 4.34 0.11 -1.86 -1.98 132.00 140.84 1umd h PRO 22 Ca -0.22 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 1umd h PRO 22 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1umd h PRO 22 CO 0.33 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.09 1umd h ARG 23 N 0.00 0.00 -6.19 1.05 3.08 -1.91 -3.43 114.38 106.98 1umd h ARG 23 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1umd h ARG 23 Cb 0.01 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1umd h ARG 23 CO 0.00 0.04 0.93 0.08 -1.07 0.00 0.00 179.97 179.96 1umd s VAL 24 N -3.70 4.10 0.06 2.04 1.01 -0.75 -1.25 120.40 121.91 1umd s VAL 24 Ca 0.01 1.34 0.04 0.00 0.00 0.00 0.00 61.98 63.37 1umd s VAL 24 Cb 0.09 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1umd s VAL 24 CO 0.56 -0.11 -0.13 0.68 0.00 0.00 0.00 175.10 176.10 1umd s VAL 25 N 3.53 0.98 -0.10 2.92 -7.23 -1.13 -4.85 120.40 114.52 1umd s VAL 25 Ca 0.59 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 1umd s VAL 25 Cb -0.25 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 1umd s VAL 25 CO 0.19 -0.20 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.00 1umd s VAL 26 N -1.18 3.49 -0.02 1.32 1.01 0.18 -0.45 120.40 124.75 1umd s VAL 26 Ca -0.03 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 1umd s VAL 26 Cb -0.09 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.84 1umd s VAL 26 CO 0.02 0.56 0.16 -1.48 0.00 0.00 0.00 175.10 174.35 1umd s LEU 27 N -0.30 1.45 0.00 3.92 2.34 -1.06 -0.57 118.68 124.47 1umd s LEU 27 Ca 0.04 0.01 0.00 0.00 0.06 0.00 0.00 54.13 54.24 1umd s LEU 27 Cb -0.13 0.66 0.00 0.00 -0.56 0.00 0.00 46.19 46.16 1umd s LEU 27 CO 0.03 -0.26 0.00 0.61 -1.06 0.00 0.00 176.35 175.67 1umd n GLY 28 N 2.03 -2.64 3.69 -3.48 0.00 -0.96 -1.06 105.19 102.76 1umd n GLY 28 Ca -0.19 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 1umd n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1umd s GLU 29 N -1.98 4.39 -1.72 1.61 2.02 -1.26 -1.39 118.70 120.36 1umd s GLU 29 Ca 0.00 1.54 0.00 0.00 0.02 0.00 0.00 54.97 56.53 1umd s GLU 29 Cb 0.00 -3.55 0.00 0.00 0.10 0.00 0.00 34.13 30.68 1umd s GLU 29 CO 0.00 -0.38 0.00 -0.25 0.02 0.00 0.00 175.26 174.65 1umd n ASP 30 N 5.10 -5.55 0.06 -0.19 8.00 -1.26 -4.80 116.55 117.91 1umd n ASP 30 Ca 0.10 0.05 0.12 0.00 0.71 0.00 0.00 54.79 55.77 1umd n ASP 30 Cb 0.47 -4.61 0.15 0.00 -0.02 0.00 0.00 41.12 37.11 1umd n ASP 30 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1umd h VAL 31 N 0.00 0.00 0.00 2.53 -1.51 -1.88 -0.13 116.25 115.26 1umd h VAL 31 Ca -0.45 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.50 1umd h VAL 31 Cb 1.33 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 1umd h VAL 31 CO 0.55 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.50 1umd n GLY 32 N 1.33 1.50 0.37 5.19 0.00 -1.26 -3.84 105.19 108.48 1umd n GLY 32 Ca 0.03 -0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.21 1umd n GLY 32 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1umd h LYS 33 N 0.00 0.61 0.00 1.61 3.64 -1.93 0.21 116.57 120.71 1umd h LYS 33 Ca 0.00 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1umd h LYS 33 Cb 0.00 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1umd h LYS 33 CO 0.00 0.40 -0.17 -0.09 -2.27 0.00 0.00 179.45 177.32 1umd h ARG 34 N 0.63 0.00 -0.08 1.90 9.65 -1.85 -3.47 114.38 121.17 1umd h ARG 34 Ca 0.56 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.40 1umd h ARG 34 Cb 1.06 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.62 1umd h ARG 34 CO -0.33 0.17 -0.03 0.41 2.80 0.00 0.00 179.97 183.00 1umd n GLY 35 N -0.31 0.52 0.00 2.80 0.00 0.74 -4.79 105.19 104.16 1umd n GLY 35 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1umd n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umd n GLY 36 N -2.37 0.27 0.08 -0.02 0.00 -0.06 -1.75 105.19 101.33 1umd n GLY 36 Ca -0.02 -1.48 0.09 0.00 0.00 0.00 0.00 46.02 44.61 1umd n GLY 36 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1umd n VAL 37 N 0.81 1.08 -0.33 1.61 0.24 -1.26 -1.38 118.33 119.11 1umd n VAL 37 Ca 0.00 0.36 0.02 0.00 -2.04 0.00 0.00 64.34 62.69 1umd n VAL 37 Cb 0.00 -1.26 0.03 0.00 -1.47 0.00 0.00 33.84 31.14 1umd n VAL 37 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1umd n PHE 38 N -1.92 0.00 -1.25 6.34 3.72 -1.26 -5.00 117.46 118.09 1umd n PHE 38 Ca 0.02 -0.58 -0.09 0.00 -0.05 0.00 0.00 57.45 56.75 1umd n PHE 38 Cb 0.14 -0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.58 1umd n PHE 38 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1umd n LEU 39 N -0.69 -0.19 0.07 4.37 4.77 -0.48 -4.89 117.00 119.98 1umd n LEU 39 Ca 0.04 0.21 0.03 0.00 -0.03 0.00 0.00 56.01 56.26 1umd n LEU 39 Cb 0.36 -2.36 0.40 0.00 -2.33 0.00 0.00 43.42 39.49 1umd n LEU 39 CO 0.00 -0.89 0.99 0.58 -1.33 0.00 0.00 177.39 176.74 1umd h VAL 40 N 0.00 1.15 -0.51 4.08 2.07 -1.81 -2.60 116.25 118.62 1umd h VAL 40 Ca -0.18 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1umd h VAL 40 Cb 1.00 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1umd h VAL 40 CO 0.26 0.19 0.00 0.35 0.02 0.00 0.00 177.57 178.39 1umd n THR 41 N -4.35 1.86 -1.65 2.57 -2.24 -1.04 -3.83 114.28 105.60 1umd n THR 41 Ca 0.01 -1.32 -0.47 0.00 -2.27 0.00 0.00 64.05 59.99 1umd n THR 41 Cb 0.19 0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.47 1umd n THR 41 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1umd n GLU 42 N 0.65 1.85 0.00 -0.78 2.13 -0.72 -2.11 120.64 121.67 1umd n GLU 42 Ca 0.23 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.71 1umd n GLU 42 Cb 0.84 -2.36 0.00 0.00 0.27 0.00 0.00 31.44 30.19 1umd n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1umd n GLY 43 N 2.80 2.98 0.29 8.31 0.00 -1.26 -4.88 105.19 113.42 1umd n GLY 43 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1umd n GLY 43 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1umd h LEU 44 N 0.00 1.04 -0.12 0.99 3.38 -1.78 -2.43 115.31 116.39 1umd h LEU 44 Ca 0.00 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 1umd h LEU 44 Cb 0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1umd h LEU 44 CO 0.00 1.15 0.07 0.25 0.09 0.00 0.00 178.44 180.00 1umd h LEU 45 N 0.91 0.15 -1.35 1.67 5.85 -1.84 0.28 115.31 120.99 1umd h LEU 45 Ca 0.14 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1umd h LEU 45 Cb 0.70 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 1umd h LEU 45 CO 0.05 0.19 0.50 -0.61 -0.34 0.00 0.00 178.44 178.24 1umd h GLN 46 N 0.10 0.74 0.19 1.25 4.15 -1.90 0.28 115.11 119.92 1umd h GLN 46 Ca 0.04 -0.04 -0.35 0.00 0.77 0.00 0.00 58.65 59.07 1umd h GLN 46 Cb 0.07 -0.17 0.01 0.00 0.21 0.00 0.00 27.48 27.61 1umd h GLN 46 CO -0.01 0.49 -1.71 -0.22 -1.93 0.00 0.00 178.83 175.45 1umd h LYS 47 N 0.76 0.39 0.00 1.69 3.64 -1.02 -3.40 116.57 118.63 1umd h LYS 47 Ca 0.34 -0.67 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1umd h LYS 47 Cb 0.34 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1umd h LYS 47 CO -0.12 1.31 -0.77 0.66 -2.27 0.00 0.00 179.45 178.26 1umd n TYR 48 N -3.59 0.00 0.00 1.91 4.01 0.96 -5.10 117.16 115.35 1umd n TYR 48 Ca -0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1umd n TYR 48 Cb 1.08 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 1umd n TYR 48 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1umd n GLY 49 N 1.37 0.26 0.19 2.72 0.00 0.97 -4.47 105.19 106.23 1umd n GLY 49 Ca 0.03 -1.72 0.14 0.00 0.00 0.00 0.00 46.02 44.46 1umd n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1umd h PRO 50 N 0.00 0.00 -0.04 1.61 0.13 -1.78 -2.29 132.00 129.64 1umd h PRO 50 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1umd h PRO 50 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1umd h PRO 50 CO 0.00 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.52 1umd n ASP 51 N -2.49 0.90 0.00 1.44 8.00 -1.26 -3.87 116.55 119.26 1umd n ASP 51 Ca 0.00 -1.38 0.00 0.00 0.71 0.00 0.00 54.79 54.12 1umd n ASP 51 Cb 0.16 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1umd n ASP 51 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1umd n ARG 52 N -0.27 3.20 -3.67 -1.24 1.74 -0.90 -4.92 116.66 110.61 1umd n ARG 52 Ca 0.19 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.98 1umd n ARG 52 Cb 0.24 -0.56 -0.14 0.00 -1.02 0.00 0.00 32.46 30.98 1umd n ARG 52 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1umd s VAL 53 N -0.86 0.67 -0.12 1.55 1.01 -0.97 0.49 120.40 122.16 1umd s VAL 53 Ca 0.00 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 60.57 1umd s VAL 53 Cb 0.00 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 1umd s VAL 53 CO 0.00 -0.74 -0.20 0.00 0.00 0.00 0.00 175.10 174.16 1umd s MET 54 N 1.52 3.15 0.25 2.72 0.23 0.27 -4.43 119.30 123.01 1umd s MET 54 Ca 0.11 -0.81 -0.30 0.00 -1.03 0.00 0.00 55.69 53.67 1umd s MET 54 Cb -0.18 -2.44 -0.09 0.00 -1.53 0.00 0.00 34.83 30.58 1umd s MET 54 CO -0.22 0.14 1.14 -0.51 -2.03 0.00 0.00 175.02 173.54 1umd s ASP 55 N 0.46 7.18 0.38 -1.18 1.01 -1.26 -2.26 116.67 121.00 1umd s ASP 55 Ca -0.14 2.27 0.08 0.00 0.71 0.00 0.00 52.55 55.47 1umd s ASP 55 Cb -0.17 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.08 1umd s ASP 55 CO 0.06 -0.25 0.09 0.42 0.21 0.00 0.00 175.17 175.71 1umd s THR 56 N -0.75 2.41 1.06 -1.27 -4.23 -0.49 -4.87 115.64 107.50 1umd s THR 56 Ca 0.48 -1.84 -0.12 0.00 -1.18 0.00 0.00 61.69 59.02 1umd s THR 56 Cb -0.32 -2.93 0.22 0.00 1.34 0.00 0.00 72.50 70.81 1umd s THR 56 CO 0.40 -0.08 1.07 -2.84 -0.54 0.00 0.00 174.62 172.63 1umd s PRO 57 N -3.81 -0.04 -1.33 3.99 0.02 -1.26 -4.60 135.00 127.98 1umd s PRO 57 Ca 0.38 0.65 -0.15 0.00 0.02 0.00 0.00 61.00 61.89 1umd s PRO 57 Cb 0.03 -1.67 0.09 0.00 0.02 0.00 0.00 34.50 32.97 1umd s PRO 57 CO 0.21 -3.08 1.83 -0.11 -0.33 0.00 0.00 177.00 175.51 1umd n LEU 58 N -4.44 5.64 -3.47 -5.54 0.00 -1.26 -4.78 117.00 103.15 1umd n LEU 58 Ca 0.04 -4.13 -0.09 0.00 0.00 0.00 0.00 56.01 51.83 1umd n LEU 58 Cb 0.56 -1.68 -0.09 0.00 0.00 0.00 0.00 43.42 42.21 1umd n LEU 58 CO 0.57 0.60 -0.04 -0.55 0.00 0.00 0.00 177.39 177.98 1umd s SER 59 N 3.43 0.12 0.37 1.96 0.15 -1.26 -5.02 113.70 113.45 1umd s SER 59 Ca 0.49 0.48 0.17 0.00 0.70 0.00 0.00 55.95 57.79 1umd s SER 59 Cb 0.06 1.14 0.70 0.00 -1.71 0.00 0.00 66.02 66.21 1umd s SER 59 CO 0.02 -0.27 1.76 -0.33 1.20 0.00 0.00 173.24 175.61 1umd h GLU 60 N 8.19 0.00 -0.35 5.44 3.07 -1.88 -0.67 114.58 128.37 1umd h GLU 60 Ca -0.18 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.57 1umd h GLU 60 Cb 1.14 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 1umd h GLU 60 CO 0.22 0.40 -0.23 0.00 -1.40 0.00 0.00 179.01 177.99 1umd h ALA 61 N 1.60 0.51 -0.46 3.43 0.00 -1.86 -0.78 119.26 121.70 1umd h ALA 61 Ca -0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1umd h ALA 61 Cb 0.84 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1umd h ALA 61 CO 0.05 0.48 0.06 0.00 0.00 0.00 0.00 179.25 179.85 1umd h ALA 62 N 0.77 0.61 0.66 0.00 0.00 -1.85 -0.54 119.26 118.91 1umd h ALA 62 Ca 0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1umd h ALA 62 Cb 0.79 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1umd h ALA 62 CO 0.06 0.35 -0.32 0.82 0.00 0.00 0.00 179.25 180.16 1umd h ILE 63 N 0.63 0.31 -0.20 0.00 2.04 -1.01 0.21 117.51 119.48 1umd h ILE 63 Ca 0.14 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1umd h ILE 63 Cb 0.41 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1umd h ILE 63 CO 0.01 0.02 0.06 0.58 0.00 0.00 0.00 178.15 178.82 1umd h VAL 64 N -0.98 1.19 -0.45 1.67 2.07 -1.19 -1.53 116.25 117.03 1umd h VAL 64 Ca -0.09 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 1umd h VAL 64 Cb 0.71 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1umd h VAL 64 CO 0.15 0.19 0.06 1.23 0.02 0.00 0.00 177.57 179.22 1umd h GLY 65 N 0.15 0.81 1.04 2.17 0.00 -1.15 -1.14 103.07 104.94 1umd h GLY 65 Ca 0.06 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 1umd h GLY 65 CO -0.00 0.51 0.23 0.00 0.00 0.00 0.00 176.54 177.28 1umd h ALA 66 N 0.94 0.91 -0.86 3.60 0.00 -0.96 -0.71 119.26 122.18 1umd h ALA 66 Ca 0.13 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1umd h ALA 66 Cb 0.40 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1umd h ALA 66 CO 0.01 0.58 0.56 0.00 0.00 0.00 0.00 179.25 180.40 1umd h ALA 67 N 1.11 1.12 -0.33 0.00 0.00 -1.06 0.21 119.26 120.31 1umd h ALA 67 Ca 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1umd h ALA 67 Cb 0.28 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1umd h ALA 67 CO -0.01 0.42 0.18 1.25 0.00 0.00 0.00 179.25 181.09 1umd h LEU 68 N 1.10 0.41 -0.79 0.00 7.12 -0.53 0.20 115.31 122.81 1umd h LEU 68 Ca 0.34 -0.09 -0.02 0.00 0.13 0.00 0.00 57.88 58.24 1umd h LEU 68 Cb -0.03 -0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 39.96 1umd h LEU 68 CO -0.10 0.38 0.43 1.23 -0.13 0.00 0.00 178.44 180.25 1umd h GLY 69 N 0.41 1.18 0.97 3.75 0.00 -0.27 -0.68 103.07 108.44 1umd h GLY 69 Ca 0.12 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1umd h GLY 69 CO -0.02 0.52 0.22 -0.33 0.00 0.00 0.00 176.54 176.93 1umd h MET 70 N 1.10 0.70 -0.61 4.80 2.86 -0.23 -2.22 114.93 121.32 1umd h MET 70 Ca 0.28 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.74 1umd h MET 70 Cb 0.03 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1umd h MET 70 CO -0.04 0.60 0.13 0.00 1.06 0.00 0.00 176.91 178.66 1umd h ALA 71 N 1.06 0.81 -0.12 6.32 0.00 -0.62 -0.93 119.26 125.79 1umd h ALA 71 Ca 0.16 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1umd h ALA 71 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1umd h ALA 71 CO -0.02 0.54 -0.25 0.00 0.00 0.00 0.00 179.25 179.51 1umd h ALA 72 N 1.04 1.36 0.18 0.00 0.00 -0.99 -3.30 119.26 117.55 1umd h ALA 72 Ca 0.19 -0.29 -0.33 0.00 0.00 0.00 0.00 54.91 54.48 1umd h ALA 72 Cb 0.38 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1umd h ALA 72 CO 0.01 0.44 -1.60 1.25 0.00 0.00 0.00 179.25 179.35 1umd h HIS 73 N 0.19 0.70 0.00 0.00 6.17 -1.12 -3.45 115.15 117.65 1umd h HIS 73 Ca 0.03 -0.51 0.00 0.00 0.71 0.00 0.00 60.37 60.60 1umd h HIS 73 Cb 0.56 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.46 1umd h HIS 73 CO 0.01 1.62 0.00 0.41 0.71 0.00 0.00 177.93 180.68 1umd n GLY 74 N 1.81 0.00 3.96 5.26 0.00 -0.56 -5.11 105.19 110.55 1umd n GLY 74 Ca -0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 1umd n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1umd s LEU 75 N 0.00 3.11 -0.60 0.99 1.43 -0.46 -4.92 118.68 118.22 1umd s LEU 75 Ca 0.00 0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 1umd s LEU 75 Cb 0.00 -2.83 0.17 0.00 0.03 0.00 0.00 46.19 43.57 1umd s LEU 75 CO 0.00 -1.36 0.45 0.54 0.23 0.00 0.00 176.35 176.21 1umd n ARG 76 N -2.57 1.27 -2.46 1.70 1.74 -0.38 -3.95 116.66 112.01 1umd n ARG 76 Ca 0.09 -4.02 -0.38 0.00 -0.77 0.00 0.00 57.85 52.76 1umd n ARG 76 Cb 0.60 -2.06 -0.04 0.00 -1.02 0.00 0.00 32.46 29.95 1umd n ARG 76 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1umd s PRO 77 N -0.97 4.31 -0.43 5.56 0.04 -1.26 -2.82 135.00 139.43 1umd s PRO 77 Ca 0.28 1.69 0.04 0.00 0.04 0.00 0.00 61.00 63.05 1umd s PRO 77 Cb -0.00 -2.80 0.12 0.00 0.04 0.00 0.00 34.50 31.85 1umd s PRO 77 CO -0.18 -0.05 0.16 0.08 0.04 0.00 0.00 177.00 177.05 1umd s VAL 78 N -1.43 2.48 0.27 -0.36 1.01 0.41 -1.49 120.40 121.30 1umd s VAL 78 Ca 0.53 -2.81 -0.20 0.00 0.00 0.00 0.00 61.98 59.50 1umd s VAL 78 Cb -0.27 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.24 1umd s VAL 78 CO 0.35 -0.70 0.78 0.00 0.00 0.00 0.00 175.10 175.53 1umd s ALA 79 N 0.33 3.33 -0.06 5.51 0.00 0.83 -2.57 121.76 129.14 1umd s ALA 79 Ca 0.14 0.23 0.06 0.00 0.00 0.00 0.00 51.96 52.39 1umd s ALA 79 Cb -0.22 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 1umd s ALA 79 CO -0.04 0.29 -0.24 -2.00 0.00 0.00 0.00 175.76 173.76 1umd s GLU 80 N -2.25 2.53 -0.26 0.00 2.12 -0.22 0.04 118.70 120.66 1umd s GLU 80 Ca 0.48 -0.89 -0.05 0.00 0.36 0.00 0.00 54.97 54.87 1umd s GLU 80 Cb -0.15 -2.17 0.00 0.00 0.26 0.00 0.00 34.13 32.07 1umd s GLU 80 CO 0.20 0.40 0.00 0.42 -0.54 0.00 0.00 175.26 175.75 1umd s ILE 81 N -0.22 3.53 0.32 -3.70 -1.09 -0.25 -4.39 121.20 115.41 1umd s ILE 81 Ca -0.02 -0.66 0.09 0.00 -2.23 0.00 0.00 60.65 57.83 1umd s ILE 81 Cb -0.13 -2.73 0.33 0.00 -1.58 0.00 0.00 42.46 38.34 1umd s ILE 81 CO 0.03 0.24 1.65 -0.61 -1.23 0.00 0.00 174.94 175.02 1umd h GLN 82 N 8.14 0.24 -3.57 2.79 4.15 -1.90 -3.37 115.11 121.59 1umd h GLN 82 Ca -0.36 -0.01 -0.22 0.00 0.77 0.00 0.00 58.65 58.83 1umd h GLN 82 Cb 1.14 -0.05 -0.28 0.00 0.21 0.00 0.00 27.48 28.49 1umd h GLN 82 CO 0.59 0.16 -0.65 -0.06 -1.93 0.00 0.00 178.83 176.94 1umd s PHE 83 N -5.79 -0.06 0.53 3.99 0.40 -1.26 -4.34 117.98 111.45 1umd s PHE 83 Ca -0.11 0.17 0.27 0.00 -0.60 0.00 0.00 56.93 56.66 1umd s PHE 83 Cb 0.28 -0.00 1.42 0.00 0.51 0.00 0.00 43.02 45.24 1umd s PHE 83 CO 0.78 -0.04 1.96 0.00 0.70 0.00 0.00 175.22 178.62 1umd h ALA 84 N 6.20 2.61 -0.02 5.36 0.00 -0.98 0.17 119.26 132.60 1umd h ALA 84 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1umd h ALA 84 Cb 1.20 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1umd h ALA 84 CO 0.47 -0.79 0.03 -0.44 0.00 0.00 0.00 179.25 178.51 1umd h ASP 85 N 0.00 0.00 -0.59 0.00 5.19 -1.82 -2.33 116.42 116.87 1umd h ASP 85 Ca 0.31 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 1umd h ASP 85 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1umd h ASP 85 CO -0.00 0.00 0.00 -1.22 -3.12 0.00 0.00 179.24 174.90 1umd n TYR 86 N -3.56 1.94 0.18 4.55 4.01 0.59 -4.32 117.16 120.55 1umd n TYR 86 Ca -0.03 -0.69 0.06 0.00 -0.16 0.00 0.00 57.90 57.08 1umd n TYR 86 Cb 0.11 -0.45 0.27 0.00 -0.31 0.00 0.00 39.34 38.96 1umd n TYR 86 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 1umd h ILE 87 N 3.99 0.78 -0.89 -0.72 6.09 -1.54 -3.34 117.51 121.88 1umd h ILE 87 Ca 0.00 -1.62 0.09 0.00 -1.37 0.00 0.00 64.86 61.96 1umd h ILE 87 Cb 1.85 2.04 -0.07 0.00 0.47 0.00 0.00 36.82 41.10 1umd h ILE 87 CO 0.43 0.36 0.54 -0.26 -3.07 0.00 0.00 178.15 176.15 1umd h PHE 88 N 0.00 0.98 0.00 2.19 0.04 -1.82 -0.67 116.94 117.66 1umd h PHE 88 Ca -0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1umd h PHE 88 Cb 1.01 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.85 1umd h PHE 88 CO 0.00 0.43 -0.01 -1.35 -0.60 0.00 0.00 178.31 176.78 1umd h PRO 89 N 0.91 0.00 -0.34 1.51 0.11 -1.92 0.07 132.00 132.34 1umd h PRO 89 Ca 0.42 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.46 1umd h PRO 89 Cb 0.33 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.40 1umd h PRO 89 CO -0.23 0.01 0.02 0.41 -0.21 0.00 0.00 178.00 178.00 1umd n GLY 90 N -1.08 4.15 0.27 -0.55 0.00 -0.31 -4.08 105.19 103.58 1umd n GLY 90 Ca -0.03 -1.07 -0.07 0.00 0.00 0.00 0.00 46.02 44.85 1umd n GLY 90 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1umd h PHE 91 N 1.78 0.88 -0.72 1.61 3.57 -0.34 -2.16 116.94 121.57 1umd h PHE 91 Ca 0.08 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 1umd h PHE 91 Cb 1.61 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 40.04 1umd h PHE 91 CO 0.71 0.65 0.19 0.22 -2.23 0.00 0.00 178.31 177.85 1umd h ASP 92 N 0.85 1.08 -0.63 0.41 3.58 -1.84 -0.38 116.42 119.49 1umd h ASP 92 Ca 0.22 -0.23 0.03 0.00 0.42 0.00 0.00 57.03 57.47 1umd h ASP 92 Cb 0.09 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 40.82 1umd h ASP 92 CO -0.03 1.03 0.39 1.56 -2.88 0.00 0.00 179.24 179.31 1umd h GLN 93 N 1.09 0.75 -0.10 0.28 1.08 -1.86 0.42 115.11 116.77 1umd h GLN 93 Ca 0.23 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.37 1umd h GLN 93 Cb 0.36 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1umd h GLN 93 CO 0.00 0.50 0.00 1.25 -0.95 0.00 0.00 178.83 179.63 1umd h LEU 94 N 0.77 0.17 0.00 1.46 5.85 -0.87 -0.08 115.31 122.61 1umd h LEU 94 Ca 0.25 -0.30 -0.25 0.00 0.84 0.00 0.00 57.88 58.42 1umd h LEU 94 Cb 0.01 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1umd h LEU 94 CO -0.10 0.43 -1.50 -0.37 -0.34 0.00 0.00 178.44 176.57 1umd h VAL 95 N -0.09 0.93 0.04 1.05 -1.51 -0.98 -1.70 116.25 113.99 1umd h VAL 95 Ca 0.03 -2.68 -0.35 0.00 -1.23 0.00 0.00 66.70 62.47 1umd h VAL 95 Cb 0.34 2.42 -0.05 0.00 -2.13 0.00 0.00 31.29 31.88 1umd h VAL 95 CO 0.00 0.53 -2.07 -1.20 -1.23 0.00 0.00 177.57 173.60 1umd n SER 96 N -3.08 1.27 -0.10 4.19 7.64 0.15 -4.22 113.62 119.48 1umd n SER 96 Ca -0.12 0.17 -0.14 0.00 1.01 0.00 0.00 58.87 59.79 1umd n SER 96 Cb 0.99 -0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.99 1umd n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1umd n GLN 97 N -3.15 0.54 0.39 1.43 1.13 -0.90 -4.39 117.38 112.42 1umd n GLN 97 Ca -0.30 0.27 -0.15 0.00 -1.94 0.00 0.00 57.00 54.88 1umd n GLN 97 Cb 1.06 -1.48 -0.07 0.00 0.11 0.00 0.00 30.24 29.86 1umd n GLN 97 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1umd h VAL 98 N -1.00 0.00 -0.71 5.09 2.07 -1.07 -2.53 116.25 118.09 1umd h VAL 98 Ca -0.18 -0.06 0.10 0.00 0.82 0.00 0.00 66.70 67.38 1umd h VAL 98 Cb 1.11 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1umd h VAL 98 CO -0.11 0.00 0.47 0.00 0.02 0.00 0.00 177.57 177.95 1umd h ALA 99 N -1.49 1.87 -0.08 1.67 0.00 -1.50 -3.08 119.26 116.65 1umd h ALA 99 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1umd h ALA 99 Cb 0.75 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1umd h ALA 99 CO 0.17 -0.02 0.00 1.63 0.00 0.00 0.00 179.25 181.03 1umd n LYS 100 N -4.49 2.13 0.18 0.00 5.02 -1.24 -4.31 118.16 115.45 1umd n LYS 100 Ca 0.12 -1.89 -0.15 0.00 -2.02 0.00 0.00 58.31 54.38 1umd n LYS 100 Cb 0.34 -1.43 -0.07 0.00 -0.02 0.00 0.00 35.03 33.85 1umd n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1umd h LEU 101 N 4.33 -0.89 -0.30 -0.35 5.85 -1.35 0.51 115.31 123.10 1umd h LEU 101 Ca 0.00 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1umd h LEU 101 Cb 0.93 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1umd h LEU 101 CO 0.00 -0.44 0.15 -0.09 -0.34 0.00 0.00 178.44 177.72 1umd h ARG 102 N -0.64 0.31 0.46 1.25 2.43 -1.82 -2.19 114.38 114.19 1umd h ARG 102 Ca -0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1umd h ARG 102 Cb 0.60 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1umd h ARG 102 CO -0.10 0.20 -0.22 -0.92 -1.51 0.00 0.00 179.97 177.42 1umd h TYR 103 N 0.31 -0.58 0.00 2.20 3.20 -1.81 0.17 116.97 120.47 1umd h TYR 103 Ca 0.12 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1umd h TYR 103 Cb 0.04 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 1umd h TYR 103 CO -0.10 -0.32 -0.07 0.07 -1.64 0.00 0.00 178.16 176.11 1umd h ARG 104 N -0.70 0.00 -0.50 1.82 0.11 -0.89 -2.38 114.38 111.84 1umd h ARG 104 Ca -0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1umd h ARG 104 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1umd h ARG 104 CO 0.10 0.07 0.00 -1.13 0.10 0.00 0.00 179.97 179.11 1umd n SER 105 N -3.39 3.25 -1.71 0.08 3.41 -0.83 -4.92 113.62 109.51 1umd n SER 105 Ca -0.01 -1.97 -0.17 0.00 -0.26 0.00 0.00 58.87 56.46 1umd n SER 105 Cb 0.22 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 1umd n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1umd n GLY 106 N 1.47 0.45 1.94 5.00 0.00 -0.90 -1.81 105.19 111.35 1umd n GLY 106 Ca 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1umd n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umd n GLY 107 N -0.96 0.79 0.18 -0.02 0.00 0.58 -4.93 105.19 100.82 1umd n GLY 107 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 1umd n GLY 107 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1umd h GLN 108 N 2.94 0.19 -6.15 1.61 4.20 -1.59 -3.44 115.11 112.87 1umd h GLN 108 Ca 0.00 -0.10 -0.61 0.00 0.06 0.00 0.00 58.65 58.00 1umd h GLN 108 Cb 0.00 0.01 -0.28 0.00 0.30 0.00 0.00 27.48 27.51 1umd h GLN 108 CO 0.00 0.64 -0.85 -0.06 -0.67 0.00 0.00 178.83 177.88 1umd s PHE 109 N -3.97 1.91 0.25 2.96 0.08 -1.26 -5.13 117.98 112.81 1umd s PHE 109 Ca -0.04 -0.37 0.05 0.00 0.12 0.00 0.00 56.93 56.69 1umd s PHE 109 Cb 0.13 -1.18 -0.05 0.00 -0.57 0.00 0.00 43.02 41.34 1umd s PHE 109 CO 0.77 0.04 -0.03 0.95 -0.10 0.00 0.00 175.22 176.85 1umd s THR 110 N -0.66 1.32 -0.57 0.64 -4.23 -1.26 -3.39 115.64 107.50 1umd s THR 110 Ca 0.08 -2.08 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1umd s THR 110 Cb -0.09 -2.37 0.26 0.00 1.34 0.00 0.00 72.50 71.64 1umd s THR 110 CO 0.01 -0.33 0.71 0.00 -0.54 0.00 0.00 174.62 174.47 1umd n ALA 111 N -0.49 3.68 -1.86 3.99 0.00 -1.26 -3.57 120.51 121.01 1umd n ALA 111 Ca -0.05 -4.41 -0.38 0.00 0.00 0.00 0.00 53.44 48.60 1umd n ALA 111 Cb 0.63 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 1umd n ALA 111 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1umd n PRO 112 N 0.86 2.14 -4.19 0.00 -0.04 -1.14 -2.97 135.00 129.66 1umd n PRO 112 Ca 0.28 -2.49 -0.12 0.00 -0.04 0.00 0.00 63.50 61.12 1umd n PRO 112 Cb 0.44 -3.37 -0.10 0.00 -0.04 0.00 0.00 33.50 30.43 1umd n PRO 112 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1umd s LEU 113 N 5.18 2.50 -0.04 1.53 0.05 -1.26 -4.11 118.68 122.52 1umd s LEU 113 Ca 0.58 -0.97 0.04 0.00 0.05 0.00 0.00 54.13 53.84 1umd s LEU 113 Cb 0.07 -0.20 -0.00 0.00 -2.05 0.00 0.00 46.19 44.01 1umd s LEU 113 CO 0.08 -0.39 -0.17 -0.69 -0.55 0.00 0.00 176.35 174.64 1umd s VAL 114 N -3.31 1.38 -0.33 1.48 1.01 -0.56 -1.93 120.40 118.14 1umd s VAL 114 Ca 0.12 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1umd s VAL 114 Cb 0.03 -1.18 0.08 0.00 0.00 0.00 0.00 36.38 35.31 1umd s VAL 114 CO -0.02 0.40 0.04 -0.69 0.00 0.00 0.00 175.10 174.83 1umd s VAL 115 N -0.01 2.70 0.19 2.92 1.01 0.08 -0.12 120.40 127.17 1umd s VAL 115 Ca -0.02 -1.88 -0.17 0.00 0.00 0.00 0.00 61.98 59.91 1umd s VAL 115 Cb -0.11 -2.76 -0.08 0.00 0.00 0.00 0.00 36.38 33.44 1umd s VAL 115 CO 0.02 -0.38 0.64 -0.13 0.00 0.00 0.00 175.10 175.25 1umd s ARG 116 N 1.09 4.11 -0.28 2.72 0.52 0.11 -0.60 118.95 126.62 1umd s ARG 116 Ca 0.02 0.68 -0.19 0.00 -0.52 0.00 0.00 55.73 55.72 1umd s ARG 116 Cb -0.20 -2.89 0.09 0.00 0.52 0.00 0.00 34.95 32.46 1umd s ARG 116 CO -0.05 0.43 0.74 0.00 0.02 0.00 0.00 175.30 176.44 1umd s MET 117 N -1.99 0.70 0.42 3.54 0.23 -0.55 -1.09 119.30 120.56 1umd s MET 117 Ca 0.41 1.09 -0.24 0.00 -1.03 0.00 0.00 55.69 55.92 1umd s MET 117 Cb -0.16 0.21 -0.08 0.00 -1.53 0.00 0.00 34.83 33.27 1umd s MET 117 CO 0.20 -0.13 1.10 -2.14 -2.03 0.00 0.00 175.02 172.03 1umd s PRO 118 N 1.22 3.99 0.23 3.16 0.02 -1.26 -0.92 135.00 141.44 1umd s PRO 118 Ca -0.07 1.64 -0.01 0.00 0.02 0.00 0.00 61.00 62.58 1umd s PRO 118 Cb -0.05 -2.49 0.00 0.00 0.02 0.00 0.00 34.50 31.98 1umd s PRO 118 CO -0.13 -0.32 0.32 -1.13 -0.33 0.00 0.00 177.00 175.40 1umd n SER 119 N -0.24 -0.87 0.00 2.53 3.41 0.31 -0.47 113.62 118.29 1umd n SER 119 Ca 0.06 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 1umd n SER 119 Cb 0.49 1.65 0.00 0.00 -0.26 0.00 0.00 64.21 66.09 1umd n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1umd n GLY 120 N -0.39 -2.45 0.00 5.00 0.00 -0.80 -1.19 105.19 105.35 1umd n GLY 120 Ca 0.01 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1umd n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umd n GLY 121 N -1.60 1.31 2.09 -0.02 0.00 -0.85 -4.30 105.19 101.82 1umd n GLY 121 Ca 0.00 -1.82 -0.00 0.00 0.00 0.00 0.00 46.02 44.20 1umd n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umd n GLY 122 N 5.00 0.46 0.47 -0.02 0.00 -1.26 -4.64 105.19 105.20 1umd n GLY 122 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.96 1umd n GLY 122 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1umd n VAL 123 N -2.91 1.49 -3.94 1.61 0.24 -1.26 -4.97 118.33 108.59 1umd n VAL 123 Ca -0.00 -2.10 -0.30 0.00 -2.04 0.00 0.00 64.34 59.90 1umd n VAL 123 Cb 0.05 0.01 0.02 0.00 -1.47 0.00 0.00 33.84 32.45 1umd n VAL 123 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1umd n ARG 124 N -0.90 -4.99 0.00 7.34 1.74 -1.26 -4.88 116.66 113.72 1umd n ARG 124 Ca 0.13 0.56 0.13 0.00 -0.77 0.00 0.00 57.85 57.90 1umd n ARG 124 Cb 0.72 -5.34 0.37 0.00 -1.02 0.00 0.00 32.46 27.19 1umd n ARG 124 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1umd n GLY 125 N -1.65 -0.20 7.00 -0.13 0.00 -1.26 -5.04 105.19 103.90 1umd n GLY 125 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1umd n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umd n GLY 126 N 1.29 0.86 0.32 -0.02 0.00 -1.26 -2.13 105.19 104.24 1umd n GLY 126 Ca 0.14 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.45 1umd n GLY 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1umd h HIS 127 N 0.00 0.90 -0.07 1.61 3.86 -1.76 -3.34 115.15 116.34 1umd h HIS 127 Ca 0.00 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 1umd h HIS 127 Cb 0.00 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 1umd h HIS 127 CO 0.00 0.70 -0.10 0.72 0.86 0.00 0.00 177.93 180.11 1umd n HIS 128 N -4.31 0.24 -2.08 2.45 8.25 -1.24 -4.45 115.22 114.08 1umd n HIS 128 Ca 0.05 -1.12 0.03 0.00 -0.26 0.00 0.00 57.72 56.42 1umd n HIS 128 Cb 0.17 -0.22 0.03 0.00 1.12 0.00 0.00 29.99 31.09 1umd n HIS 128 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1umd n HIS 129 N -1.20 0.00 -0.03 4.41 -0.00 -0.91 -4.63 115.22 112.86 1umd n HIS 129 Ca 0.19 -0.36 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 1umd n HIS 129 Cb 0.72 -0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.60 1umd n HIS 129 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1umd n SER 130 N -0.01 0.00 -4.66 0.41 7.64 -1.25 -4.35 113.62 111.39 1umd n SER 130 Ca 0.05 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.56 1umd n SER 130 Cb 0.86 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 64.13 1umd n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1umd n GLN 131 N 0.00 0.84 -3.69 1.43 6.02 -1.26 -2.00 117.38 118.72 1umd n GLN 131 Ca 0.00 0.34 -0.28 0.00 -0.01 0.00 0.00 57.00 57.05 1umd n GLN 131 Cb 0.00 -2.34 -0.12 0.00 1.02 0.00 0.00 30.24 28.80 1umd n GLN 131 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1umd s SER 132 N -1.45 3.44 -0.04 1.08 0.01 -1.26 -1.91 113.70 113.57 1umd s SER 132 Ca 0.78 -3.09 0.07 0.00 1.31 0.00 0.00 55.95 55.02 1umd s SER 132 Cb -0.38 -1.06 0.26 0.00 0.21 0.00 0.00 66.02 65.05 1umd s SER 132 CO 0.45 -0.19 1.08 -0.81 0.41 0.00 0.00 173.24 174.18 1umd n PRO 133 N 2.92 1.95 -0.30 12.44 -0.04 -1.26 -4.59 135.00 146.12 1umd n PRO 133 Ca 0.17 -1.02 0.26 0.00 -0.04 0.00 0.00 63.50 62.87 1umd n PRO 133 Cb 0.38 -1.45 0.58 0.00 -0.04 0.00 0.00 33.50 32.96 1umd n PRO 133 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1umd h GLU 134 N 1.47 0.27 -0.92 0.54 9.09 -1.99 -0.58 114.58 122.46 1umd h GLU 134 Ca 0.00 -0.02 0.09 0.00 0.05 0.00 0.00 59.36 59.49 1umd h GLU 134 Cb 0.65 -0.06 -0.07 0.00 -1.65 0.00 0.00 28.75 27.61 1umd h GLU 134 CO 0.08 0.18 0.56 0.00 0.05 0.00 0.00 179.01 179.88 1umd h ALA 135 N 1.57 1.33 -0.74 1.06 0.00 -1.91 0.57 119.26 121.13 1umd h ALA 135 Ca 0.57 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.53 1umd h ALA 135 Cb 1.67 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 1umd h ALA 135 CO -0.20 0.22 0.49 0.45 0.00 0.00 0.00 179.25 180.21 1umd h HIS 136 N 0.95 0.86 0.07 0.00 3.86 -1.46 -1.50 115.15 117.93 1umd h HIS 136 Ca 0.44 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.55 1umd h HIS 136 Cb 0.35 -0.29 0.01 0.00 1.06 0.00 0.00 27.41 28.55 1umd h HIS 136 CO -0.03 0.49 -0.51 0.74 0.86 0.00 0.00 177.93 179.49 1umd h PHE 137 N 0.88 0.38 -0.29 2.45 0.04 -1.18 -3.24 116.94 115.97 1umd h PHE 137 Ca 0.30 -0.25 0.01 0.00 2.80 0.00 0.00 57.97 60.83 1umd h PHE 137 Cb 0.08 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 1umd h PHE 137 CO -0.00 1.16 0.20 0.28 -0.60 0.00 0.00 178.31 179.35 1umd h VAL 138 N -0.51 1.04 0.00 -0.55 2.07 -0.82 -0.74 116.25 116.74 1umd h VAL 138 Ca -0.08 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1umd h VAL 138 Cb 1.35 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1umd h VAL 138 CO 0.10 0.06 0.00 -0.74 0.02 0.00 0.00 177.57 177.01 1umd h HIS 139 N 0.35 0.00 -3.28 1.57 -0.00 -1.36 -3.41 115.15 109.02 1umd h HIS 139 Ca 0.11 0.00 -0.69 0.00 -0.00 0.00 0.00 60.37 59.79 1umd h HIS 139 Cb 0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 27.41 27.26 1umd h HIS 139 CO -0.00 0.00 -0.02 0.99 -0.00 0.00 0.00 177.93 178.90 1umd s THR 140 N -3.26 4.94 0.28 6.26 2.01 -0.28 -5.04 115.64 120.54 1umd s THR 140 Ca 0.07 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 1umd s THR 140 Cb 0.10 -4.26 -0.12 0.00 0.01 0.00 0.00 72.50 68.23 1umd s THR 140 CO 0.50 -0.75 1.53 0.00 -0.69 0.00 0.00 174.62 175.21 1umd n ALA 141 N 5.99 2.04 0.00 7.40 0.00 -1.26 -2.98 120.51 131.70 1umd n ALA 141 Ca -0.07 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1umd n ALA 141 Cb 0.45 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1umd n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1umd n GLY 142 N 2.14 0.63 3.42 0.00 0.00 -1.26 -4.57 105.19 105.55 1umd n GLY 142 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1umd n GLY 142 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1umd s LEU 143 N 0.00 2.84 0.13 0.99 1.43 -1.16 -4.51 118.68 118.39 1umd s LEU 143 Ca 0.00 -0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 1umd s LEU 143 Cb 0.00 -1.64 -0.07 0.00 0.03 0.00 0.00 46.19 44.51 1umd s LEU 143 CO 0.00 0.20 0.52 -0.54 0.23 0.00 0.00 176.35 176.76 1umd s LYS 144 N 0.17 3.95 -0.08 1.70 1.02 -0.47 -4.84 119.74 121.19 1umd s LYS 144 Ca -0.06 0.45 0.00 0.00 0.02 0.00 0.00 55.97 56.39 1umd s LYS 144 Cb -0.15 -2.97 0.02 0.00 -0.52 0.00 0.00 37.83 34.22 1umd s LYS 144 CO 0.04 0.51 -0.07 0.08 -0.92 0.00 0.00 175.35 174.99 1umd s VAL 145 N -1.43 0.83 -0.03 3.17 1.01 -0.10 -0.78 120.40 123.08 1umd s VAL 145 Ca 0.36 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.16 1umd s VAL 145 Cb -0.15 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1umd s VAL 145 CO 0.19 0.32 -0.16 -0.69 0.00 0.00 0.00 175.10 174.75 1umd s VAL 146 N 1.35 1.34 -0.20 2.92 1.01 -0.32 -0.00 120.40 126.50 1umd s VAL 146 Ca -0.03 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 1umd s VAL 146 Cb -0.14 -1.14 0.06 0.00 0.00 0.00 0.00 36.38 35.17 1umd s VAL 146 CO -0.03 0.38 0.02 0.00 0.00 0.00 0.00 175.10 175.48 1umd s ALA 147 N -0.14 1.13 0.44 5.51 0.00 0.24 0.06 121.76 128.99 1umd s ALA 147 Ca 0.01 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 1umd s ALA 147 Cb -0.09 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 1umd s ALA 147 CO 0.01 -1.17 0.70 0.14 0.00 0.00 0.00 175.76 175.43 1umd s VAL 148 N 1.80 4.73 0.00 0.00 -7.23 -1.07 -4.11 120.40 114.51 1umd s VAL 148 Ca -0.02 -0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 1umd s VAL 148 Cb -0.17 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 33.00 1umd s VAL 148 CO -0.08 -0.64 0.05 -1.54 -0.31 0.00 0.00 175.10 172.59 1umd n SER 149 N -2.10 0.11 -4.05 4.85 3.41 -1.26 -4.32 113.62 110.26 1umd n SER 149 Ca -0.01 -0.95 -0.10 0.00 -0.26 0.00 0.00 58.87 57.55 1umd n SER 149 Cb 0.56 0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.41 1umd n SER 149 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1umd s THR 150 N -0.01 0.31 0.30 6.66 -4.23 -1.26 -5.02 115.64 112.39 1umd s THR 150 Ca 0.00 -1.26 -0.02 0.00 -1.18 0.00 0.00 61.69 59.23 1umd s THR 150 Cb 0.00 -0.78 0.27 0.00 1.34 0.00 0.00 72.50 73.32 1umd s THR 150 CO 0.00 -0.62 1.95 -0.65 -0.54 0.00 0.00 174.62 174.76 1umd h PRO 151 N 4.10 1.08 -0.18 3.99 0.11 -1.87 -0.10 132.00 139.13 1umd h PRO 151 Ca -0.34 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 1umd h PRO 151 Cb 1.19 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1umd h PRO 151 CO 0.49 0.72 0.11 -0.92 -0.21 0.00 0.00 178.00 178.18 1umd h TYR 152 N 1.12 0.23 -0.39 0.65 3.20 -1.90 -2.58 116.97 117.30 1umd h TYR 152 Ca 0.33 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.08 1umd h TYR 152 Cb -0.05 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1umd h TYR 152 CO -0.00 0.18 -0.24 -0.44 -1.64 0.00 0.00 178.16 176.03 1umd h ASP 153 N 0.21 0.80 -0.07 -2.11 3.32 -1.90 -2.62 116.42 114.06 1umd h ASP 153 Ca 0.06 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 56.86 1umd h ASP 153 Cb 0.02 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.29 1umd h ASP 153 CO -0.01 1.01 -0.32 0.00 -1.72 0.00 0.00 179.24 178.20 1umd h ALA 154 N 1.05 -0.41 0.06 3.45 0.00 -0.75 0.23 119.26 122.89 1umd h ALA 154 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1umd h ALA 154 Cb 0.75 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1umd h ALA 154 CO 0.06 -0.81 -0.03 -0.22 0.00 0.00 0.00 179.25 178.25 1umd h LYS 155 N -0.43 -0.08 -0.75 0.00 3.64 -1.47 -1.90 116.57 115.58 1umd h LYS 155 Ca 0.08 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1umd h LYS 155 Cb 0.55 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 1umd h LYS 155 CO -0.31 0.15 0.50 0.78 -2.27 0.00 0.00 179.45 178.30 1umd h GLY 156 N -0.31 1.06 1.90 5.01 0.00 -1.27 -1.84 103.07 107.62 1umd h GLY 156 Ca -0.01 -0.39 -0.23 0.00 0.00 0.00 0.00 47.33 46.70 1umd h GLY 156 CO 0.01 0.39 -1.05 1.41 0.00 0.00 0.00 176.54 177.30 1umd h LEU 157 N 1.02 0.12 -0.47 3.11 3.38 -0.61 -2.06 115.31 119.80 1umd h LEU 157 Ca 0.28 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 1umd h LEU 157 Cb -0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1umd h LEU 157 CO -0.06 1.09 -0.26 0.25 0.09 0.00 0.00 178.44 179.55 1umd h LEU 158 N 0.02 1.03 -0.63 1.67 5.85 -1.27 0.13 115.31 122.12 1umd h LEU 158 Ca -0.04 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 1umd h LEU 158 Cb 1.81 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.52 1umd h LEU 158 CO 0.15 1.22 0.24 0.11 -0.34 0.00 0.00 178.44 179.81 1umd h LYS 159 N 0.85 0.94 -0.66 1.25 1.57 -1.37 -0.77 116.57 118.38 1umd h LYS 159 Ca 0.10 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1umd h LYS 159 Cb 0.84 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 1umd h LYS 159 CO 0.07 0.81 0.32 0.00 -0.57 0.00 0.00 179.45 180.08 1umd h ALA 160 N 1.09 0.85 -0.61 3.86 0.00 -1.06 -2.38 119.26 121.02 1umd h ALA 160 Ca 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1umd h ALA 160 Cb 0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1umd h ALA 160 CO -0.01 0.41 0.29 0.00 0.00 0.00 0.00 179.25 179.93 1umd h ALA 161 N 1.15 0.78 0.00 0.00 0.00 -0.36 0.16 119.26 120.98 1umd h ALA 161 Ca 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1umd h ALA 161 Cb 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1umd h ALA 161 CO -0.03 0.35 -0.16 0.82 0.00 0.00 0.00 179.25 180.23 1umd h ILE 162 N 0.83 1.09 0.00 0.00 2.04 -0.89 -2.18 117.51 118.41 1umd h ILE 162 Ca 0.21 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1umd h ILE 162 Cb 0.13 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1umd h ILE 162 CO -0.03 0.16 -0.86 0.03 0.00 0.00 0.00 178.15 177.45 1umd h ARG 163 N 0.00 0.00 -6.70 2.37 3.08 -0.92 -3.46 114.38 108.75 1umd h ARG 163 Ca -0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 1umd h ARG 163 Cb 0.29 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.37 1umd h ARG 163 CO 0.02 0.14 0.65 0.34 -1.07 0.00 0.00 179.97 180.06 1umd s ASP 164 N -5.77 6.88 0.27 7.04 -1.08 -0.00 -4.92 116.67 119.08 1umd s ASP 164 Ca 0.01 2.43 0.25 0.00 -0.52 0.00 0.00 52.55 54.72 1umd s ASP 164 Cb 0.08 -2.61 0.67 0.00 -1.46 0.00 0.00 42.92 39.60 1umd s ASP 164 CO 0.77 -0.53 1.71 -0.33 0.52 0.00 0.00 175.17 177.31 1umd h GLU 165 N 5.21 0.00 -6.57 4.34 4.39 -1.89 -3.43 114.58 116.63 1umd h GLU 165 Ca -0.45 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 58.73 1umd h GLU 165 Cb 1.22 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.83 1umd h GLU 165 CO 0.76 0.00 0.08 -0.51 -1.16 0.00 0.00 179.01 178.18 1umd s ASP 166 N -4.97 6.96 0.27 1.42 1.01 -1.26 -2.87 116.67 117.22 1umd s ASP 166 Ca 0.09 1.34 -0.31 0.00 0.71 0.00 0.00 52.55 54.38 1umd s ASP 166 Cb 0.10 -2.39 -0.12 0.00 1.01 0.00 0.00 42.92 41.53 1umd s ASP 166 CO 0.62 -0.02 1.64 -2.84 0.21 0.00 0.00 175.17 174.79 1umd s PRO 167 N -2.22 4.11 -0.09 8.23 0.02 -1.16 -4.55 135.00 139.35 1umd s PRO 167 Ca 0.45 2.60 0.02 0.00 0.02 0.00 0.00 61.00 64.09 1umd s PRO 167 Cb -0.15 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.35 1umd s PRO 167 CO 0.20 -0.68 -0.15 0.08 -0.33 0.00 0.00 177.00 176.11 1umd s VAL 168 N 0.37 1.45 -0.32 3.83 1.01 -0.81 -1.37 120.40 124.55 1umd s VAL 168 Ca 0.67 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 1umd s VAL 168 Cb -0.49 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1umd s VAL 168 CO 0.43 0.43 0.32 -0.69 0.00 0.00 0.00 175.10 175.59 1umd s VAL 169 N 0.82 5.21 -0.38 2.92 1.01 0.04 -0.74 120.40 129.28 1umd s VAL 169 Ca -0.10 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 1umd s VAL 169 Cb -0.16 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.55 1umd s VAL 169 CO 0.01 0.03 0.18 0.12 0.00 0.00 0.00 175.10 175.44 1umd s PHE 170 N 1.95 3.30 -0.15 5.22 5.36 0.23 -1.18 117.98 132.71 1umd s PHE 170 Ca 0.11 -1.42 -0.13 0.00 -0.96 0.00 0.00 56.93 54.53 1umd s PHE 170 Cb -0.16 -2.58 -0.05 0.00 -0.34 0.00 0.00 43.02 39.89 1umd s PHE 170 CO 0.11 -0.77 0.28 -0.51 -1.46 0.00 0.00 175.22 172.87 1umd s LEU 171 N 1.43 4.27 -0.33 6.12 1.02 0.11 -1.49 118.68 129.80 1umd s LEU 171 Ca 0.01 0.51 0.02 0.00 0.02 0.00 0.00 54.13 54.69 1umd s LEU 171 Cb -0.21 -2.34 0.09 0.00 0.02 0.00 0.00 46.19 43.74 1umd s LEU 171 CO 0.03 0.14 0.04 -1.61 0.02 0.00 0.00 176.35 174.97 1umd s GLU 172 N 0.25 1.86 -0.28 1.70 2.02 -0.10 -2.61 118.70 121.55 1umd s GLU 172 Ca 0.16 -1.68 -0.28 0.00 0.02 0.00 0.00 54.97 53.19 1umd s GLU 172 Cb -0.13 -3.22 -0.06 0.00 0.10 0.00 0.00 34.13 30.83 1umd s GLU 172 CO 0.04 -0.85 2.27 -2.30 0.02 0.00 0.00 175.26 174.44 1umd n PRO 173 N 4.41 1.76 0.25 0.39 -0.02 -1.26 -0.53 135.00 139.99 1umd n PRO 173 Ca -0.03 0.42 0.12 0.00 -2.02 0.00 0.00 63.50 61.99 1umd n PRO 173 Cb 0.42 -3.26 0.77 0.00 -0.02 0.00 0.00 33.50 31.40 1umd n PRO 173 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1umd h LYS 174 N 15.94 0.00 0.00 -0.52 2.10 -1.45 -0.14 116.57 132.50 1umd h LYS 174 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1umd h LYS 174 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1umd h LYS 174 CO 1.00 0.00 0.00 0.07 -2.00 0.00 0.00 179.45 178.52 1umd h ARG 175 N 0.00 0.00 -0.25 0.07 0.11 -1.82 -2.29 114.38 110.20 1umd h ARG 175 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1umd h ARG 175 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 1umd h ARG 175 CO -0.00 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.35 1umd n LEU 176 N -2.31 3.10 -0.19 0.08 4.77 -0.07 -4.32 117.00 118.06 1umd n LEU 176 Ca 0.01 -1.36 0.11 0.00 -0.03 0.00 0.00 56.01 54.74 1umd n LEU 176 Cb 0.20 -0.16 0.41 0.00 -2.33 0.00 0.00 43.42 41.55 1umd n LEU 176 CO 0.19 0.64 1.21 1.88 -1.33 0.00 0.00 177.39 179.98 1umd h TYR 177 N 3.99 0.68 0.00 -1.77 0.05 -1.41 -3.27 116.97 115.24 1umd h TYR 177 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1umd h TYR 177 Cb 0.89 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.42 1umd h TYR 177 CO 0.16 0.30 -0.41 0.54 -1.05 0.00 0.00 178.16 177.71 1umd n ARG 178 N -4.50 0.00 0.29 4.88 1.74 -1.26 -1.96 116.66 115.85 1umd n ARG 178 Ca 0.13 -0.87 0.18 0.00 -0.77 0.00 0.00 57.85 56.52 1umd n ARG 178 Cb 0.38 -0.46 0.84 0.00 -1.02 0.00 0.00 32.46 32.19 1umd n ARG 178 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1umd h SER 179 N 0.00 0.00 -5.00 0.55 4.64 -1.75 -3.45 113.55 108.54 1umd h SER 179 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1umd h SER 179 Cb 1.33 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.23 1umd h SER 179 CO 0.00 0.03 0.14 0.54 -0.87 0.00 0.00 176.83 176.66 1umd s VAL 180 N -3.87 0.01 -0.33 0.95 0.11 -1.26 -5.12 120.40 110.88 1umd s VAL 180 Ca -0.01 -0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 58.92 1umd s VAL 180 Cb 0.11 -0.96 0.05 0.00 -1.53 0.00 0.00 36.38 34.04 1umd s VAL 180 CO 0.51 -0.04 0.08 -0.54 -3.33 0.00 0.00 175.10 171.79 1umd s LYS 181 N -1.56 2.51 0.24 1.54 1.02 -1.26 -4.26 119.74 117.97 1umd s LYS 181 Ca -0.10 -1.27 0.08 0.00 0.02 0.00 0.00 55.97 54.71 1umd s LYS 181 Cb -0.01 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 1umd s LYS 181 CO 0.06 -0.69 0.08 -2.00 -0.92 0.00 0.00 175.35 171.88 1umd s GLU 182 N 1.33 2.59 -0.06 1.68 2.12 -0.70 -4.68 118.70 120.98 1umd s GLU 182 Ca -0.02 -1.19 -0.30 0.00 0.36 0.00 0.00 54.97 53.82 1umd s GLU 182 Cb -0.20 -2.38 -0.05 0.00 0.26 0.00 0.00 34.13 31.76 1umd s GLU 182 CO 0.01 0.40 1.55 -2.00 -0.54 0.00 0.00 175.26 174.68 1umd s GLU 183 N -3.56 4.20 -0.20 4.30 2.56 -1.26 -1.06 118.70 123.69 1umd s GLU 183 Ca 0.31 2.07 -0.01 0.00 0.00 0.00 0.00 54.97 57.35 1umd s GLU 183 Cb -0.08 -3.87 0.05 0.00 2.00 0.00 0.00 34.13 32.23 1umd s GLU 183 CO 0.22 -0.78 -0.04 0.08 -0.56 0.00 0.00 175.26 174.18 1umd s VAL 184 N 3.66 1.14 0.26 3.70 1.01 0.25 -4.68 120.40 125.73 1umd s VAL 184 Ca 0.69 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 1umd s VAL 184 Cb -0.31 -1.41 -0.14 0.00 0.00 0.00 0.00 36.38 34.52 1umd s VAL 184 CO 0.27 -0.02 1.23 -2.65 0.00 0.00 0.00 175.10 173.93 1umd n PRO 185 N 4.84 1.69 0.11 2.72 -0.02 -1.26 -1.17 135.00 141.90 1umd n PRO 185 Ca -0.11 0.60 -0.02 0.00 -2.02 0.00 0.00 63.50 61.94 1umd n PRO 185 Cb 0.46 -2.13 0.02 0.00 -0.02 0.00 0.00 33.50 31.83 1umd n PRO 185 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1umd h GLU 186 N 3.17 0.00 -7.27 -0.52 4.39 -1.99 -3.46 114.58 108.90 1umd h GLU 186 Ca -0.43 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.76 1umd h GLU 186 Cb 1.31 0.00 0.18 0.00 -0.10 0.00 0.00 28.75 30.14 1umd h GLU 186 CO 0.68 0.74 0.22 -1.83 -1.16 0.00 0.00 179.01 177.67 1umd s GLU 187 N -3.04 1.11 0.03 2.33 -1.05 -1.26 -4.94 118.70 111.88 1umd s GLU 187 Ca 0.01 1.30 -0.30 0.00 -0.15 0.00 0.00 54.97 55.82 1umd s GLU 187 Cb 0.10 -1.76 -0.05 0.00 -0.44 0.00 0.00 34.13 31.98 1umd s GLU 187 CO 0.78 -2.48 1.19 0.34 0.95 0.00 0.00 175.26 176.04 1umd s ASP 188 N -2.91 7.08 -0.01 0.83 2.15 -1.26 -5.01 116.67 117.54 1umd s ASP 188 Ca 0.65 1.96 -0.28 0.00 0.43 0.00 0.00 52.55 55.32 1umd s ASP 188 Cb -0.21 -2.57 0.06 0.00 -0.30 0.00 0.00 42.92 39.90 1umd s ASP 188 CO 0.58 -0.49 0.62 -0.72 -0.17 0.00 0.00 175.17 174.99 1umd s TYR 189 N 1.32 -0.57 0.32 -5.34 -0.85 -1.26 -5.18 117.35 105.79 1umd s TYR 189 Ca 0.58 0.88 0.04 0.00 -0.52 0.00 0.00 57.07 58.05 1umd s TYR 189 Cb -0.28 0.39 -0.06 0.00 0.38 0.00 0.00 41.96 42.38 1umd s TYR 189 CO 0.28 -0.62 0.06 0.95 -1.52 0.00 0.00 175.55 174.69 1umd s THR 190 N -1.62 1.19 0.10 -3.49 -4.23 -1.26 -4.55 115.64 101.77 1umd s THR 190 Ca -0.09 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.48 1umd s THR 190 Cb -0.01 -2.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.02 1umd s THR 190 CO 0.06 -0.01 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.20 1umd s LEU 191 N -3.48 2.33 -0.05 4.79 1.43 -0.88 -4.95 118.68 117.87 1umd s LEU 191 Ca 0.36 -0.71 -0.30 0.00 -1.03 0.00 0.00 54.13 52.46 1umd s LEU 191 Cb 0.09 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 1umd s LEU 191 CO 0.15 -0.04 1.22 -2.16 0.23 0.00 0.00 176.35 175.75 1umd s PRO 192 N -2.10 4.34 0.03 1.29 0.04 -1.26 -4.66 135.00 132.68 1umd s PRO 192 Ca 0.05 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 1umd s PRO 192 Cb -0.08 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 1umd s PRO 192 CO 0.04 -0.46 1.03 0.42 0.04 0.00 0.00 177.00 178.06 1umd s ILE 193 N 2.24 4.64 0.00 0.56 1.01 -1.26 -3.28 121.20 125.11 1umd s ILE 193 Ca 0.57 1.93 0.00 0.00 0.00 0.00 0.00 60.65 63.14 1umd s ILE 193 Cb -0.25 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 37.98 1umd s ILE 193 CO 0.22 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1umd n GLY 194 N 2.87 0.87 3.19 6.18 0.00 -1.26 -4.98 105.19 112.06 1umd n GLY 194 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1umd n GLY 194 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1umd s LYS 195 N -0.69 2.85 0.77 1.61 -0.14 -1.20 -3.66 119.74 119.27 1umd s LYS 195 Ca 0.00 -0.82 -0.12 0.00 -1.36 0.00 0.00 55.97 53.68 1umd s LYS 195 Cb 0.00 -2.17 0.05 0.00 -1.68 0.00 0.00 37.83 34.03 1umd s LYS 195 CO 0.00 0.17 1.12 0.00 -0.76 0.00 0.00 175.35 175.88 1umd s ALA 196 N 0.37 2.61 -0.10 5.17 0.00 -1.23 -4.50 121.76 124.07 1umd s ALA 196 Ca -0.18 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1umd s ALA 196 Cb -0.18 -3.02 0.01 0.00 0.00 0.00 0.00 23.12 19.93 1umd s ALA 196 CO 0.08 -1.50 -0.16 0.00 0.00 0.00 0.00 175.76 174.18 1umd s ALA 197 N -3.37 1.72 -0.26 0.00 0.00 0.10 -4.98 121.76 114.97 1umd s ALA 197 Ca 0.60 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 51.54 1umd s ALA 197 Cb -0.12 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.21 1umd s ALA 197 CO 0.52 0.00 1.03 -1.17 0.00 0.00 0.00 175.76 176.14 1umd s LEU 198 N 0.84 4.06 -0.05 0.00 1.98 -1.26 -0.97 118.68 123.28 1umd s LEU 198 Ca -0.09 1.26 0.17 0.00 -2.89 0.00 0.00 54.13 52.58 1umd s LEU 198 Cb -0.15 -3.51 -0.21 0.00 0.66 0.00 0.00 46.19 42.97 1umd s LEU 198 CO 0.01 -0.72 0.52 0.54 -1.89 0.00 0.00 176.35 174.81 1umd n ARG 199 N 6.44 0.65 -3.67 1.98 5.12 0.17 -4.94 116.66 122.42 1umd n ARG 199 Ca 0.12 0.10 -0.09 0.00 -1.93 0.00 0.00 57.85 56.04 1umd n ARG 199 Cb 0.46 -1.68 -0.09 0.00 -1.16 0.00 0.00 32.46 30.00 1umd n ARG 199 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1umd s ARG 200 N -2.82 0.58 0.06 5.56 0.52 -1.17 -4.91 118.95 116.77 1umd s ARG 200 Ca -0.06 0.98 -0.18 0.00 -0.52 0.00 0.00 55.73 55.96 1umd s ARG 200 Cb 0.08 0.10 -0.06 0.00 0.52 0.00 0.00 34.95 35.59 1umd s ARG 200 CO 0.83 -0.14 0.53 -2.00 0.02 0.00 0.00 175.30 174.54 1umd s GLU 201 N 1.33 4.10 0.27 3.54 2.12 -1.26 -0.74 118.70 128.05 1umd s GLU 201 Ca -0.08 0.62 -0.21 0.00 0.36 0.00 0.00 54.97 55.66 1umd s GLU 201 Cb -0.06 -3.19 0.02 0.00 0.26 0.00 0.00 34.13 31.16 1umd s GLU 201 CO -0.14 0.63 0.74 0.20 -0.54 0.00 0.00 175.26 176.16 1umd s GLY 202 N -1.18 -0.09 0.00 -1.50 0.00 -1.25 -4.63 107.32 98.66 1umd s GLY 202 Ca 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.73 1umd s GLY 202 CO 0.18 -0.08 0.16 0.58 0.00 0.00 0.00 173.10 173.94 1umd n LYS 203 N -0.46 0.22 -0.04 2.90 2.85 -1.07 -4.51 118.16 118.04 1umd n LYS 203 Ca -0.04 -0.16 -0.02 0.00 -1.05 0.00 0.00 58.31 57.04 1umd n LYS 203 Cb 0.59 -0.60 -0.14 0.00 -0.65 0.00 0.00 35.03 34.22 1umd n LYS 203 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1umd n ASP 204 N -0.08 0.22 -3.57 -5.58 8.00 0.40 -4.34 116.55 111.61 1umd n ASP 204 Ca 0.00 0.10 -0.16 0.00 0.71 0.00 0.00 54.79 55.43 1umd n ASP 204 Cb 0.12 1.05 -0.07 0.00 -0.02 0.00 0.00 41.12 42.21 1umd n ASP 204 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1umd s LEU 205 N -5.30 -0.57 -0.17 0.64 2.96 -1.13 -4.67 118.68 110.44 1umd s LEU 205 Ca -0.08 0.90 -0.03 0.00 -0.22 0.00 0.00 54.13 54.69 1umd s LEU 205 Cb 0.09 2.42 -0.02 0.00 0.50 0.00 0.00 46.19 49.18 1umd s LEU 205 CO 0.85 -0.49 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.46 1umd s THR 206 N -0.71 3.75 -0.35 3.68 2.01 0.04 0.36 115.64 124.41 1umd s THR 206 Ca -0.08 -0.40 -0.04 0.00 0.31 0.00 0.00 61.69 61.48 1umd s THR 206 Cb -0.02 -2.65 0.06 0.00 0.01 0.00 0.00 72.50 69.91 1umd s THR 206 CO 0.07 0.48 0.10 -0.76 -0.69 0.00 0.00 174.62 173.82 1umd s LEU 207 N 0.58 4.44 -0.17 4.42 1.43 0.76 -1.04 118.68 129.10 1umd s LEU 207 Ca -0.03 -1.44 -0.13 0.00 -1.03 0.00 0.00 54.13 51.50 1umd s LEU 207 Cb -0.14 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 1umd s LEU 207 CO 0.03 -0.37 0.28 -0.63 0.23 0.00 0.00 176.35 175.88 1umd s ILE 208 N 1.28 5.31 0.23 -0.59 1.01 -0.38 -1.13 121.20 126.94 1umd s ILE 208 Ca -0.00 0.51 -0.09 0.00 0.00 0.00 0.00 60.65 61.06 1umd s ILE 208 Cb -0.21 -3.62 0.04 0.00 0.01 0.00 0.00 42.46 38.68 1umd s ILE 208 CO -0.00 0.38 0.49 0.00 0.00 0.00 0.00 174.94 175.81 1umd s TYR 210 N -4.79 -0.06 0.00 0.00 -0.85 -1.26 -1.43 117.35 108.96 1umd s TYR 210 Ca 0.10 0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.66 1umd s TYR 210 Cb -0.03 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.83 1umd s TYR 210 CO 0.07 -0.17 0.00 0.41 -1.52 0.00 0.00 175.55 174.34 1umd n GLY 211 N -0.24 2.94 0.33 5.49 0.00 -1.26 -3.72 105.19 108.73 1umd n GLY 211 Ca -0.02 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.03 1umd n GLY 211 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1umd n THR 212 N 0.00 -0.39 1.34 2.61 -1.04 -1.26 -1.88 114.28 113.65 1umd n THR 212 Ca 0.00 2.09 0.13 0.00 -2.04 0.00 0.00 64.05 64.24 1umd n THR 212 Cb 0.00 -2.88 0.70 0.00 -1.82 0.00 0.00 70.33 66.33 1umd n THR 212 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1umd n VAL 213 N -5.47 0.10 -0.29 12.58 0.24 -1.24 -4.32 118.33 119.93 1umd n VAL 213 Ca 0.14 0.03 0.11 0.00 -2.04 0.00 0.00 64.34 62.58 1umd n VAL 213 Cb 0.45 -0.58 0.26 0.00 -1.47 0.00 0.00 33.84 32.50 1umd n VAL 213 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1umd h MET 214 N 0.00 0.21 -0.20 7.34 2.86 -1.56 -1.84 114.93 121.73 1umd h MET 214 Ca 0.00 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1umd h MET 214 Cb 0.23 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 1umd h MET 214 CO 0.00 0.14 -0.16 -1.35 1.06 0.00 0.00 176.91 176.60 1umd h PRO 215 N 0.22 -0.16 -0.47 -0.22 0.11 -1.84 -0.22 132.00 129.42 1umd h PRO 215 Ca 0.52 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.54 1umd h PRO 215 Cb 1.02 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1umd h PRO 215 CO -0.63 -0.11 -0.12 0.93 -0.21 0.00 0.00 178.00 177.86 1umd h GLU 216 N -0.17 0.86 -0.25 1.05 3.07 -1.71 -1.96 114.58 115.47 1umd h GLU 216 Ca 0.12 -0.30 -0.02 0.00 -0.50 0.00 0.00 59.36 58.67 1umd h GLU 216 Cb 0.35 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1umd h GLU 216 CO -0.31 0.93 0.10 0.28 -1.40 0.00 0.00 179.01 178.61 1umd h VAL 217 N 0.77 1.18 -0.59 3.13 2.07 -0.97 0.05 116.25 121.88 1umd h VAL 217 Ca 0.12 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 1umd h VAL 217 Cb 0.63 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1umd h VAL 217 CO 0.04 0.18 0.17 -0.07 0.02 0.00 0.00 177.57 177.92 1umd h LEU 218 N 0.25 0.83 -0.59 2.57 3.38 -0.99 -0.53 115.31 120.24 1umd h LEU 218 Ca 0.08 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1umd h LEU 218 Cb 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1umd h LEU 218 CO -0.01 0.79 -0.04 -0.61 0.09 0.00 0.00 178.44 178.67 1umd h GLN 219 N 0.87 1.07 -0.68 1.13 4.15 -1.12 -1.34 115.11 119.19 1umd h GLN 219 Ca 0.19 -0.36 -0.07 0.00 0.77 0.00 0.00 58.65 59.18 1umd h GLN 219 Cb 0.27 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 1umd h GLN 219 CO -0.01 1.06 0.15 0.00 -1.93 0.00 0.00 178.83 178.10 1umd h ALA 220 N 0.97 0.90 -0.58 3.38 0.00 -0.50 -1.32 119.26 122.10 1umd h ALA 220 Ca 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1umd h ALA 220 Cb 0.60 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1umd h ALA 220 CO 0.04 0.64 0.28 0.00 0.00 0.00 0.00 179.25 180.21 1umd h ALA 221 N 1.07 0.75 -0.46 0.00 0.00 -0.80 -0.58 119.26 119.25 1umd h ALA 221 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1umd h ALA 221 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1umd h ALA 221 CO 0.01 0.31 0.27 0.00 0.00 0.00 0.00 179.25 179.83 1umd h ALA 222 N 1.12 0.58 -0.22 0.00 0.00 -0.89 -1.71 119.26 118.14 1umd h ALA 222 Ca 0.20 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1umd h ALA 222 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1umd h ALA 222 CO -0.03 0.09 -0.19 0.93 0.00 0.00 0.00 179.25 180.05 1umd h GLU 223 N 0.60 0.39 -0.56 0.00 5.08 -0.95 -2.47 114.58 116.68 1umd h GLU 223 Ca 0.16 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1umd h GLU 223 Cb 0.02 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1umd h GLU 223 CO -0.03 0.57 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.45 1umd h LEU 224 N 0.36 0.97 -0.62 1.33 3.38 -0.71 -2.79 115.31 117.22 1umd h LEU 224 Ca 0.06 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.77 1umd h LEU 224 Cb 0.54 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1umd h LEU 224 CO 0.04 1.04 0.40 0.00 0.09 0.00 0.00 178.44 180.00 1umd h ALA 225 N 1.05 0.79 -0.52 1.53 0.00 -0.88 0.25 119.26 121.48 1umd h ALA 225 Ca 0.16 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1umd h ALA 225 Cb 0.57 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1umd h ALA 225 CO 0.03 0.17 0.35 0.87 0.00 0.00 0.00 179.25 180.67 1umd h LYS 226 N 0.79 0.39 -0.57 0.00 1.57 -1.21 0.10 116.57 117.64 1umd h LYS 226 Ca 0.24 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1umd h LYS 226 Cb -0.04 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1umd h LYS 226 CO -0.07 0.26 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 1umd n ALA 227 N -2.51 2.81 -1.08 3.86 0.00 -0.42 -4.89 120.51 118.27 1umd n ALA 227 Ca 0.07 -0.80 -0.03 0.00 0.00 0.00 0.00 53.44 52.69 1umd n ALA 227 Cb 0.29 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 1umd n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1umd n GLY 228 N 0.72 0.61 3.50 0.00 0.00 0.36 -5.02 105.19 105.34 1umd n GLY 228 Ca 0.13 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 1umd n GLY 228 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1umd s VAL 229 N -2.07 4.28 -0.54 1.61 1.01 0.73 -4.97 120.40 120.45 1umd s VAL 229 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.60 1umd s VAL 229 Cb 0.00 -2.95 0.09 0.00 0.00 0.00 0.00 36.38 33.52 1umd s VAL 229 CO 0.00 0.41 0.59 -0.55 0.00 0.00 0.00 175.10 175.55 1umd s SER 230 N 1.03 6.19 -0.08 3.32 0.15 -1.26 -2.47 113.70 120.58 1umd s SER 230 Ca 0.03 -1.36 -0.04 0.00 0.70 0.00 0.00 55.95 55.28 1umd s SER 230 Cb -0.14 -2.26 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 1umd s SER 230 CO 0.02 -0.93 0.12 0.00 1.20 0.00 0.00 173.24 173.65 1umd s ALA 231 N 2.29 3.78 -0.27 5.45 0.00 -1.26 -0.45 121.76 131.31 1umd s ALA 231 Ca 0.10 -0.72 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 1umd s ALA 231 Cb -0.24 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 1umd s ALA 231 CO 0.07 0.65 0.14 -2.00 0.00 0.00 0.00 175.76 174.63 1umd s GLU 232 N -1.31 3.84 -0.25 0.00 2.12 0.16 -3.94 118.70 119.31 1umd s GLU 232 Ca 0.19 -0.38 -0.10 0.00 0.36 0.00 0.00 54.97 55.04 1umd s GLU 232 Cb -0.12 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.70 1umd s GLU 232 CO 0.08 -0.17 0.15 0.08 -0.54 0.00 0.00 175.26 174.87 1umd s VAL 233 N 1.67 5.17 -0.22 3.70 1.01 0.08 -0.17 120.40 131.63 1umd s VAL 233 Ca 0.07 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.17 1umd s VAL 233 Cb -0.16 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.83 1umd s VAL 233 CO 0.08 0.31 -0.14 -0.22 0.00 0.00 0.00 175.10 175.13 1umd s LEU 234 N 1.38 2.80 -0.46 3.92 2.96 -0.28 -0.65 118.68 128.35 1umd s LEU 234 Ca 0.07 -0.93 -0.20 0.00 -0.22 0.00 0.00 54.13 52.84 1umd s LEU 234 Cb -0.15 -1.55 0.03 0.00 0.50 0.00 0.00 46.19 45.03 1umd s LEU 234 CO 0.07 -0.09 0.64 -0.62 -1.32 0.00 0.00 176.35 175.03 1umd s ASP 235 N 1.24 6.29 0.26 3.68 2.15 -0.15 -1.92 116.67 128.23 1umd s ASP 235 Ca -0.01 -0.51 -0.04 0.00 0.43 0.00 0.00 52.55 52.42 1umd s ASP 235 Cb -0.16 -2.31 0.36 0.00 -0.30 0.00 0.00 42.92 40.51 1umd s ASP 235 CO -0.08 -0.82 1.88 -0.07 -0.17 0.00 0.00 175.17 175.91 1umd h LEU 236 N 9.74 1.02 0.00 -1.34 3.38 -1.53 0.29 115.31 126.87 1umd h LEU 236 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1umd h LEU 236 Cb 1.09 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1umd h LEU 236 CO 0.92 0.67 0.00 0.54 0.09 0.00 0.00 178.44 180.66 1umd n ARG 237 N -4.50 0.00 -3.58 1.13 1.74 -1.26 -3.53 116.66 106.65 1umd n ARG 237 Ca 0.14 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.85 1umd n ARG 237 Cb 0.15 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.50 1umd n ARG 237 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1umd s THR 238 N 0.00 5.31 -0.14 0.55 2.01 -1.26 -0.59 115.64 121.52 1umd s THR 238 Ca 0.00 0.32 0.18 0.00 0.31 0.00 0.00 61.69 62.50 1umd s THR 238 Cb 0.00 -3.56 -0.12 0.00 0.01 0.00 0.00 72.50 68.82 1umd s THR 238 CO 0.00 0.31 0.83 0.18 -0.69 0.00 0.00 174.62 175.25 1umd n LEU 239 N 4.41 0.81 -3.36 4.42 4.77 1.00 -4.10 117.00 124.95 1umd n LEU 239 Ca -0.13 0.35 -0.07 0.00 -0.03 0.00 0.00 56.01 56.13 1umd n LEU 239 Cb 0.52 0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.60 1umd n LEU 239 CO 0.36 0.10 -0.00 -0.32 -1.33 0.00 0.00 177.39 176.19 1umd s MET 240 N -3.00 0.39 0.04 3.23 0.00 -1.01 -3.35 119.30 115.60 1umd s MET 240 Ca -0.03 0.69 -0.28 0.00 0.00 0.00 0.00 55.69 56.08 1umd s MET 240 Cb 0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 34.83 34.69 1umd s MET 240 CO 0.81 -0.58 0.87 -1.25 0.00 0.00 0.00 175.02 174.87 1umd s PRO 241 N 2.61 4.57 0.51 4.11 0.04 -1.26 -0.93 135.00 144.65 1umd s PRO 241 Ca 0.12 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 1umd s PRO 241 Cb -0.15 -3.40 -0.06 0.00 0.04 0.00 0.00 34.50 30.94 1umd s PRO 241 CO -0.16 0.16 0.90 1.67 0.04 0.00 0.00 177.00 179.61 1umd s TRP 242 N 0.29 3.53 -1.20 0.56 1.48 -1.21 -4.23 118.94 118.15 1umd s TRP 242 Ca 0.44 1.17 -0.22 0.00 -1.06 0.00 0.00 56.10 56.43 1umd s TRP 242 Cb -0.21 -2.58 -0.06 0.00 -1.16 0.00 0.00 33.47 29.46 1umd s TRP 242 CO 0.26 -0.37 1.90 0.34 -4.06 0.00 0.00 176.95 175.02 1umd s ASP 243 N -3.62 5.32 0.14 -2.66 -1.08 -1.24 -4.81 116.67 108.72 1umd s ASP 243 Ca 0.53 -1.78 -0.20 0.00 -0.52 0.00 0.00 52.55 50.59 1umd s ASP 243 Cb -0.10 -2.59 -0.00 0.00 -1.46 0.00 0.00 42.92 38.77 1umd s ASP 243 CO 0.40 -2.77 1.69 0.22 0.52 0.00 0.00 175.17 175.23 1umd h TYR 244 N 9.40 -0.20 -0.25 -5.34 3.20 -1.92 -2.32 116.97 119.54 1umd h TYR 244 Ca 0.25 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.17 1umd h TYR 244 Cb 0.93 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 1umd h TYR 244 CO 1.25 -0.14 0.10 0.93 -1.64 0.00 0.00 178.16 178.65 1umd h GLU 245 N -0.05 0.21 -0.78 1.82 4.39 -1.98 -0.74 114.58 117.45 1umd h GLU 245 Ca 0.11 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.84 1umd h GLU 245 Cb 0.22 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 1umd h GLU 245 CO -0.25 0.14 0.49 0.00 -1.16 0.00 0.00 179.01 178.22 1umd h ALA 246 N 1.15 1.05 0.19 3.43 0.00 -1.93 -0.59 119.26 122.56 1umd h ALA 246 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1umd h ALA 246 Cb 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1umd h ALA 246 CO -0.10 0.26 -0.09 0.28 0.00 0.00 0.00 179.25 179.59 1umd h VAL 247 N 0.93 0.91 -0.30 0.00 2.07 -1.04 -2.80 116.25 116.00 1umd h VAL 247 Ca 0.33 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1umd h VAL 247 Cb 0.08 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1umd h VAL 247 CO -0.14 0.13 -0.04 0.24 0.02 0.00 0.00 177.57 177.79 1umd h MET 248 N -0.56 0.47 -0.53 1.57 2.07 -0.99 -2.01 114.93 114.97 1umd h MET 248 Ca -0.03 -0.11 -0.09 0.00 -2.07 0.00 0.00 59.70 57.41 1umd h MET 248 Cb 0.42 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.06 1umd h MET 248 CO 0.04 0.53 -0.01 -0.91 1.07 0.00 0.00 176.91 177.64 1umd h ASN 249 N 0.45 0.92 0.14 1.22 2.35 -1.13 -1.09 115.58 118.44 1umd h ASN 249 Ca 0.10 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.53 1umd h ASN 249 Cb 0.36 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1umd h ASN 249 CO 0.01 1.00 -0.07 -1.28 -1.65 0.00 0.00 177.43 175.45 1umd h SER 250 N 0.81 -0.16 -0.44 5.81 0.87 -1.25 -2.50 113.55 116.70 1umd h SER 250 Ca 0.15 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 1umd h SER 250 Cb 0.54 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1umd h SER 250 CO 0.03 0.19 0.26 0.58 -0.53 0.00 0.00 176.83 177.36 1umd h VAL 251 N -0.52 1.14 -0.57 2.23 2.07 -1.38 -0.40 116.25 118.82 1umd h VAL 251 Ca -0.02 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 1umd h VAL 251 Cb 0.41 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1umd h VAL 251 CO 0.03 0.15 0.05 0.00 0.02 0.00 0.00 177.57 177.82 1umd h ALA 252 N 1.66 1.02 -0.09 1.67 0.00 -1.15 0.45 119.26 122.82 1umd h ALA 252 Ca 0.16 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1umd h ALA 252 Cb -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1umd h ALA 252 CO -0.03 0.62 -0.20 -0.22 0.00 0.00 0.00 179.25 179.42 1umd h LYS 253 N 0.88 0.29 0.08 0.00 3.64 -0.82 -3.35 116.57 117.29 1umd h LYS 253 Ca 0.17 -0.20 -0.29 0.00 -1.27 0.00 0.00 60.65 59.07 1umd h LYS 253 Cb 0.44 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1umd h LYS 253 CO 0.02 0.80 -1.45 1.79 -2.27 0.00 0.00 179.45 178.33 1umd h THR 254 N -0.17 1.22 0.00 1.00 1.35 -1.07 -3.48 112.91 111.76 1umd h THR 254 Ca 0.00 -2.90 0.00 0.00 -0.55 0.00 0.00 66.41 62.96 1umd h THR 254 Cb 0.79 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.94 1umd h THR 254 CO 0.04 0.80 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 1umd n GLY 255 N 1.59 2.45 2.91 5.82 0.00 0.16 -4.70 105.19 113.42 1umd n GLY 255 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 1umd n GLY 255 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1umd s ARG 256 N -0.05 0.04 -0.03 1.61 3.03 -1.26 0.10 118.95 122.40 1umd s ARG 256 Ca 0.00 0.06 -0.03 0.00 2.03 0.00 0.00 55.73 57.79 1umd s ARG 256 Cb 0.00 0.01 0.01 0.00 -1.03 0.00 0.00 34.95 33.94 1umd s ARG 256 CO 0.00 -0.01 0.08 0.54 -1.13 0.00 0.00 175.30 174.78 1umd s VAL 257 N 0.06 0.02 -0.10 4.99 0.11 -1.26 -0.78 120.40 123.43 1umd s VAL 257 Ca -0.00 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 58.92 1umd s VAL 257 Cb -0.01 -0.17 0.02 0.00 -1.53 0.00 0.00 36.38 34.69 1umd s VAL 257 CO -0.00 -0.08 -0.14 -0.69 -3.33 0.00 0.00 175.10 170.86 1umd s VAL 258 N -0.22 1.43 -0.14 2.04 1.01 -0.20 -1.85 120.40 122.47 1umd s VAL 258 Ca -0.03 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1umd s VAL 258 Cb -0.02 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1umd s VAL 258 CO 0.00 0.43 0.01 -0.76 0.00 0.00 0.00 175.10 174.77 1umd s LEU 259 N 1.00 3.54 -0.03 3.92 1.02 0.68 -1.25 118.68 127.57 1umd s LEU 259 Ca -0.07 0.04 0.05 0.00 0.02 0.00 0.00 54.13 54.17 1umd s LEU 259 Cb -0.15 -1.85 -0.01 0.00 0.02 0.00 0.00 46.19 44.20 1umd s LEU 259 CO -0.01 0.25 -0.17 -0.69 0.02 0.00 0.00 176.35 175.74 1umd s VAL 260 N -0.11 1.38 -0.06 -1.59 1.01 0.67 -0.44 120.40 121.26 1umd s VAL 260 Ca 0.04 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 1umd s VAL 260 Cb -0.13 -1.17 0.10 0.00 0.00 0.00 0.00 36.38 35.19 1umd s VAL 260 CO 0.02 0.40 0.85 -0.55 0.00 0.00 0.00 175.10 175.82 1umd s SER 261 N -0.22 -0.46 0.00 3.32 0.15 -0.77 -4.14 113.70 111.57 1umd s SER 261 Ca 0.02 0.34 0.27 0.00 0.70 0.00 0.00 55.95 57.28 1umd s SER 261 Cb -0.09 0.41 0.75 0.00 -1.71 0.00 0.00 66.02 65.39 1umd s SER 261 CO 0.00 -0.54 1.57 -0.90 1.20 0.00 0.00 173.24 174.58 1umd n ASP 262 N 0.42 1.81 -4.79 5.45 5.75 -1.26 -2.62 116.55 121.31 1umd n ASP 262 Ca -0.13 -1.53 -0.35 0.00 -0.01 0.00 0.00 54.79 52.78 1umd n ASP 262 Cb 0.59 0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.70 1umd n ASP 262 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1umd s ALA 263 N -2.10 2.88 0.27 2.12 0.00 -1.26 -3.59 121.76 120.09 1umd s ALA 263 Ca 0.33 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.66 1umd s ALA 263 Cb 0.20 -3.28 -0.14 0.00 0.00 0.00 0.00 23.12 19.91 1umd s ALA 263 CO 0.37 -0.37 1.11 -2.30 0.00 0.00 0.00 175.76 174.56 1umd n PRO 264 N -0.86 1.48 0.23 0.00 -0.02 -1.26 -1.52 135.00 133.05 1umd n PRO 264 Ca 0.09 0.52 -0.16 0.00 -2.02 0.00 0.00 63.50 61.93 1umd n PRO 264 Cb 0.52 -1.97 -0.09 0.00 -0.02 0.00 0.00 33.50 31.94 1umd n PRO 264 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1umd h ARG 265 N 2.52 -0.81 -6.19 -0.52 2.43 -1.63 -3.37 114.38 106.81 1umd h ARG 265 Ca -0.41 0.06 -0.66 0.00 -0.81 0.00 0.00 59.98 58.15 1umd h ARG 265 Cb 1.33 0.18 0.01 0.00 -0.42 0.00 0.00 29.97 31.07 1umd h ARG 265 CO 0.64 -0.54 1.10 0.72 -1.51 0.00 0.00 179.97 180.37 1umd n HIS 266 N -5.09 2.14 -2.92 2.20 8.25 -1.26 -1.64 115.22 116.89 1umd n HIS 266 Ca -0.10 0.20 -0.22 0.00 -0.26 0.00 0.00 57.72 57.34 1umd n HIS 266 Cb 0.40 -2.59 0.02 0.00 1.12 0.00 0.00 29.99 28.94 1umd n HIS 266 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1umd n ALA 267 N 6.84 -0.91 -1.92 -1.41 0.00 -1.26 -4.98 120.51 116.86 1umd n ALA 267 Ca 0.27 0.22 -0.28 0.00 0.00 0.00 0.00 53.44 53.64 1umd n ALA 267 Cb 0.24 -3.24 0.11 0.00 0.00 0.00 0.00 19.45 16.56 1umd n ALA 267 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1umd s SER 268 N -2.54 4.17 0.16 0.00 1.04 -0.65 -4.92 113.70 110.96 1umd s SER 268 Ca 0.24 0.54 -0.12 0.00 0.48 0.00 0.00 55.95 57.09 1umd s SER 268 Cb -0.11 -0.93 0.04 0.00 0.10 0.00 0.00 66.02 65.12 1umd s SER 268 CO 0.30 -2.08 1.64 0.15 0.98 0.00 0.00 173.24 174.23 1umd h PHE 269 N -1.12 0.96 0.00 5.02 3.57 -1.88 -2.42 116.94 121.07 1umd h PHE 269 Ca -0.45 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 60.88 1umd h PHE 269 Cb 1.30 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 1umd h PHE 269 CO -0.11 0.86 -0.17 -0.39 -2.23 0.00 0.00 178.31 176.27 1umd h VAL 270 N 0.78 0.77 -0.23 1.41 -1.51 -1.94 -0.12 116.25 115.41 1umd h VAL 270 Ca 0.16 -0.68 -0.09 0.00 -1.23 0.00 0.00 66.70 64.86 1umd h VAL 270 Cb 0.43 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 30.99 1umd h VAL 270 CO 0.01 0.17 -0.22 0.28 -1.23 0.00 0.00 177.57 176.58 1umd h SER 271 N 0.00 0.42 -0.12 4.19 0.02 -1.74 0.38 113.55 116.70 1umd h SER 271 Ca -0.00 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1umd h SER 271 Cb 0.40 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 1umd h SER 271 CO 0.02 0.65 -0.01 -0.08 -1.14 0.00 0.00 176.83 176.28 1umd h GLU 272 N 0.38 0.23 -0.56 3.45 4.57 -0.72 -0.79 114.58 121.14 1umd h GLU 272 Ca 0.06 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 1umd h GLU 272 Cb 0.60 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 1umd h GLU 272 CO 0.04 0.49 0.22 0.28 -1.18 0.00 0.00 179.01 178.86 1umd h VAL 273 N -0.06 1.22 -0.43 0.32 2.07 -1.14 -1.35 116.25 116.88 1umd h VAL 273 Ca 0.03 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1umd h VAL 273 Cb 0.39 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1umd h VAL 273 CO 0.01 0.27 0.27 0.00 0.02 0.00 0.00 177.57 178.14 1umd h ALA 274 N 1.07 0.55 -0.69 1.67 0.00 -0.86 -0.06 119.26 120.94 1umd h ALA 274 Ca 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1umd h ALA 274 Cb 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1umd h ALA 274 CO -0.01 0.03 0.30 0.00 0.00 0.00 0.00 179.25 179.56 1umd h ALA 275 N 1.14 1.23 -0.47 0.00 0.00 -0.94 -1.66 119.26 118.56 1umd h ALA 275 Ca 0.16 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1umd h ALA 275 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1umd h ALA 275 CO -0.03 0.57 -0.22 1.15 0.00 0.00 0.00 179.25 180.72 1umd h THR 276 N 0.98 1.27 -0.45 0.00 2.02 -0.76 -1.08 112.91 114.90 1umd h THR 276 Ca 0.24 -1.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.01 1umd h THR 276 Cb 0.15 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1umd h THR 276 CO -0.03 0.48 0.21 0.40 0.37 0.00 0.00 175.52 176.95 1umd h ILE 277 N 0.82 1.19 -0.59 3.11 2.04 -0.67 -0.95 117.51 122.46 1umd h ILE 277 Ca 0.10 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 1umd h ILE 277 Cb 0.80 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1umd h ILE 277 CO 0.07 0.20 0.13 0.00 0.00 0.00 0.00 178.15 178.55 1umd h ALA 278 N 1.06 1.11 -0.13 1.87 0.00 -1.19 0.27 119.26 122.24 1umd h ALA 278 Ca 0.15 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1umd h ALA 278 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1umd h ALA 278 CO -0.02 0.59 -0.62 1.49 0.00 0.00 0.00 179.25 180.70 1umd h GLU 279 N 0.89 0.47 0.00 0.00 4.81 -0.92 -3.20 114.58 116.64 1umd h GLU 279 Ca 0.19 -0.33 -0.11 0.00 -0.13 0.00 0.00 59.36 58.98 1umd h GLU 279 Cb 0.34 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1umd h GLU 279 CO 0.00 0.94 -2.00 -0.25 -0.73 0.00 0.00 179.01 176.98 1umd n ASP 280 N -3.91 0.60 -0.85 1.04 8.00 -0.38 -4.67 116.55 116.36 1umd n ASP 280 Ca -0.04 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.51 1umd n ASP 280 Cb 0.64 1.57 0.16 0.00 -0.02 0.00 0.00 41.12 43.47 1umd n ASP 280 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1umd n LEU 281 N -2.33 2.42 -0.25 0.64 4.77 0.96 -4.83 117.00 118.37 1umd n LEU 281 Ca -0.12 -3.53 0.05 0.00 -0.03 0.00 0.00 56.01 52.38 1umd n LEU 281 Cb 0.70 -0.40 0.18 0.00 -2.33 0.00 0.00 43.42 41.56 1umd n LEU 281 CO 0.40 1.24 0.99 0.25 -1.33 0.00 0.00 177.39 178.93 1umd h LEU 282 N 1.05 0.19 -2.21 2.23 5.85 -1.65 0.13 115.31 120.90 1umd h LEU 282 Ca -0.04 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1umd h LEU 282 Cb 1.21 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1umd h LEU 282 CO 0.05 0.05 0.00 -2.24 -0.34 0.00 0.00 178.44 175.96 1umd h ASP 283 N 0.38 0.00 0.01 1.25 2.03 -1.90 -2.39 116.42 115.79 1umd h ASP 283 Ca 0.41 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.71 1umd h ASP 283 Cb 0.65 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.15 1umd h ASP 283 CO -0.44 0.00 -0.40 0.23 -1.03 0.00 0.00 179.24 177.60 1umd n MET 284 N -2.94 1.29 -2.91 4.15 2.81 0.01 -4.94 117.12 114.58 1umd n MET 284 Ca -0.01 -1.05 -0.41 0.00 -1.81 0.00 0.00 57.70 54.42 1umd n MET 284 Cb 0.15 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 31.14 1umd n MET 284 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1umd s LEU 285 N -2.43 4.19 0.01 4.03 1.43 -0.90 -4.26 118.68 120.75 1umd s LEU 285 Ca 0.20 1.17 0.22 0.00 -1.03 0.00 0.00 54.13 54.69 1umd s LEU 285 Cb 0.18 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.14 1umd s LEU 285 CO 0.54 -0.36 0.98 0.18 0.23 0.00 0.00 176.35 177.92 1umd n LEU 286 N 5.03 0.74 -3.71 1.79 4.77 0.29 -4.96 117.00 120.94 1umd n LEU 286 Ca 0.04 -0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 55.65 1umd n LEU 286 Cb 0.49 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 1umd n LEU 286 CO 0.48 0.16 0.15 0.00 -1.33 0.00 0.00 177.39 176.85 1umd s ALA 287 N -3.09 -0.77 0.46 -1.18 0.00 -1.18 -4.90 121.76 111.10 1umd s ALA 287 Ca 0.06 -0.23 -0.23 0.00 0.00 0.00 0.00 51.96 51.56 1umd s ALA 287 Cb 0.16 0.74 -0.07 0.00 0.00 0.00 0.00 23.12 23.94 1umd s ALA 287 CO 0.83 -0.67 1.21 -2.14 0.00 0.00 0.00 175.76 174.99 1umd s PRO 288 N -3.84 3.72 -0.14 0.00 0.02 -1.26 -4.76 135.00 128.73 1umd s PRO 288 Ca 0.06 1.89 -0.29 0.00 0.02 0.00 0.00 61.00 62.68 1umd s PRO 288 Cb 0.02 -2.45 -0.04 0.00 0.02 0.00 0.00 34.50 32.05 1umd s PRO 288 CO -0.08 -0.62 1.63 -2.14 -0.33 0.00 0.00 177.00 175.46 1umd s PRO 289 N -2.64 3.97 -0.16 5.54 0.02 -1.26 -4.66 135.00 135.81 1umd s PRO 289 Ca 0.63 1.90 -0.08 0.00 0.02 0.00 0.00 61.00 63.48 1umd s PRO 289 Cb -0.32 -4.01 -0.04 0.00 0.02 0.00 0.00 34.50 30.15 1umd s PRO 289 CO 0.38 -1.09 0.11 0.42 -0.33 0.00 0.00 177.00 176.50 1umd s ILE 290 N 4.69 5.25 -0.19 2.83 1.01 -0.77 -5.00 121.20 129.02 1umd s ILE 290 Ca 0.72 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 61.46 1umd s ILE 290 Cb -0.29 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 1umd s ILE 290 CO 0.29 0.52 -0.05 -0.13 0.00 0.00 0.00 174.94 175.57 1umd s ARG 291 N -0.24 3.49 -0.37 2.79 0.52 -1.26 -0.23 118.95 123.65 1umd s ARG 291 Ca 0.10 -0.59 -0.04 0.00 -0.52 0.00 0.00 55.73 54.68 1umd s ARG 291 Cb -0.12 -2.94 0.07 0.00 0.52 0.00 0.00 34.95 32.49 1umd s ARG 291 CO 0.01 0.01 0.14 0.08 0.02 0.00 0.00 175.30 175.56 1umd s VAL 292 N 0.95 3.49 0.37 3.52 1.01 0.41 -4.96 120.40 125.19 1umd s VAL 292 Ca -0.00 -1.56 0.04 0.00 0.00 0.00 0.00 61.98 60.45 1umd s VAL 292 Cb -0.15 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1umd s VAL 292 CO 0.01 -0.39 0.13 0.42 0.00 0.00 0.00 175.10 175.26 1umd s THR 293 N 1.28 0.63 0.70 3.92 -4.23 -1.25 -1.85 115.64 114.83 1umd s THR 293 Ca 0.02 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.39 1umd s THR 293 Cb -0.21 -2.46 0.02 0.00 1.34 0.00 0.00 72.50 71.19 1umd s THR 293 CO -0.01 0.00 1.11 -0.83 -0.54 0.00 0.00 174.62 174.35 1umd s GLY 294 N -3.54 2.01 0.71 3.99 0.00 -0.58 -4.83 107.32 105.09 1umd s GLY 294 Ca 0.29 0.47 -0.11 0.00 0.00 0.00 0.00 44.72 45.37 1umd s GLY 294 CO 0.15 0.83 1.07 -1.36 0.00 0.00 0.00 173.10 173.79 1umd s PHE 295 N -2.50 3.13 -1.52 1.90 0.08 -1.26 -2.07 117.98 115.74 1umd s PHE 295 Ca 0.65 1.30 -0.10 0.00 0.12 0.00 0.00 56.93 58.90 1umd s PHE 295 Cb -0.20 -2.94 -0.01 0.00 -0.57 0.00 0.00 43.02 39.30 1umd s PHE 295 CO 0.46 -1.30 2.66 -0.25 -0.10 0.00 0.00 175.22 176.70 1umd n ASP 296 N -3.15 7.62 -4.07 1.36 8.00 -1.26 -4.42 116.55 120.64 1umd n ASP 296 Ca 0.07 -2.77 -0.09 0.00 0.71 0.00 0.00 54.79 52.71 1umd n ASP 296 Cb 0.55 -1.53 -0.09 0.00 -0.02 0.00 0.00 41.12 40.03 1umd n ASP 296 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1umd s THR 297 N 1.52 0.10 0.82 -3.53 -4.23 -1.26 -5.08 115.64 103.99 1umd s THR 297 Ca 0.61 -1.69 -0.11 0.00 -1.18 0.00 0.00 61.69 59.33 1umd s THR 297 Cb 0.17 -1.90 0.08 0.00 1.34 0.00 0.00 72.50 72.20 1umd s THR 297 CO -0.07 -0.46 1.10 -2.84 -0.54 0.00 0.00 174.62 171.82 1umd s PRO 298 N -4.00 1.86 -0.16 3.99 0.02 -1.26 -4.87 135.00 130.58 1umd s PRO 298 Ca 0.19 1.22 -0.29 0.00 0.02 0.00 0.00 61.00 62.14 1umd s PRO 298 Cb 0.06 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.70 1umd s PRO 298 CO -0.00 -1.93 1.59 -0.47 -0.33 0.00 0.00 177.00 175.86 1umd s TYR 299 N -2.85 2.14 0.36 6.54 6.14 -1.26 -4.97 117.35 123.44 1umd s TYR 299 Ca 0.63 0.48 -0.25 0.00 0.64 0.00 0.00 57.07 58.57 1umd s TYR 299 Cb -0.19 -3.91 -0.10 0.00 0.42 0.00 0.00 41.96 38.19 1umd s TYR 299 CO 0.57 -3.11 1.00 -1.25 0.64 0.00 0.00 175.55 173.40 1umd s PRO 300 N 4.35 4.38 -0.09 4.97 0.04 -1.26 -2.15 135.00 145.24 1umd s PRO 300 Ca 0.70 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 63.15 1umd s PRO 300 Cb -0.27 -2.68 -0.01 0.00 0.04 0.00 0.00 34.50 31.58 1umd s PRO 300 CO 0.28 0.07 -0.04 -0.92 0.04 0.00 0.00 177.00 176.43 1umd h TYR 301 N 2.85 0.00 -0.72 0.56 3.20 -1.93 -3.19 116.97 117.74 1umd h TYR 301 Ca -0.48 0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.51 1umd h TYR 301 Cb 1.20 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 39.39 1umd h TYR 301 CO 0.60 0.00 0.32 0.00 -1.64 0.00 0.00 178.16 177.43 1umd h ALA 302 N -1.15 0.99 -0.74 1.82 0.00 -1.99 -2.02 119.26 116.18 1umd h ALA 302 Ca 0.00 0.08 -0.32 0.00 0.00 0.00 0.00 54.91 54.68 1umd h ALA 302 Cb 0.11 0.03 -0.19 0.00 0.00 0.00 0.00 17.79 17.74 1umd h ALA 302 CO 0.00 -0.14 0.40 1.04 0.00 0.00 0.00 179.25 180.56 1umd n GLN 303 N -4.94 2.66 -0.22 0.00 3.00 -1.26 -4.68 117.38 111.93 1umd n GLN 303 Ca 0.12 -2.56 -0.02 0.00 -0.01 0.00 0.00 57.00 54.53 1umd n GLN 303 Cb 0.34 -2.03 0.04 0.00 0.00 0.00 0.00 30.24 28.59 1umd n GLN 303 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1umd h ASP 304 N 1.52 -0.87 0.57 1.08 1.82 -1.34 0.62 116.42 119.82 1umd h ASP 304 Ca 0.39 0.21 0.00 0.00 -0.39 0.00 0.00 57.03 57.24 1umd h ASP 304 Cb 2.35 0.49 0.00 0.00 0.68 0.00 0.00 39.33 42.85 1umd h ASP 304 CO 0.79 -0.26 0.00 0.29 -1.61 0.00 0.00 179.24 178.45 1umd n LYS 305 N -5.45 0.10 -0.02 0.28 4.76 -1.26 -2.28 118.16 114.29 1umd n LYS 305 Ca 0.07 0.36 -0.01 0.00 -2.87 0.00 0.00 58.31 55.85 1umd n LYS 305 Cb 0.35 -1.69 -0.12 0.00 -1.84 0.00 0.00 35.03 31.73 1umd n LYS 305 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1umd n LEU 306 N -1.88 0.45 -0.04 -0.35 4.77 0.10 -4.36 117.00 115.69 1umd n LEU 306 Ca 0.03 0.20 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 1umd n LEU 306 Cb 0.19 0.19 -0.11 0.00 -2.33 0.00 0.00 43.42 41.35 1umd n LEU 306 CO 0.16 0.23 0.47 0.22 -1.33 0.00 0.00 177.39 177.14 1umd h TYR 307 N 0.00 0.09 -2.72 -1.77 5.03 -0.81 -3.44 116.97 113.35 1umd h TYR 307 Ca -0.25 -0.04 -0.53 0.00 2.58 0.00 0.00 58.73 60.49 1umd h TYR 307 Cb 1.69 -0.01 0.04 0.00 1.55 0.00 0.00 36.73 40.00 1umd h TYR 307 CO 0.00 0.82 0.97 -1.17 -1.32 0.00 0.00 178.16 177.46 1umd s LEU 308 N -8.63 4.37 0.04 2.82 2.96 -0.97 -4.57 118.68 114.70 1umd s LEU 308 Ca -0.17 2.66 -0.37 0.00 -0.22 0.00 0.00 54.13 56.03 1umd s LEU 308 Cb -0.00 -3.58 -0.16 0.00 0.50 0.00 0.00 46.19 42.94 1umd s LEU 308 CO 0.70 -0.89 1.46 -2.65 -1.32 0.00 0.00 176.35 173.65 1umd n PRO 309 N 4.61 1.36 -3.28 0.98 -0.02 -1.26 -4.92 135.00 132.47 1umd n PRO 309 Ca 0.15 0.49 -0.22 0.00 -2.02 0.00 0.00 63.50 61.91 1umd n PRO 309 Cb 0.38 -2.17 -0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1umd n PRO 309 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1umd s THR 310 N 1.13 4.39 0.30 3.45 -4.23 -1.26 -4.91 115.64 114.52 1umd s THR 310 Ca 0.86 -0.65 -0.01 0.00 -1.18 0.00 0.00 61.69 60.71 1umd s THR 310 Cb -0.91 -3.59 0.27 0.00 1.34 0.00 0.00 72.50 69.61 1umd s THR 310 CO 0.48 -0.35 1.96 0.58 -0.54 0.00 0.00 174.62 176.76 1umd h VAL 311 N 0.67 1.18 -0.13 2.29 2.07 -1.93 -1.73 116.25 118.66 1umd h VAL 311 Ca -0.47 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1umd h VAL 311 Cb 1.24 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1umd h VAL 311 CO 0.57 0.20 0.08 0.74 0.02 0.00 0.00 177.57 179.18 1umd h THR 312 N 1.08 1.06 -0.98 2.57 2.02 -1.95 0.32 112.91 117.03 1umd h THR 312 Ca 0.31 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.36 1umd h THR 312 Cb -0.06 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 1umd h THR 312 CO -0.08 0.05 0.63 -0.09 0.37 0.00 0.00 175.52 176.41 1umd h ARG 313 N 0.15 1.30 -0.45 6.66 2.43 -1.82 0.54 114.38 123.19 1umd h ARG 313 Ca 0.05 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 1umd h ARG 313 Cb 0.02 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.27 1umd h ARG 313 CO -0.01 0.87 -0.23 0.82 -1.51 0.00 0.00 179.97 179.91 1umd h ILE 314 N 1.33 1.27 -0.34 1.20 2.04 -1.06 -2.58 117.51 119.38 1umd h ILE 314 Ca 0.36 -1.39 -0.09 0.00 1.00 0.00 0.00 64.86 64.74 1umd h ILE 314 Cb -0.13 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1umd h ILE 314 CO -0.07 0.48 -0.16 -0.07 0.00 0.00 0.00 178.15 178.32 1umd h LEU 315 N 0.80 0.60 -0.92 1.44 3.38 -0.31 -0.70 115.31 119.60 1umd h LEU 315 Ca 0.10 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1umd h LEU 315 Cb 0.81 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1umd h LEU 315 CO 0.07 0.78 -0.04 0.78 0.09 0.00 0.00 178.44 180.12 1umd h ASN 316 N 0.55 0.72 -0.34 -0.43 2.35 -0.78 -0.70 115.58 116.96 1umd h ASN 316 Ca 0.09 -0.18 -0.14 0.00 -0.55 0.00 0.00 56.30 55.51 1umd h ASN 316 Cb 0.59 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 1umd h ASN 316 CO 0.04 0.82 -0.35 0.00 -1.65 0.00 0.00 177.43 176.28 1umd h ALA 317 N 1.26 0.50 -0.91 -0.83 0.00 -1.08 -2.16 119.26 116.04 1umd h ALA 317 Ca 0.13 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1umd h ALA 317 Cb 0.49 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1umd h ALA 317 CO 0.02 0.57 0.51 0.00 0.00 0.00 0.00 179.25 180.36 1umd h ALA 318 N 0.74 1.17 -0.63 0.00 0.00 -0.81 -1.69 119.26 118.03 1umd h ALA 318 Ca 0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1umd h ALA 318 Cb 0.94 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1umd h ALA 318 CO 0.09 0.67 0.23 -0.22 0.00 0.00 0.00 179.25 180.02 1umd h LYS 319 N 1.28 0.96 -0.61 0.00 3.64 -0.97 0.52 116.57 121.39 1umd h LYS 319 Ca 0.32 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1umd h LYS 319 Cb 0.02 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1umd h LYS 319 CO -0.05 0.83 0.34 0.00 -2.27 0.00 0.00 179.45 178.29 1umd h ARG 320 N 0.90 0.85 -0.53 1.90 3.08 -0.91 0.21 114.38 119.89 1umd h ARG 320 Ca 0.21 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1umd h ARG 320 Cb 0.24 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1umd h ARG 320 CO -0.01 0.64 -0.03 0.00 -1.07 0.00 0.00 179.97 179.50 1umd h ALA 321 N 1.16 0.71 -0.15 0.04 0.00 -1.00 -2.08 119.26 117.94 1umd h ALA 321 Ca 0.22 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1umd h ALA 321 Cb 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1umd h ALA 321 CO -0.03 0.56 -0.62 -0.07 0.00 0.00 0.00 179.25 179.08 1umd h LEU 322 N 0.82 0.59 -0.09 0.00 3.38 -0.58 -3.22 115.31 116.21 1umd h LEU 322 Ca 0.15 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1umd h LEU 322 Cb 0.58 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1umd h LEU 322 CO 0.03 1.07 -0.22 0.47 0.09 0.00 0.00 178.44 179.88 1umd n ASP 323 N -3.92 0.36 0.00 -0.43 8.00 0.71 -5.08 116.55 116.19 1umd n ASP 323 Ca -0.04 -0.14 0.02 0.00 0.71 0.00 0.00 54.79 55.34 1umd n ASP 323 Cb 0.65 -0.09 0.10 0.00 -0.02 0.00 0.00 41.12 41.76 1umd n ASP 323 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81