#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cmc s VAL 1 N 0.00 3.68 -0.00 0.00 0.11 -0.60 -4.72 120.40 118.87 3cmc s VAL 1 Ca 0.00 1.30 -0.30 0.00 -2.93 0.00 0.00 61.98 60.05 3cmc s VAL 1 Cb 0.00 -3.83 -0.03 0.00 -1.53 0.00 0.00 36.38 30.99 3cmc s VAL 1 CO 0.00 0.15 0.98 -0.54 -3.33 0.00 0.00 175.10 172.37 3cmc s LYS 2 N 0.44 4.56 0.07 1.54 1.02 -1.26 -0.38 119.74 125.74 3cmc s LYS 2 Ca 0.57 1.42 0.09 0.00 0.02 0.00 0.00 55.97 58.07 3cmc s LYS 2 Cb -0.32 -3.46 -0.03 0.00 -0.52 0.00 0.00 37.83 33.49 3cmc s LYS 2 CO 0.33 -0.06 -0.21 0.08 -0.92 0.00 0.00 175.35 174.57 3cmc s VAL 3 N 1.03 2.58 -0.00 3.17 1.01 0.96 -1.65 120.40 127.50 3cmc s VAL 3 Ca 0.52 -1.38 0.08 0.00 0.00 0.00 0.00 61.98 61.20 3cmc s VAL 3 Cb -0.21 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 3cmc s VAL 3 CO 0.28 0.26 -0.25 -0.83 0.00 0.00 0.00 175.10 174.55 3cmc s GLY 4 N -1.64 1.27 -0.22 4.51 0.00 -0.24 -0.89 107.32 110.09 3cmc s GLY 4 Ca 0.15 -1.12 -0.03 0.00 0.00 0.00 0.00 44.72 43.71 3cmc s GLY 4 CO 0.06 -0.96 -0.06 -0.42 0.00 0.00 0.00 173.10 171.71 3cmc s ILE 5 N -0.64 3.11 -0.43 0.90 1.01 -0.55 -0.85 121.20 123.75 3cmc s ILE 5 Ca 0.10 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 59.94 3cmc s ILE 5 Cb -0.10 -2.44 0.04 0.00 0.01 0.00 0.00 42.46 39.97 3cmc s ILE 5 CO -0.00 0.38 0.32 0.21 0.00 0.00 0.00 174.94 175.85 3cmc s ASN 6 N 1.42 6.05 0.00 3.58 2.47 0.52 -0.31 114.94 128.67 3cmc s ASN 6 Ca 0.05 -1.10 0.00 0.00 0.42 0.00 0.00 52.86 52.23 3cmc s ASN 6 Cb -0.15 -2.14 0.00 0.00 -1.45 0.00 0.00 41.25 37.51 3cmc s ASN 6 CO -0.05 -0.52 0.00 0.61 -3.72 0.00 0.00 177.10 173.43 3cmc n GLY 7 N 5.14 0.17 2.53 1.21 0.00 0.07 0.20 105.19 114.52 3cmc n GLY 7 Ca -0.12 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 3cmc n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3cmc n PHE 8 N 0.00 2.64 -0.02 1.61 7.35 -1.18 -3.73 117.46 124.13 3cmc n PHE 8 Ca 0.00 -2.78 0.00 0.00 -0.76 0.00 0.00 57.45 53.91 3cmc n PHE 8 Cb 0.00 -1.73 0.00 0.00 0.35 0.00 0.00 39.48 38.10 3cmc n PHE 8 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3cmc n GLY 9 N 1.50 3.38 0.17 7.13 0.00 -1.26 -4.40 105.19 111.70 3cmc n GLY 9 Ca 0.58 -1.69 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 3cmc n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3cmc h ARG 10 N 0.00 0.48 0.07 1.61 2.47 -1.92 0.18 114.38 117.27 3cmc h ARG 10 Ca 0.00 -0.03 -0.16 0.00 -1.26 0.00 0.00 59.98 58.53 3cmc h ARG 10 Cb 0.00 -0.11 0.02 0.00 -1.65 0.00 0.00 29.97 28.23 3cmc h ARG 10 CO 0.00 0.32 -0.68 0.82 0.56 0.00 0.00 179.97 180.99 3cmc h ILE 11 N 0.49 1.48 -0.32 2.04 1.08 -1.90 -2.88 117.51 117.51 3cmc h ILE 11 Ca 0.15 -2.30 0.05 0.00 -0.39 0.00 0.00 64.86 62.37 3cmc h ILE 11 Cb -0.02 2.91 -0.04 0.00 -3.07 0.00 0.00 36.82 36.59 3cmc h ILE 11 CO -0.05 0.66 0.04 1.23 -0.69 0.00 0.00 178.15 179.33 3cmc h GLY 12 N -0.27 0.35 1.56 5.37 0.00 -1.62 0.19 103.07 108.65 3cmc h GLY 12 Ca -0.10 -0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 3cmc h GLY 12 CO 0.13 -0.04 -0.39 3.21 0.00 0.00 0.00 176.54 179.45 3cmc h ARG 13 N 0.15 0.49 -0.35 4.80 3.08 -0.75 -1.26 114.38 120.53 3cmc h ARG 13 Ca 0.15 -0.24 -0.13 0.00 0.07 0.00 0.00 59.98 59.84 3cmc h ARG 13 Cb 0.18 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3cmc h ARG 13 CO -0.22 0.80 -0.28 -0.97 -1.07 0.00 0.00 179.97 178.24 3cmc h ASN 14 N 0.41 0.86 -0.48 7.04 -0.00 -1.21 -0.39 115.58 121.80 3cmc h ASN 14 Ca 0.04 -0.45 0.04 0.00 -0.00 0.00 0.00 56.30 55.93 3cmc h ASN 14 Cb 0.86 -0.24 -0.04 0.00 -0.00 0.00 0.00 38.32 38.90 3cmc h ASN 14 CO 0.07 1.12 0.26 0.58 -0.00 0.00 0.00 177.43 179.46 3cmc h VAL 15 N 0.60 0.99 -0.55 2.57 2.07 -0.60 0.10 116.25 121.43 3cmc h VAL 15 Ca 0.07 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.45 3cmc h VAL 15 Cb 0.85 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3cmc h VAL 15 CO 0.07 0.09 0.29 0.15 0.02 0.00 0.00 177.57 178.20 3cmc h PHE 16 N 0.51 0.54 -0.71 1.57 3.04 -0.79 0.17 116.94 121.28 3cmc h PHE 16 Ca 0.21 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.12 3cmc h PHE 16 Cb 0.09 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.40 3cmc h PHE 16 CO -0.09 0.27 0.22 0.00 -2.02 0.00 0.00 178.31 176.69 3cmc h ARG 17 N 0.57 1.11 -0.52 1.11 3.08 -0.27 -2.26 114.38 117.19 3cmc h ARG 17 Ca 0.24 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3cmc h ARG 17 Cb 0.12 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3cmc h ARG 17 CO -0.15 0.95 -0.00 0.00 -1.07 0.00 0.00 179.97 179.70 3cmc h ALA 18 N 1.10 1.01 -0.09 0.04 0.00 -0.13 -2.69 119.26 118.50 3cmc h ALA 18 Ca 0.23 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3cmc h ALA 18 Cb 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3cmc h ALA 18 CO -0.01 0.61 -0.10 0.00 0.00 0.00 0.00 179.25 179.76 3cmc h ALA 19 N 1.17 1.67 -0.03 0.00 0.00 -0.13 -1.35 119.26 120.59 3cmc h ALA 19 Ca 0.15 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3cmc h ALA 19 Cb 0.50 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3cmc h ALA 19 CO 0.02 0.25 0.06 -0.07 0.00 0.00 0.00 179.25 179.51 3cmc h LEU 20 N 0.13 0.00 -2.74 0.00 3.38 -1.08 -1.23 115.31 113.77 3cmc h LEU 20 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3cmc h LEU 20 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3cmc h LEU 20 CO 0.01 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.83 3cmc n LYS 21 N -3.42 2.73 -4.86 1.13 5.02 -0.51 -4.91 118.16 113.34 3cmc n LYS 21 Ca -0.02 -2.57 -0.33 0.00 -2.02 0.00 0.00 58.31 53.38 3cmc n LYS 21 Cb 0.14 -1.53 -0.16 0.00 -0.02 0.00 0.00 35.03 33.46 3cmc n LYS 21 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3cmc s ASN 22 N -1.03 3.50 0.19 4.39 3.84 -0.47 -5.00 114.94 120.37 3cmc s ASN 22 Ca 0.45 -0.47 0.25 0.00 0.21 0.00 0.00 52.86 53.30 3cmc s ASN 22 Cb 0.24 -1.51 0.52 0.00 -0.55 0.00 0.00 41.25 39.94 3cmc s ASN 22 CO 0.31 0.13 1.52 1.55 -2.79 0.00 0.00 177.10 177.82 3cmc h PRO 23 N 6.92 0.00 0.00 0.43 0.13 -1.91 -3.35 132.00 134.23 3cmc h PRO 23 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3cmc h PRO 23 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3cmc h PRO 23 CO 0.53 0.00 -0.47 -0.44 -0.23 0.00 0.00 178.00 177.39 3cmc h ASP 24 N 0.00 0.00 -4.48 1.44 3.32 -1.94 -3.16 116.42 111.60 3cmc h ASP 24 Ca 0.00 -0.13 -0.31 0.00 0.02 0.00 0.00 57.03 56.60 3cmc h ASP 24 Cb 0.78 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.15 3cmc h ASP 24 CO 0.00 0.07 -0.73 0.27 -1.72 0.00 0.00 179.24 177.12 3cmc s ILE 25 N -3.17 0.86 -0.07 0.35 -4.36 -1.26 -1.56 121.20 112.01 3cmc s ILE 25 Ca 0.07 -1.53 -0.00 0.00 -0.26 0.00 0.00 60.65 58.93 3cmc s ILE 25 Cb 0.12 -1.22 0.03 0.00 1.25 0.00 0.00 42.46 42.64 3cmc s ILE 25 CO 0.69 -0.52 -0.02 -0.70 0.24 0.00 0.00 174.94 174.63 3cmc s GLU 26 N -2.55 0.79 -0.24 0.37 2.56 0.49 -4.29 118.70 115.84 3cmc s GLU 26 Ca 0.02 -0.01 -0.26 0.00 0.00 0.00 0.00 54.97 54.72 3cmc s GLU 26 Cb -0.04 -0.99 -0.00 0.00 2.00 0.00 0.00 34.13 35.10 3cmc s GLU 26 CO -0.00 -0.21 0.88 0.08 -0.56 0.00 0.00 175.26 175.44 3cmc s VAL 27 N 1.53 4.80 -0.47 3.70 1.01 -1.26 -0.03 120.40 129.68 3cmc s VAL 27 Ca -0.01 1.68 0.10 0.00 0.00 0.00 0.00 61.98 63.75 3cmc s VAL 27 Cb -0.13 -4.16 -0.11 0.00 0.00 0.00 0.00 36.38 31.97 3cmc s VAL 27 CO -0.03 -0.10 0.43 1.33 0.00 0.00 0.00 175.10 176.73 3cmc n VAL 28 N 5.26 0.00 -3.59 2.92 0.24 -0.07 -4.90 118.33 118.20 3cmc n VAL 28 Ca 0.07 -0.26 -0.15 0.00 -2.04 0.00 0.00 64.34 61.96 3cmc n VAL 28 Cb 0.47 0.98 -0.06 0.00 -1.47 0.00 0.00 33.84 33.76 3cmc n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cmc s ALA 29 N -1.99 -1.39 0.04 2.33 0.00 -1.23 -1.35 121.76 118.16 3cmc s ALA 29 Ca 0.04 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.81 3cmc s ALA 29 Cb 0.08 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 3cmc s ALA 29 CO 0.42 -0.42 -0.07 0.14 0.00 0.00 0.00 175.76 175.83 3cmc s VAL 30 N -1.85 0.46 0.02 0.00 -7.23 0.38 -1.48 120.40 110.70 3cmc s VAL 30 Ca -0.09 -1.06 0.05 0.00 -1.81 0.00 0.00 61.98 59.07 3cmc s VAL 30 Cb -0.01 -0.56 -0.02 0.00 0.56 0.00 0.00 36.38 36.35 3cmc s VAL 30 CO 0.03 -0.41 -0.15 0.21 -0.31 0.00 0.00 175.10 174.47 3cmc s ASN 31 N -1.58 1.74 0.00 4.85 2.47 0.58 -0.55 114.94 122.44 3cmc s ASN 31 Ca -0.11 -0.38 0.00 0.00 0.42 0.00 0.00 52.86 52.80 3cmc s ASN 31 Cb -0.10 -0.15 0.00 0.00 -1.45 0.00 0.00 41.25 39.55 3cmc s ASN 31 CO 0.00 0.11 0.00 -0.67 -3.72 0.00 0.00 177.10 172.82 3cmc n ASP 32 N 2.25 0.00 -0.56 -4.21 2.03 -0.96 -0.75 116.55 114.35 3cmc n ASP 32 Ca -0.16 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.21 3cmc n ASP 32 Cb 0.55 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 41.13 3cmc n ASP 32 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3cmc n LEU 33 N 0.00 2.46 0.00 -2.67 4.77 -1.26 -3.63 117.00 116.67 3cmc n LEU 33 Ca 0.00 -3.55 0.00 0.00 -0.03 0.00 0.00 56.01 52.43 3cmc n LEU 33 Cb 0.00 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 3cmc n LEU 33 CO 0.00 1.18 0.00 1.07 -1.33 0.00 0.00 177.39 178.31 3cmc n THR 34 N -1.04 0.00 -3.42 -5.08 5.66 -1.26 -5.09 114.28 104.04 3cmc n THR 34 Ca 0.17 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.98 3cmc n THR 34 Cb 0.71 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.49 3cmc n THR 34 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3cmc s ASP 36 N -0.47 5.93 0.24 1.09 1.47 -1.26 -4.71 116.67 118.96 3cmc s ASP 36 Ca 0.00 -0.22 -0.05 0.00 1.18 0.00 0.00 52.55 53.46 3cmc s ASP 36 Cb 0.00 -1.17 0.36 0.00 -0.34 0.00 0.00 42.92 41.77 3cmc s ASP 36 CO 0.00 -0.47 1.84 0.00 0.68 0.00 0.00 175.17 177.22 3cmc h ALA 37 N 0.87 1.18 -0.68 2.11 0.00 -1.90 -1.97 119.26 118.87 3cmc h ALA 37 Ca -0.45 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.54 3cmc h ALA 37 Cb 1.26 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3cmc h ALA 37 CO 0.52 0.21 0.36 -0.91 0.00 0.00 0.00 179.25 179.43 3cmc h ASN 38 N 0.91 0.50 -0.22 0.00 2.35 -1.93 0.23 115.58 117.42 3cmc h ASN 38 Ca 0.38 0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 56.10 3cmc h ASN 38 Cb 0.24 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 3cmc h ASN 38 CO -0.20 0.31 -0.18 0.74 -1.65 0.00 0.00 177.43 176.45 3cmc h THR 39 N 0.64 1.32 -0.71 2.81 2.02 -1.83 -1.74 112.91 115.42 3cmc h THR 39 Ca 0.32 -1.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.13 3cmc h THR 39 Cb 0.27 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 3cmc h THR 39 CO -0.22 0.40 0.21 -0.07 0.37 0.00 0.00 175.52 176.21 3cmc h LEU 40 N 0.19 1.03 -0.70 2.58 3.38 -1.08 -1.11 115.31 119.60 3cmc h LEU 40 Ca 0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3cmc h LEU 40 Cb 0.71 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3cmc h LEU 40 CO 0.05 0.96 0.34 0.00 0.09 0.00 0.00 178.44 179.87 3cmc h ALA 41 N 1.17 0.90 -0.38 1.53 0.00 -0.48 0.10 119.26 122.10 3cmc h ALA 41 Ca 0.23 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3cmc h ALA 41 Cb 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3cmc h ALA 41 CO -0.01 0.46 0.04 1.25 0.00 0.00 0.00 179.25 180.99 3cmc h HIS 42 N 0.97 0.69 -0.48 0.00 -0.00 -0.95 0.27 115.15 115.65 3cmc h HIS 42 Ca 0.24 -0.11 -0.07 0.00 -0.00 0.00 0.00 60.37 60.43 3cmc h HIS 42 Cb 0.12 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 3cmc h HIS 42 CO 0.01 0.70 0.02 -0.07 -0.00 0.00 0.00 177.93 178.59 3cmc h LEU 43 N 0.47 0.74 -0.61 0.26 3.38 -1.01 -1.95 115.31 116.60 3cmc h LEU 43 Ca 0.11 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 3cmc h LEU 43 Cb 0.41 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3cmc h LEU 43 CO 0.01 0.80 -0.55 0.25 0.09 0.00 0.00 178.44 179.04 3cmc h LEU 44 N 0.73 0.45 -0.22 1.67 5.85 -0.64 -3.29 115.31 119.87 3cmc h LEU 44 Ca 0.15 -0.24 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 3cmc h LEU 44 Cb 0.42 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3cmc h LEU 44 CO 0.02 0.91 -0.30 0.11 -0.34 0.00 0.00 178.44 178.84 3cmc h LYS 45 N 0.31 0.58 -4.67 1.25 1.79 -0.64 -3.38 116.57 111.82 3cmc h LYS 45 Ca 0.00 -0.34 -0.63 0.00 -2.18 0.00 0.00 60.65 57.50 3cmc h LYS 45 Cb 1.06 0.03 -0.37 0.00 -1.58 0.00 0.00 32.23 31.37 3cmc h LYS 45 CO 0.10 0.94 -0.81 0.71 -1.08 0.00 0.00 179.45 179.31 3cmc s TYR 46 N -4.20 2.63 -0.14 -1.35 2.02 -0.76 -0.90 117.35 114.65 3cmc s TYR 46 Ca -0.13 -1.76 0.01 0.00 -0.37 0.00 0.00 57.07 54.82 3cmc s TYR 46 Cb 0.07 -1.72 -0.01 0.00 -0.40 0.00 0.00 41.96 39.90 3cmc s TYR 46 CO 0.81 -0.78 -0.16 0.34 -1.57 0.00 0.00 175.55 174.19 3cmc s ASP 47 N 1.32 3.73 0.53 2.29 -1.08 -0.86 -4.67 116.67 117.93 3cmc s ASP 47 Ca -0.02 -0.42 0.27 0.00 -0.52 0.00 0.00 52.55 51.86 3cmc s ASP 47 Cb -0.17 -1.56 1.48 0.00 -1.46 0.00 0.00 42.92 41.21 3cmc s ASP 47 CO -0.08 0.13 2.09 0.28 0.52 0.00 0.00 175.17 178.11 3cmc h SER 48 N 6.97 0.00 0.00 -0.34 0.02 -1.94 -0.81 113.55 117.45 3cmc h SER 48 Ca -0.28 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.22 3cmc h SER 48 Cb 1.21 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.68 3cmc h SER 48 CO 0.55 0.11 -2.53 0.52 -1.14 0.00 0.00 176.83 174.34 3cmc n VAL 49 N -3.67 1.52 0.96 2.27 0.31 -1.26 -4.70 118.33 113.76 3cmc n VAL 49 Ca -0.02 -0.42 0.12 0.00 -0.01 0.00 0.00 64.34 64.01 3cmc n VAL 49 Cb 0.22 -1.80 0.17 0.00 -0.91 0.00 0.00 33.84 31.52 3cmc n VAL 49 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3cmc n HIS 50 N -4.07 0.08 -3.50 3.52 8.25 -1.23 -5.00 115.22 113.26 3cmc n HIS 50 Ca -0.53 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 3cmc n HIS 50 Cb 0.91 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.02 3cmc n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cmc n GLY 51 N 1.35 -1.95 3.76 -1.41 0.00 -0.31 -4.87 105.19 101.76 3cmc n GLY 51 Ca 0.15 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 3cmc n GLY 51 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cmc s ARG 52 N 0.00 4.55 0.01 1.61 6.06 -1.26 -2.03 118.95 127.89 3cmc s ARG 52 Ca 0.00 1.82 -0.30 0.00 -2.50 0.00 0.00 55.73 54.74 3cmc s ARG 52 Cb 0.00 -3.10 -0.06 0.00 0.06 0.00 0.00 34.95 31.85 3cmc s ARG 52 CO 0.00 0.12 1.43 -1.17 -2.50 0.00 0.00 175.30 173.18 3cmc s LEU 53 N -1.63 4.32 -1.29 -0.88 2.96 -0.08 -4.92 118.68 117.17 3cmc s LEU 53 Ca 0.47 2.17 -0.13 0.00 -0.22 0.00 0.00 54.13 56.41 3cmc s LEU 53 Cb -0.32 -3.56 0.13 0.00 0.50 0.00 0.00 46.19 42.94 3cmc s LEU 53 CO 0.41 -0.73 1.78 0.47 -1.32 0.00 0.00 176.35 176.95 3cmc n ASP 54 N 5.31 4.91 -3.54 3.68 8.00 -1.26 -4.80 116.55 128.84 3cmc n ASP 54 Ca 0.13 -2.99 -0.07 0.00 0.71 0.00 0.00 54.79 52.57 3cmc n ASP 54 Cb 0.43 -1.58 -0.02 0.00 -0.02 0.00 0.00 41.12 39.93 3cmc n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cmc s ALA 55 N 1.82 -1.91 -0.27 2.24 0.00 -1.26 -5.12 121.76 117.25 3cmc s ALA 55 Ca 0.44 1.20 -0.24 0.00 0.00 0.00 0.00 51.96 53.36 3cmc s ALA 55 Cb 0.06 0.23 -0.00 0.00 0.00 0.00 0.00 23.12 23.41 3cmc s ALA 55 CO 0.00 -0.66 0.82 -2.00 0.00 0.00 0.00 175.76 173.92 3cmc s GLU 56 N -2.87 4.08 -0.05 0.00 2.12 -1.26 -4.95 118.70 115.77 3cmc s GLU 56 Ca 0.07 0.79 0.06 0.00 0.36 0.00 0.00 54.97 56.24 3cmc s GLU 56 Cb -0.01 -3.69 -0.01 0.00 0.26 0.00 0.00 34.13 30.69 3cmc s GLU 56 CO -0.07 -0.60 -0.23 0.08 -0.54 0.00 0.00 175.26 173.89 3cmc s VAL 57 N 2.93 1.91 0.33 3.70 1.01 -1.26 -0.65 120.40 128.37 3cmc s VAL 57 Ca 0.34 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 3cmc s VAL 57 Cb -0.15 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.62 3cmc s VAL 57 CO 0.10 0.53 0.52 -0.94 0.00 0.00 0.00 175.10 175.31 3cmc s SER 58 N -0.15 0.60 -0.05 3.32 1.04 -0.14 -4.98 113.70 113.33 3cmc s SER 58 Ca -0.03 -1.34 0.06 0.00 0.48 0.00 0.00 55.95 55.13 3cmc s SER 58 Cb -0.13 0.68 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 3cmc s SER 58 CO 0.03 -1.33 -0.24 -0.69 0.98 0.00 0.00 173.24 171.99 3cmc s VAL 59 N -3.11 1.97 -0.27 5.02 1.01 -1.26 -0.31 120.40 123.44 3cmc s VAL 59 Ca 0.27 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 3cmc s VAL 59 Cb -0.01 -1.66 0.08 0.00 0.00 0.00 0.00 36.38 34.80 3cmc s VAL 59 CO 0.17 0.55 0.05 0.21 0.00 0.00 0.00 175.10 176.08 3cmc s ASN 60 N -0.26 3.81 1.58 3.32 2.47 -0.40 -4.94 114.94 120.53 3cmc s ASN 60 Ca 0.00 -1.41 0.00 0.00 0.42 0.00 0.00 52.86 51.87 3cmc s ASN 60 Cb -0.12 -0.93 0.00 0.00 -1.45 0.00 0.00 41.25 38.74 3cmc s ASN 60 CO 0.02 -0.35 0.00 0.61 -3.72 0.00 0.00 177.10 173.66 3cmc n GLY 61 N 4.81 3.17 1.71 1.21 0.00 -1.26 -1.67 105.19 113.16 3cmc n GLY 61 Ca -0.05 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 3cmc n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cmc n ASN 62 N 8.16 3.75 -4.32 1.61 5.03 -1.26 -4.90 115.26 123.33 3cmc n ASN 62 Ca 0.00 -3.47 -0.18 0.00 0.87 0.00 0.00 54.58 51.80 3cmc n ASN 62 Cb 0.00 -0.72 -0.10 0.00 -1.02 0.00 0.00 39.78 37.94 3cmc n ASN 62 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3cmc s ASN 63 N -1.64 2.39 0.25 6.41 0.01 -0.67 -3.08 114.94 118.61 3cmc s ASN 63 Ca 0.51 -1.00 -0.09 0.00 -0.71 0.00 0.00 52.86 51.58 3cmc s ASN 63 Cb 0.43 -0.11 -0.07 0.00 0.41 0.00 0.00 41.25 41.92 3cmc s ASN 63 CO 0.08 -0.19 0.56 -0.76 -1.51 0.00 0.00 177.10 175.28 3cmc s LEU 64 N -3.20 4.12 -0.18 0.60 1.43 0.03 -1.27 118.68 120.21 3cmc s LEU 64 Ca 0.20 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 3cmc s LEU 64 Cb -0.01 -3.66 0.04 0.00 0.03 0.00 0.00 46.19 42.59 3cmc s LEU 64 CO 0.05 -0.12 -0.08 -0.69 0.23 0.00 0.00 176.35 175.74 3cmc s VAL 65 N -1.91 1.38 -0.21 -1.59 1.01 0.57 0.63 120.40 120.29 3cmc s VAL 65 Ca 0.47 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3cmc s VAL 65 Cb -0.11 -1.49 0.04 0.00 0.00 0.00 0.00 36.38 34.82 3cmc s VAL 65 CO 0.24 0.17 -0.13 -0.69 0.00 0.00 0.00 175.10 174.69 3cmc s VAL 66 N 1.52 1.89 -1.40 2.92 1.01 -0.05 -0.97 120.40 125.31 3cmc s VAL 66 Ca 0.00 -1.13 -0.06 0.00 0.00 0.00 0.00 61.98 60.79 3cmc s VAL 66 Cb -0.15 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 34.37 3cmc s VAL 66 CO -0.08 0.24 0.82 0.59 0.00 0.00 0.00 175.10 176.67 3cmc n ASN 67 N 4.61 -2.78 0.00 3.32 3.02 0.17 -1.44 115.26 122.16 3cmc n ASN 67 Ca -0.16 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 3cmc n ASN 67 Cb 0.47 -3.99 0.00 0.00 -0.61 0.00 0.00 39.78 35.65 3cmc n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cmc n GLY 68 N -1.65 1.60 3.70 7.41 0.00 -1.26 -4.98 105.19 110.01 3cmc n GLY 68 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 3cmc n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cmc s LYS 69 N -0.11 4.21 0.02 1.61 -0.14 -0.52 -5.05 119.74 119.76 3cmc s LYS 69 Ca 0.00 0.07 -0.30 0.00 -1.36 0.00 0.00 55.97 54.38 3cmc s LYS 69 Cb 0.00 -3.47 -0.04 0.00 -1.68 0.00 0.00 37.83 32.64 3cmc s LYS 69 CO 0.00 0.14 1.01 -2.00 -0.76 0.00 0.00 175.35 173.73 3cmc s GLU 70 N 0.78 4.56 -0.21 1.68 2.12 -1.26 -0.87 118.70 125.50 3cmc s GLU 70 Ca 0.16 1.47 -0.02 0.00 0.36 0.00 0.00 54.97 56.94 3cmc s GLU 70 Cb -0.13 -3.43 0.01 0.00 0.26 0.00 0.00 34.13 30.83 3cmc s GLU 70 CO 0.05 -0.04 -0.09 0.42 -0.54 0.00 0.00 175.26 175.06 3cmc s ILE 71 N 0.87 2.93 0.20 -3.70 -1.09 0.21 -4.90 121.20 115.71 3cmc s ILE 71 Ca 0.52 -0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 57.93 3cmc s ILE 71 Cb -0.22 -2.34 -0.09 0.00 -1.58 0.00 0.00 42.46 38.22 3cmc s ILE 71 CO 0.29 0.41 1.32 -0.63 -1.23 0.00 0.00 174.94 175.10 3cmc s ILE 72 N 1.40 3.19 -0.23 2.92 1.01 -0.46 -0.79 121.20 128.23 3cmc s ILE 72 Ca 0.05 0.97 -0.06 0.00 0.00 0.00 0.00 60.65 61.60 3cmc s ILE 72 Cb -0.14 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 3cmc s ILE 72 CO -0.06 0.14 0.04 -0.69 0.00 0.00 0.00 174.94 174.37 3cmc s VAL 73 N 0.16 4.12 0.27 2.92 1.01 -1.18 -0.47 120.40 127.23 3cmc s VAL 73 Ca 0.57 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.39 3cmc s VAL 73 Cb -0.37 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3cmc s VAL 73 CO 0.38 0.37 0.12 -0.54 0.00 0.00 0.00 175.10 175.44 3cmc s LYS 74 N 1.43 2.61 -0.39 2.72 1.02 0.29 -4.84 119.74 122.59 3cmc s LYS 74 Ca 0.05 -1.26 0.11 0.00 0.02 0.00 0.00 55.97 54.89 3cmc s LYS 74 Cb -0.15 -2.36 0.33 0.00 -0.52 0.00 0.00 37.83 35.13 3cmc s LYS 74 CO 0.02 0.33 0.76 0.00 -0.92 0.00 0.00 175.35 175.54 3cmc n ALA 75 N -1.09 1.64 -3.25 5.17 0.00 -1.26 -2.28 120.51 119.45 3cmc n ALA 75 Ca -0.06 -3.13 -0.37 0.00 0.00 0.00 0.00 53.44 49.88 3cmc n ALA 75 Cb 0.59 -0.95 -0.13 0.00 0.00 0.00 0.00 19.45 18.96 3cmc n ALA 75 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3cmc s GLU 76 N -1.90 2.91 0.36 0.00 0.41 -1.24 -4.91 118.70 114.33 3cmc s GLU 76 Ca 0.37 -0.98 0.09 0.00 -0.41 0.00 0.00 54.97 54.05 3cmc s GLU 76 Cb 0.32 -3.36 0.69 0.00 -1.78 0.00 0.00 34.13 30.00 3cmc s GLU 76 CO -0.08 -0.51 1.85 -0.09 -0.49 0.00 0.00 175.26 175.93 3cmc h ARG 77 N 8.20 0.19 -4.73 1.61 2.43 -1.99 -3.40 114.38 116.70 3cmc h ARG 77 Ca -0.29 -0.06 -0.68 0.00 -0.81 0.00 0.00 59.98 58.15 3cmc h ARG 77 Cb 1.11 -0.02 -0.20 0.00 -0.42 0.00 0.00 29.97 30.44 3cmc h ARG 77 CO 0.60 0.43 -0.50 0.34 -1.51 0.00 0.00 179.97 179.33 3cmc s ASP 78 N -6.89 5.95 0.46 -3.80 -1.08 -1.26 -4.96 116.67 105.08 3cmc s ASP 78 Ca -0.05 -0.44 0.31 0.00 -0.52 0.00 0.00 52.55 51.85 3cmc s ASP 78 Cb 0.15 -2.11 1.66 0.00 -1.46 0.00 0.00 42.92 41.16 3cmc s ASP 78 CO 0.74 -0.22 1.95 1.55 0.52 0.00 0.00 175.17 179.71 3cmc h PRO 79 N 8.46 0.00 0.00 4.34 0.13 -1.94 -1.68 132.00 141.30 3cmc h PRO 79 Ca -0.32 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.79 3cmc h PRO 79 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3cmc h PRO 79 CO 0.63 0.00 -0.14 0.93 -0.23 0.00 0.00 178.00 179.19 3cmc h GLU 80 N 0.00 0.00 -0.47 0.86 5.08 -1.93 -2.13 114.58 115.99 3cmc h GLU 80 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3cmc h GLU 80 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3cmc h GLU 80 CO 0.00 0.14 0.00 0.09 -1.00 0.00 0.00 179.01 178.24 3cmc n ASN 81 N -4.26 2.12 0.22 1.42 5.03 -0.63 -4.46 115.26 114.70 3cmc n ASN 81 Ca -0.02 -2.12 0.11 0.00 0.87 0.00 0.00 54.58 53.42 3cmc n ASN 81 Cb 0.21 -0.32 0.24 0.00 -1.02 0.00 0.00 39.78 38.89 3cmc n ASN 81 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3cmc h LEU 82 N 1.85 0.00 -1.57 3.41 3.38 -1.56 -3.48 115.31 117.34 3cmc h LEU 82 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3cmc h LEU 82 Cb 0.64 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.28 3cmc h LEU 82 CO 0.06 0.08 -0.86 0.00 0.09 0.00 0.00 178.44 177.81 3cmc n ALA 83 N -2.12 -1.70 -0.32 1.53 0.00 -1.25 -4.86 120.51 111.79 3cmc n ALA 83 Ca 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 3cmc n ALA 83 Cb 0.52 -2.35 0.08 0.00 0.00 0.00 0.00 19.45 17.70 3cmc n ALA 83 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3cmc h TRP 84 N -1.73 1.17 -0.69 0.00 -0.00 -1.50 -2.81 115.95 110.40 3cmc h TRP 84 Ca -0.61 -0.02 0.05 0.00 -0.00 0.00 0.00 58.89 58.31 3cmc h TRP 84 Cb 1.38 -0.38 -0.04 0.00 -0.00 0.00 0.00 29.16 30.12 3cmc h TRP 84 CO 0.55 0.80 0.45 0.78 -0.00 0.00 0.00 178.44 181.02 3cmc h GLY 85 N 1.20 0.92 2.00 1.49 0.00 -1.51 -1.43 103.07 105.74 3cmc h GLY 85 Ca 0.31 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3cmc h GLY 85 CO -0.05 0.24 -0.07 0.83 0.00 0.00 0.00 176.54 177.49 3cmc h GLU 86 N 0.76 0.00 -0.40 4.80 5.08 -1.77 -2.12 114.58 120.94 3cmc h GLU 86 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3cmc h GLU 86 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3cmc h GLU 86 CO -0.09 0.07 0.00 0.44 -1.00 0.00 0.00 179.01 178.43 3cmc n ILE 87 N -4.04 1.42 -1.16 3.13 -5.35 -0.91 -4.97 119.36 107.48 3cmc n ILE 87 Ca -0.03 -1.23 -0.06 0.00 -0.27 0.00 0.00 62.75 61.16 3cmc n ILE 87 Cb 0.16 0.27 -0.02 0.00 -1.74 0.00 0.00 39.64 38.30 3cmc n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cmc n GLY 88 N 0.45 0.80 3.66 3.28 0.00 -0.80 -4.98 105.19 107.61 3cmc n GLY 88 Ca 0.17 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 3cmc n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cmc s VAL 89 N -2.13 3.98 -0.18 1.61 1.01 -0.59 -4.60 120.40 119.49 3cmc s VAL 89 Ca 0.00 1.19 0.03 0.00 0.00 0.00 0.00 61.98 63.20 3cmc s VAL 89 Cb 0.00 -3.77 -0.22 0.00 0.00 0.00 0.00 36.38 32.39 3cmc s VAL 89 CO 0.00 -0.10 0.10 0.47 0.00 0.00 0.00 175.10 175.56 3cmc n ASP 90 N 6.77 1.63 -4.22 3.32 8.00 -0.66 -4.22 116.55 127.18 3cmc n ASP 90 Ca 0.15 0.05 -0.32 0.00 0.71 0.00 0.00 54.79 55.38 3cmc n ASP 90 Cb 0.44 -0.32 -0.17 0.00 -0.02 0.00 0.00 41.12 41.05 3cmc n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3cmc s ILE 91 N -2.54 2.16 -0.13 0.53 1.01 -0.99 -0.65 121.20 120.59 3cmc s ILE 91 Ca -0.24 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.42 3cmc s ILE 91 Cb 0.08 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 3cmc s ILE 91 CO 0.71 0.55 -0.08 -0.69 0.00 0.00 0.00 174.94 175.43 3cmc s VAL 92 N 0.53 3.51 -0.30 2.92 1.01 0.07 -1.08 120.40 127.05 3cmc s VAL 92 Ca -0.14 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 3cmc s VAL 92 Cb -0.17 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3cmc s VAL 92 CO 0.05 0.53 0.41 -0.69 0.00 0.00 0.00 175.10 175.40 3cmc s VAL 93 N 0.12 5.13 -0.65 2.92 1.01 -0.03 -0.21 120.40 128.69 3cmc s VAL 93 Ca -0.04 0.42 -0.17 0.00 0.00 0.00 0.00 61.98 62.19 3cmc s VAL 93 Cb -0.14 -3.80 0.14 0.00 0.00 0.00 0.00 36.38 32.58 3cmc s VAL 93 CO 0.04 0.01 0.68 -0.70 0.00 0.00 0.00 175.10 175.12 3cmc s GLU 94 N 2.15 3.19 -0.19 2.72 2.56 0.12 -0.36 118.70 128.89 3cmc s GLU 94 Ca 0.16 -1.75 0.13 0.00 0.00 0.00 0.00 54.97 53.51 3cmc s GLU 94 Cb -0.16 -4.36 0.43 0.00 2.00 0.00 0.00 34.13 32.04 3cmc s GLU 94 CO 0.11 -1.43 1.20 -1.13 -0.56 0.00 0.00 175.26 173.45 3cmc n SER 95 N 5.44 2.10 0.09 -1.70 3.41 0.13 -1.29 113.62 121.80 3cmc n SER 95 Ca -0.03 -3.53 0.01 0.00 -0.26 0.00 0.00 58.87 55.06 3cmc n SER 95 Cb 0.43 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 3cmc n SER 95 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3cmc h THR 96 N 2.26 0.70 0.00 6.66 1.35 -1.71 -3.42 112.91 118.75 3cmc h THR 96 Ca 0.02 -2.11 0.00 0.00 -0.55 0.00 0.00 66.41 63.76 3cmc h THR 96 Cb 1.23 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 3cmc h THR 96 CO 0.14 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 3cmc n GLY 97 N 1.30 1.57 0.01 5.82 0.00 -1.26 -4.88 105.19 107.75 3cmc n GLY 97 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.10 3cmc n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cmc n ARG 98 N -2.00 0.42 -2.52 1.61 5.12 -1.26 -4.64 116.66 113.39 3cmc n ARG 98 Ca 0.00 -0.11 -0.25 0.00 -1.93 0.00 0.00 57.85 55.55 3cmc n ARG 98 Cb 0.00 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 29.77 3cmc n ARG 98 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3cmc n PHE 99 N -2.01 3.23 0.69 -1.55 3.72 -1.26 -4.78 117.46 115.49 3cmc n PHE 99 Ca -0.01 -3.14 0.13 0.00 -0.05 0.00 0.00 57.45 54.38 3cmc n PHE 99 Cb 0.48 -0.13 0.31 0.00 -0.94 0.00 0.00 39.48 39.20 3cmc n PHE 99 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3cmc n THR 100 N -0.42 0.35 -3.02 4.37 -2.24 -1.26 -3.65 114.28 108.40 3cmc n THR 100 Ca 0.36 -0.21 -0.39 0.00 -2.27 0.00 0.00 64.05 61.53 3cmc n THR 100 Cb 0.66 -0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.57 3cmc n THR 100 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3cmc s LYS 101 N -3.11 4.51 0.27 -0.78 1.02 -1.26 -1.83 119.74 118.55 3cmc s LYS 101 Ca 0.09 1.08 -0.01 0.00 0.02 0.00 0.00 55.97 57.15 3cmc s LYS 101 Cb 0.14 -3.28 0.58 0.00 -0.52 0.00 0.00 37.83 34.75 3cmc s LYS 101 CO 0.66 0.52 1.69 -0.09 -0.92 0.00 0.00 175.35 177.20 3cmc h ARG 102 N 4.65 0.31 -0.55 1.68 2.43 -1.37 0.68 114.38 122.21 3cmc h ARG 102 Ca -0.47 -0.02 0.13 0.00 -0.81 0.00 0.00 59.98 58.82 3cmc h ARG 102 Cb 1.21 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 3cmc h ARG 102 CO 0.67 0.20 0.38 1.49 -1.51 0.00 0.00 179.97 181.20 3cmc h GLU 103 N 0.31 0.15 0.05 0.20 4.81 -1.92 0.42 114.58 118.60 3cmc h GLU 103 Ca 0.48 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.47 3cmc h GLU 103 Cb 0.87 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 3cmc h GLU 103 CO -0.53 0.10 -1.23 -0.44 -0.73 0.00 0.00 179.01 176.18 3cmc h ASP 104 N 0.15 0.16 -0.69 1.04 3.32 -1.25 -3.36 116.42 115.79 3cmc h ASP 104 Ca 0.26 -0.72 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 3cmc h ASP 104 Cb 0.83 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 3cmc h ASP 104 CO -0.04 1.51 0.40 0.00 -1.72 0.00 0.00 179.24 179.39 3cmc h ALA 105 N -0.23 1.37 0.00 3.45 0.00 -0.62 -1.51 119.26 121.73 3cmc h ALA 105 Ca -0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3cmc h ALA 105 Cb 1.49 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3cmc h ALA 105 CO -0.07 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.70 3cmc h ALA 106 N 1.46 1.00 0.00 0.00 0.00 -0.35 -1.89 119.26 119.49 3cmc h ALA 106 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3cmc h ALA 106 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3cmc h ALA 106 CO -0.04 0.00 -0.03 0.87 0.00 0.00 0.00 179.25 180.04 3cmc h LYS 107 N 0.00 0.00 -0.41 0.00 1.57 -1.42 -0.20 116.57 116.11 3cmc h LYS 107 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3cmc h LYS 107 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3cmc h LYS 107 CO 0.00 0.03 0.00 0.45 -0.57 0.00 0.00 179.45 179.36 3cmc h HIS 108 N 0.00 0.69 -0.37 -1.35 3.86 -1.53 -0.36 115.15 116.09 3cmc h HIS 108 Ca -0.00 -0.08 -0.11 0.00 -1.16 0.00 0.00 60.37 59.01 3cmc h HIS 108 Cb 0.07 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 3cmc h HIS 108 CO 0.00 0.66 -0.21 -0.07 0.86 0.00 0.00 177.93 179.16 3cmc h LEU 109 N 0.62 0.82 -1.54 2.43 3.38 -1.22 -1.79 115.31 118.01 3cmc h LEU 109 Ca 0.13 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3cmc h LEU 109 Cb 0.39 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3cmc h LEU 109 CO 0.01 1.06 0.26 -0.33 0.09 0.00 0.00 178.44 179.54 3cmc h GLU 110 N 0.59 0.57 0.00 1.13 5.08 -1.03 0.66 114.58 121.57 3cmc h GLU 110 Ca 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3cmc h GLU 110 Cb 0.77 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3cmc h GLU 110 CO 0.06 0.39 0.00 0.00 -1.00 0.00 0.00 179.01 178.46 3cmc n ALA 111 N -2.47 2.55 0.00 3.43 0.00 -0.18 -4.88 120.51 118.95 3cmc n ALA 111 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3cmc n ALA 111 Cb 0.07 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3cmc n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cmc n GLY 112 N 0.68 0.76 3.86 0.00 0.00 0.22 -1.24 105.19 109.48 3cmc n GLY 112 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3cmc n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cmc s ALA 113 N -2.00 2.91 -0.19 4.61 0.00 -0.72 -3.78 121.76 122.60 3cmc s ALA 113 Ca 0.00 -0.14 0.18 0.00 0.00 0.00 0.00 51.96 51.99 3cmc s ALA 113 Cb 0.00 -3.08 -0.25 0.00 0.00 0.00 0.00 23.12 19.79 3cmc s ALA 113 CO 0.00 -0.98 0.10 1.63 0.00 0.00 0.00 175.76 176.52 3cmc n LYS 114 N -2.93 0.69 -3.99 0.00 5.02 0.17 -4.37 118.16 112.75 3cmc n LYS 114 Ca 0.07 0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.28 3cmc n LYS 114 Cb 0.55 -1.54 -0.10 0.00 -0.02 0.00 0.00 35.03 33.92 3cmc n LYS 114 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cmc s LYS 115 N -2.50 0.44 -0.05 1.97 -0.14 0.10 -4.83 119.74 114.74 3cmc s LYS 115 Ca -0.10 -0.76 0.02 0.00 -1.36 0.00 0.00 55.97 53.77 3cmc s LYS 115 Cb 0.06 0.16 0.02 0.00 -1.68 0.00 0.00 37.83 36.39 3cmc s LYS 115 CO 0.83 -0.09 -0.08 0.08 -0.76 0.00 0.00 175.35 175.33 3cmc s VAL 116 N -2.23 0.76 -0.27 3.17 1.01 -0.08 -0.75 120.40 122.01 3cmc s VAL 116 Ca -0.09 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 3cmc s VAL 116 Cb -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.62 3cmc s VAL 116 CO -0.04 0.26 0.03 -0.63 0.00 0.00 0.00 175.10 174.73 3cmc s ILE 117 N 0.66 3.75 -0.14 2.22 1.01 0.70 -0.94 121.20 128.46 3cmc s ILE 117 Ca -0.11 -0.61 -0.24 0.00 0.00 0.00 0.00 60.65 59.69 3cmc s ILE 117 Cb -0.13 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 3cmc s ILE 117 CO 0.01 0.21 0.74 -0.63 0.00 0.00 0.00 174.94 175.27 3cmc s ILE 118 N 1.49 4.97 -0.13 2.92 1.01 0.10 0.13 121.20 131.69 3cmc s ILE 118 Ca 0.04 1.47 -0.01 0.00 0.00 0.00 0.00 60.65 62.14 3cmc s ILE 118 Cb -0.16 -4.06 0.03 0.00 0.01 0.00 0.00 42.46 38.28 3cmc s ILE 118 CO 0.01 0.12 2.27 -1.54 0.00 0.00 0.00 174.94 175.79 3cmc n SER 119 N 4.74 5.75 -3.61 3.58 3.41 -0.41 -1.78 113.62 125.29 3cmc n SER 119 Ca 0.01 -2.67 -0.03 0.00 -0.26 0.00 0.00 58.87 55.93 3cmc n SER 119 Cb 0.50 -1.15 -0.01 0.00 -0.26 0.00 0.00 64.21 63.28 3cmc n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cmc s ALA 120 N -0.53 -2.07 0.39 7.33 0.00 -1.19 -4.92 121.76 120.78 3cmc s ALA 120 Ca 0.22 1.16 -0.26 0.00 0.00 0.00 0.00 51.96 53.08 3cmc s ALA 120 Cb 0.14 0.14 -0.11 0.00 0.00 0.00 0.00 23.12 23.29 3cmc s ALA 120 CO -0.02 -0.78 1.17 -2.30 0.00 0.00 0.00 175.76 173.83 3cmc n PRO 121 N -0.26 1.73 -4.63 0.00 -0.02 -1.21 -4.17 135.00 126.44 3cmc n PRO 121 Ca -0.04 0.61 -0.29 0.00 -2.02 0.00 0.00 63.50 61.77 3cmc n PRO 121 Cb 0.60 -2.22 -0.09 0.00 -0.02 0.00 0.00 33.50 31.78 3cmc n PRO 121 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cmc s ALA 122 N -1.19 3.38 -0.12 3.55 0.00 -1.26 -4.90 121.76 121.22 3cmc s ALA 122 Ca 0.60 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 51.30 3cmc s ALA 122 Cb -0.55 0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.87 3cmc s ALA 122 CO 0.59 -0.15 -0.19 0.21 0.00 0.00 0.00 175.76 176.21 3cmc s LYS 122 N -3.80 2.66 -1.32 0.00 2.20 -0.76 -4.74 119.74 113.98 3cmc s LYS 122 Ca 0.21 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 55.09 3cmc s LYS 122 Cb 0.05 -2.15 0.00 0.00 -1.51 0.00 0.00 37.83 34.22 3cmc s LYS 122 CO 0.11 0.01 0.00 0.09 -0.36 0.00 0.00 175.35 175.20 3cmc n ASN 123 N 3.99 -4.47 -4.76 1.43 3.02 -1.26 -1.10 115.26 112.10 3cmc n ASN 123 Ca -0.20 0.28 -0.31 0.00 -0.03 0.00 0.00 54.58 54.33 3cmc n ASN 123 Cb 0.52 -3.14 0.09 0.00 -0.61 0.00 0.00 39.78 36.64 3cmc n ASN 123 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3cmc s GLU 124 N -3.21 2.22 0.17 3.52 1.03 -1.26 -4.62 118.70 116.56 3cmc s GLU 124 Ca 0.00 1.19 -0.08 0.00 0.03 0.00 0.00 54.97 56.11 3cmc s GLU 124 Cb 0.00 -1.89 0.06 0.00 -0.80 0.00 0.00 34.13 31.49 3cmc s GLU 124 CO 0.00 -1.67 1.55 -0.44 -1.33 0.00 0.00 175.26 173.37 3cmc h ASP 125 N -1.12 0.93 -4.83 0.83 3.32 -1.27 -3.46 116.42 110.81 3cmc h ASP 125 Ca -0.44 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.23 3cmc h ASP 125 Cb 1.23 -0.26 -0.17 0.00 0.22 0.00 0.00 39.33 40.35 3cmc h ASP 125 CO 0.51 1.14 0.28 -0.51 -1.72 0.00 0.00 179.24 178.94 3cmc s ILE 126 N -4.55 0.00 -0.15 0.35 2.07 -1.20 -4.97 121.20 112.75 3cmc s ILE 126 Ca -0.10 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.13 3cmc s ILE 126 Cb 0.12 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.71 3cmc s ILE 126 CO 0.86 0.00 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.86 3cmc s THR 127 N -2.08 2.84 0.01 4.00 2.01 -1.26 -0.94 115.64 120.22 3cmc s THR 127 Ca -0.05 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.31 3cmc s THR 127 Cb -0.00 -2.20 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 3cmc s THR 127 CO 0.00 0.51 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.59 3cmc s ILE 128 N 0.71 1.81 -0.22 1.82 -1.09 0.06 -4.73 121.20 119.55 3cmc s ILE 128 Ca -0.06 -1.08 0.01 0.00 -2.23 0.00 0.00 60.65 57.29 3cmc s ILE 128 Cb -0.15 -1.52 0.05 0.00 -1.58 0.00 0.00 42.46 39.25 3cmc s ILE 128 CO 0.02 0.41 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.34 3cmc s VAL 129 N -0.63 1.81 0.18 2.92 1.01 -1.26 -4.04 120.40 120.39 3cmc s VAL 129 Ca 0.09 -1.23 -0.33 0.00 0.00 0.00 0.00 61.98 60.51 3cmc s VAL 129 Cb -0.09 -1.91 -0.14 0.00 0.00 0.00 0.00 36.38 34.25 3cmc s VAL 129 CO 0.00 0.09 1.53 0.23 0.00 0.00 0.00 175.10 176.95 3cmc n MET 130 N 4.60 2.10 0.00 2.72 0.00 -1.26 -0.53 117.12 124.75 3cmc n MET 130 Ca -0.14 0.76 0.00 0.00 0.00 0.00 0.00 57.70 58.31 3cmc n MET 130 Cb 0.45 -2.50 0.00 0.00 0.00 0.00 0.00 33.22 31.17 3cmc n MET 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3cmc n GLY 131 N 3.07 2.02 0.59 3.03 0.00 -1.26 -4.85 105.19 107.78 3cmc n GLY 131 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 3cmc n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3cmc n VAL 132 N -2.00 0.61 -2.20 1.61 0.31 0.31 -4.95 118.33 112.02 3cmc n VAL 132 Ca 0.00 -0.16 -0.01 0.00 -0.01 0.00 0.00 64.34 64.16 3cmc n VAL 132 Cb 0.00 -1.57 -0.01 0.00 -0.91 0.00 0.00 33.84 31.35 3cmc n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3cmc n ASN 133 N -3.43 0.08 0.26 4.52 6.94 -0.75 -4.91 115.26 117.98 3cmc n ASN 133 Ca -0.22 -1.88 0.14 0.00 -0.02 0.00 0.00 54.58 52.60 3cmc n ASN 133 Cb 0.66 -0.06 0.82 0.00 -2.36 0.00 0.00 39.78 38.84 3cmc n ASN 133 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 3cmc h GLN 134 N 0.40 0.00 0.00 -3.83 -0.00 -1.93 0.06 115.11 109.81 3cmc h GLN 134 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.38 3cmc h GLN 134 Cb 1.55 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.03 3cmc h GLN 134 CO -0.05 0.00 0.00 -0.40 -0.00 0.00 0.00 178.83 178.38 3cmc n ASP 135 N -4.06 0.38 0.10 0.06 5.75 -1.26 -0.88 116.55 116.63 3cmc n ASP 135 Ca -0.02 0.61 0.13 0.00 -0.01 0.00 0.00 54.79 55.50 3cmc n ASP 135 Cb 0.14 -0.68 0.43 0.00 -1.03 0.00 0.00 41.12 39.98 3cmc n ASP 135 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3cmc n LYS 136 N -1.94 0.23 -2.03 0.11 4.76 0.01 -4.83 118.16 114.48 3cmc n LYS 136 Ca 0.02 0.25 -0.41 0.00 -2.87 0.00 0.00 58.31 55.30 3cmc n LYS 136 Cb 0.15 -1.80 -0.02 0.00 -1.84 0.00 0.00 35.03 31.53 3cmc n LYS 136 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3cmc s TYR 137 N -3.14 2.93 -0.21 2.13 6.14 -0.06 -5.00 117.35 120.13 3cmc s TYR 137 Ca 0.09 1.31 0.01 0.00 0.64 0.00 0.00 57.07 59.12 3cmc s TYR 137 Cb 0.12 -3.78 0.05 0.00 0.42 0.00 0.00 41.96 38.77 3cmc s TYR 137 CO 0.54 -2.24 -0.09 0.34 0.64 0.00 0.00 175.55 174.75 3cmc s ASP 138 N -0.29 3.58 0.58 4.32 -1.08 -1.26 -5.02 116.67 117.50 3cmc s ASP 138 Ca 0.51 -0.99 0.28 0.00 -0.52 0.00 0.00 52.55 51.83 3cmc s ASP 138 Cb -0.42 -1.25 1.72 0.00 -1.46 0.00 0.00 42.92 41.52 3cmc s ASP 138 CO 0.54 -0.17 2.19 1.55 0.52 0.00 0.00 175.17 179.80 3cmc h PRO 138 N 7.95 0.00 0.12 4.34 0.13 -1.88 0.24 132.00 142.90 3cmc h PRO 138 Ca -0.25 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.57 3cmc h PRO 138 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3cmc h PRO 138 CO 0.46 0.00 -1.64 0.87 -0.23 0.00 0.00 178.00 177.46 3cmc h LYS 139 N 0.00 0.25 0.00 0.86 1.79 -1.94 -3.40 116.57 114.13 3cmc h LYS 139 Ca 0.03 -0.43 -0.15 0.00 -2.18 0.00 0.00 60.65 57.93 3cmc h LYS 139 Cb 0.19 0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 3cmc h LYS 139 CO -0.00 1.21 -0.91 0.00 -1.08 0.00 0.00 179.45 178.67 3cmc h ALA 140 N -0.03 0.63 -3.29 3.86 0.00 -1.92 -3.44 119.26 115.07 3cmc h ALA 140 Ca -0.36 -0.68 -0.69 0.00 0.00 0.00 0.00 54.91 53.19 3cmc h ALA 140 Cb 1.86 0.05 -0.32 0.00 0.00 0.00 0.00 17.79 19.37 3cmc h ALA 140 CO 0.06 0.84 -0.62 -1.01 0.00 0.00 0.00 179.25 178.51 3cmc s HIS 141 N -2.90 3.38 -0.15 0.00 3.76 0.05 -4.92 115.29 114.51 3cmc s HIS 141 Ca 0.01 -1.97 0.12 0.00 -0.15 0.00 0.00 55.06 53.07 3cmc s HIS 141 Cb 0.08 -2.57 -0.18 0.00 1.11 0.00 0.00 32.58 31.03 3cmc s HIS 141 CO 0.78 -0.85 0.03 0.72 -0.85 0.00 0.00 174.74 174.57 3cmc n HIS 142 N 4.66 0.00 -3.86 1.40 8.25 -1.26 -4.75 115.22 119.65 3cmc n HIS 142 Ca -0.09 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.01 3cmc n HIS 142 Cb 0.43 -0.72 -0.13 0.00 1.12 0.00 0.00 29.99 30.68 3cmc n HIS 142 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3cmc s VAL 143 N -2.36 3.22 -0.05 1.59 1.01 -1.26 -0.90 120.40 121.66 3cmc s VAL 143 Ca -0.09 -1.35 0.05 0.00 0.00 0.00 0.00 61.98 60.59 3cmc s VAL 143 Cb 0.05 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 3cmc s VAL 143 CO 0.58 -0.16 -0.20 -0.63 0.00 0.00 0.00 175.10 174.69 3cmc s ILE 144 N 1.29 1.69 -0.07 2.22 1.09 -0.12 -0.67 121.20 126.63 3cmc s ILE 144 Ca -0.04 -0.86 -0.10 0.00 -1.10 0.00 0.00 60.65 58.55 3cmc s ILE 144 Cb -0.20 -1.44 -0.05 0.00 -1.06 0.00 0.00 42.46 39.71 3cmc s ILE 144 CO -0.00 0.48 0.24 -0.55 -0.10 0.00 0.00 174.94 175.01 3cmc s SER 145 N -0.02 6.55 -0.09 3.58 0.15 -0.11 0.00 113.70 123.75 3cmc s SER 145 Ca -0.04 0.66 0.13 0.00 0.70 0.00 0.00 55.95 57.40 3cmc s SER 145 Cb -0.13 -2.14 0.55 0.00 -1.71 0.00 0.00 66.02 62.59 3cmc s SER 145 CO 0.03 0.37 1.41 -3.20 1.20 0.00 0.00 173.24 173.05 3cmc n ASN 146 N 1.94 3.76 0.00 5.45 4.05 -0.74 -0.76 115.26 128.96 3cmc n ASN 146 Ca -0.18 -2.36 0.00 0.00 0.45 0.00 0.00 54.58 52.49 3cmc n ASN 146 Cb 0.54 -0.51 0.00 0.00 1.23 0.00 0.00 39.78 41.04 3cmc n ASN 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3cmc n ALA 147 N 0.76 0.00 -2.27 5.20 0.00 -1.26 -4.78 120.51 118.17 3cmc n ALA 147 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.42 3cmc n ALA 147 Cb 0.72 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.14 3cmc n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3cmc s SER 148 N -4.00 5.03 0.20 0.00 1.04 -1.26 -3.14 113.70 111.57 3cmc s SER 148 Ca 0.00 -0.74 -0.08 0.00 0.48 0.00 0.00 55.95 55.61 3cmc s SER 148 Cb 0.00 -0.61 0.13 0.00 0.10 0.00 0.00 66.02 65.64 3cmc s SER 148 CO 0.00 -0.61 1.74 0.00 0.98 0.00 0.00 173.24 175.35 3cmc h THR 150 N 1.11 1.26 -0.55 0.00 2.02 -1.95 -1.68 112.91 113.11 3cmc h THR 150 Ca 0.24 -1.01 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 3cmc h THR 150 Cb 0.30 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 3cmc h THR 150 CO -0.01 0.36 0.13 0.74 0.37 0.00 0.00 175.52 177.11 3cmc h THR 151 N 0.78 1.23 0.00 3.16 2.02 -1.82 0.13 112.91 118.41 3cmc h THR 151 Ca 0.16 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 3cmc h THR 151 Cb 0.46 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3cmc h THR 151 CO 0.02 0.31 -0.16 0.78 0.37 0.00 0.00 175.52 176.84 3cmc h ASN 152 N 0.82 0.00 0.06 4.18 2.35 -0.81 0.21 115.58 122.40 3cmc h ASN 152 Ca 0.18 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.83 3cmc h ASN 152 Cb 0.31 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.69 3cmc h ASN 152 CO -0.00 0.16 -0.48 0.00 -1.65 0.00 0.00 177.43 175.47 3cmc h LEU 154 N -0.72 0.36 -0.85 0.00 5.85 -0.77 -3.36 115.31 115.83 3cmc h LEU 154 Ca -0.09 -0.75 0.12 0.00 0.84 0.00 0.00 57.88 57.99 3cmc h LEU 154 Cb 1.31 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.15 3cmc h LEU 154 CO 0.05 1.06 0.47 0.00 -0.34 0.00 0.00 178.44 179.68 3cmc h ALA 155 N 0.30 1.25 -0.60 1.25 0.00 -0.78 0.44 119.26 121.12 3cmc h ALA 155 Ca -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3cmc h ALA 155 Cb 1.11 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3cmc h ALA 155 CO 0.08 0.02 0.34 -1.35 0.00 0.00 0.00 179.25 178.34 3cmc h PRO 156 N 0.73 0.82 0.00 0.00 0.11 -1.74 0.89 132.00 132.81 3cmc h PRO 156 Ca 0.43 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 66.38 3cmc h PRO 156 Cb 0.51 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 3cmc h PRO 156 CO -0.30 0.61 -0.45 0.27 -0.21 0.00 0.00 178.00 177.92 3cmc h PHE 157 N 0.81 0.00 -0.46 0.65 -0.00 -1.62 -2.99 116.94 113.33 3cmc h PHE 157 Ca 0.21 0.00 -0.10 0.00 -0.00 0.00 0.00 57.97 58.08 3cmc h PHE 157 Cb 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 35.95 3cmc h PHE 157 CO -0.01 0.38 -0.13 0.00 -0.00 0.00 0.00 178.31 178.54 3cmc h ALA 158 N 1.62 0.90 -0.21 12.09 0.00 -0.60 -0.45 119.26 132.62 3cmc h ALA 158 Ca -0.01 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.61 3cmc h ALA 158 Cb 1.30 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3cmc h ALA 158 CO 0.05 0.63 -0.09 -0.22 0.00 0.00 0.00 179.25 179.61 3cmc h LYS 159 N 0.76 -0.06 -0.10 0.00 3.64 -0.75 0.68 116.57 120.73 3cmc h LYS 159 Ca 0.12 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3cmc h LYS 159 Cb 0.65 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3cmc h LYS 159 CO 0.05 -0.04 0.05 0.28 -2.27 0.00 0.00 179.45 177.52 3cmc h VAL 160 N -0.07 1.09 -0.45 2.00 2.07 -1.32 -0.21 116.25 119.37 3cmc h VAL 160 Ca 0.11 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3cmc h VAL 160 Cb 0.24 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3cmc h VAL 160 CO -0.26 0.08 0.27 -0.07 0.02 0.00 0.00 177.57 177.62 3cmc h LEU 161 N 0.06 0.54 -0.14 2.57 3.38 -0.87 -0.57 115.31 120.28 3cmc h LEU 161 Ca 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3cmc h LEU 161 Cb 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3cmc h LEU 161 CO -0.01 0.43 0.04 -0.74 0.09 0.00 0.00 178.44 178.25 3cmc h HIS 162 N 0.60 0.24 -0.75 1.13 2.76 -0.67 0.94 115.15 119.39 3cmc h HIS 162 Ca 0.16 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.28 3cmc h HIS 162 Cb -0.01 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 28.85 3cmc h HIS 162 CO -0.03 0.37 0.38 0.93 -1.30 0.00 0.00 177.93 178.28 3cmc h GLU 163 N 0.04 1.06 0.17 5.26 5.08 -0.91 0.12 114.58 125.40 3cmc h GLU 163 Ca 0.05 -0.14 -0.32 0.00 -1.00 0.00 0.00 59.36 57.94 3cmc h GLU 163 Cb 0.25 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.31 3cmc h GLU 163 CO 0.00 0.82 -1.51 1.96 -1.00 0.00 0.00 179.01 179.27 3cmc h GLN 164 N 1.05 0.35 0.00 2.33 1.08 -1.05 -3.42 115.11 115.45 3cmc h GLN 164 Ca 0.26 -0.60 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 3cmc h GLN 164 Cb 0.08 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3cmc h GLN 164 CO -0.04 1.25 -0.61 1.19 -0.95 0.00 0.00 178.83 179.68 3cmc n PHE 165 N -3.56 0.00 -0.63 2.96 3.01 0.23 -4.96 117.46 114.51 3cmc n PHE 165 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 3cmc n PHE 165 Cb 1.06 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.53 3cmc n PHE 165 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3cmc n GLY 166 N 1.60 -3.83 3.67 1.37 0.00 0.42 -1.33 105.19 107.08 3cmc n GLY 166 Ca 0.00 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 3cmc n GLY 166 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cmc s ILE 167 N -0.26 5.19 -0.15 -0.61 1.01 -1.26 -0.16 121.20 124.95 3cmc s ILE 167 Ca 0.00 0.73 -0.27 0.00 0.00 0.00 0.00 60.65 61.11 3cmc s ILE 167 Cb 0.00 -3.74 -0.24 0.00 0.01 0.00 0.00 42.46 38.49 3cmc s ILE 167 CO 0.00 0.25 0.67 0.58 0.00 0.00 0.00 174.94 176.43 3cmc h VAL 168 N 5.03 1.61 -2.16 2.92 2.07 -1.05 -3.47 116.25 121.20 3cmc h VAL 168 Ca -0.36 -2.28 0.13 0.00 0.82 0.00 0.00 66.70 65.02 3cmc h VAL 168 Cb 1.16 3.11 -0.16 0.00 -1.52 0.00 0.00 31.29 33.89 3cmc h VAL 168 CO 0.72 0.55 0.54 0.00 0.02 0.00 0.00 177.57 179.40 3cmc s ARG 169 N -2.22 0.75 -0.02 1.57 1.70 -1.22 -4.84 118.95 114.67 3cmc s ARG 169 Ca -0.20 -0.28 -0.29 0.00 -0.47 0.00 0.00 55.73 54.49 3cmc s ARG 169 Cb -0.02 0.34 0.10 0.00 -0.57 0.00 0.00 34.95 34.81 3cmc s ARG 169 CO 0.65 -0.33 0.86 0.20 -1.08 0.00 0.00 175.30 175.60 3cmc s GLY 170 N -2.45 -0.46 0.00 3.88 0.00 0.47 -1.10 107.32 107.67 3cmc s GLY 170 Ca 0.06 1.17 0.04 0.00 0.00 0.00 0.00 44.72 46.00 3cmc s GLY 170 CO -0.08 0.50 -0.14 1.06 0.00 0.00 0.00 173.10 174.45 3cmc s MET 171 N -2.64 1.05 0.21 2.90 -1.94 0.46 -2.67 119.30 116.67 3cmc s MET 171 Ca 0.02 -0.57 0.11 0.00 -1.71 0.00 0.00 55.69 53.54 3cmc s MET 171 Cb -0.01 -1.03 -0.05 0.00 2.01 0.00 0.00 34.83 35.75 3cmc s MET 171 CO -0.06 0.28 -0.21 0.00 -0.01 0.00 0.00 175.02 175.02 3cmc s MET 172 N -0.56 1.49 -0.02 2.03 0.23 -0.04 -0.71 119.30 121.72 3cmc s MET 172 Ca 0.04 -1.57 0.01 0.00 -1.03 0.00 0.00 55.69 53.14 3cmc s MET 172 Cb -0.06 -1.65 0.01 0.00 -1.53 0.00 0.00 34.83 31.60 3cmc s MET 172 CO 0.00 0.33 -0.03 0.99 -2.03 0.00 0.00 175.02 174.28 3cmc s THR 173 N -2.09 0.35 -0.20 3.16 2.01 -0.47 -1.38 115.64 117.02 3cmc s THR 173 Ca 0.22 -0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.07 3cmc s THR 173 Cb -0.06 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.08 3cmc s THR 173 CO 0.10 0.14 -0.01 0.28 -0.69 0.00 0.00 174.62 174.44 3cmc s THR 174 N 0.39 3.88 -0.37 -0.82 -1.32 -0.45 -0.73 115.64 116.22 3cmc s THR 174 Ca -0.04 -0.34 -0.23 0.00 -1.21 0.00 0.00 61.69 59.87 3cmc s THR 174 Cb -0.07 -2.75 0.01 0.00 -1.51 0.00 0.00 72.50 68.17 3cmc s THR 174 CO -0.00 0.43 0.75 -0.69 -2.21 0.00 0.00 174.62 172.90 3cmc s VAL 175 N 0.97 4.76 -0.02 5.08 1.01 -0.19 -0.65 120.40 131.37 3cmc s VAL 175 Ca 0.01 0.80 0.04 0.00 0.00 0.00 0.00 61.98 62.84 3cmc s VAL 175 Cb -0.14 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 3cmc s VAL 175 CO 0.02 -0.42 -0.14 -2.28 0.00 0.00 0.00 175.10 172.27 3cmc s HIS 176 N 3.03 1.34 0.72 5.22 5.04 0.07 -0.81 115.29 129.90 3cmc s HIS 176 Ca 0.30 -0.31 -0.16 0.00 -1.54 0.00 0.00 55.06 53.35 3cmc s HIS 176 Cb -0.13 -0.89 0.03 0.00 0.04 0.00 0.00 32.58 31.62 3cmc s HIS 176 CO 0.17 -0.07 1.21 0.43 -2.34 0.00 0.00 174.74 174.13 3cmc n SER 177 N 2.94 1.43 -4.77 9.88 7.64 -1.18 -1.22 113.62 128.33 3cmc n SER 177 Ca -0.16 0.71 -0.31 0.00 1.01 0.00 0.00 58.87 60.12 3cmc n SER 177 Cb 0.54 -1.51 0.09 0.00 -1.01 0.00 0.00 64.21 62.32 3cmc n SER 177 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3cmc s TYR 178 N -1.73 2.61 0.35 1.43 -0.85 -0.29 -4.70 117.35 114.18 3cmc s TYR 178 Ca 0.78 1.52 0.04 0.00 -0.52 0.00 0.00 57.07 58.89 3cmc s TYR 178 Cb -0.34 -3.04 -0.03 0.00 0.38 0.00 0.00 41.96 38.93 3cmc s TYR 178 CO 0.46 -1.79 0.17 0.95 -1.52 0.00 0.00 175.55 173.82 3cmc s THR 179 N -2.92 0.41 -1.38 -3.49 -4.23 -1.26 -4.69 115.64 98.07 3cmc s THR 179 Ca 0.61 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.25 3cmc s THR 179 Cb -0.17 -2.45 0.21 0.00 1.34 0.00 0.00 72.50 71.43 3cmc s THR 179 CO 0.56 0.00 1.34 0.59 -0.54 0.00 0.00 174.62 176.57 3cmc n ASN 180 N -1.19 0.00 -0.00 3.99 3.02 -1.26 -1.38 115.26 118.44 3cmc n ASN 180 Ca -0.01 0.15 0.14 0.00 -0.03 0.00 0.00 54.58 54.83 3cmc n ASN 180 Cb 0.64 -0.31 0.63 0.00 -0.61 0.00 0.00 39.78 40.13 3cmc n ASN 180 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3cmc n ASP 181 N -1.31 0.00 -1.76 6.41 2.03 -1.26 -4.85 116.55 115.81 3cmc n ASP 181 Ca 0.06 0.45 0.00 0.00 0.52 0.00 0.00 54.79 55.82 3cmc n ASP 181 Cb 0.11 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 3cmc n ASP 181 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3cmc n GLN 182 N -1.48 1.62 -4.16 -0.67 6.02 -0.48 -4.97 117.38 113.27 3cmc n GLN 182 Ca 0.08 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.91 3cmc n GLN 182 Cb 0.33 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.47 3cmc n GLN 182 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3cmc s ARG 183 N 0.66 0.64 -0.03 -1.09 1.81 -1.21 -5.01 118.95 114.72 3cmc s ARG 183 Ca 0.00 -0.68 -0.21 0.00 -1.72 0.00 0.00 55.73 53.11 3cmc s ARG 183 Cb 0.00 -0.53 -0.15 0.00 -0.45 0.00 0.00 34.95 33.82 3cmc s ARG 183 CO 0.00 0.12 0.94 0.82 -0.68 0.00 0.00 175.30 176.50 3cmc h ILE 184 N 4.56 0.61 -3.25 1.52 2.04 -1.90 -0.12 117.51 120.98 3cmc h ILE 184 Ca -0.36 -0.85 -0.45 0.00 1.00 0.00 0.00 64.86 64.21 3cmc h ILE 184 Cb 1.19 0.98 -0.38 0.00 -0.74 0.00 0.00 36.82 37.87 3cmc h ILE 184 CO 0.43 0.14 -0.77 -0.76 0.00 0.00 0.00 178.15 177.19 3cmc s LEU 185 N -9.18 0.67 0.00 1.44 1.43 -1.26 -3.70 118.68 108.08 3cmc s LEU 185 Ca -0.12 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3cmc s LEU 185 Cb 0.01 -0.48 0.00 0.00 0.03 0.00 0.00 46.19 45.75 3cmc s LEU 185 CO 0.45 -0.20 0.00 0.47 0.23 0.00 0.00 176.35 177.30 3cmc n ASP 186 N 5.13 0.00 -4.20 2.29 9.92 -1.23 -4.83 116.55 123.62 3cmc n ASP 186 Ca -0.08 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.06 3cmc n ASP 186 Cb 0.50 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.88 3cmc n ASP 186 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3cmc s LEU 187 N 0.00 2.50 0.32 0.64 1.43 -0.24 -5.00 118.68 118.33 3cmc s LEU 187 Ca 0.00 -0.98 -0.28 0.00 -1.03 0.00 0.00 54.13 51.83 3cmc s LEU 187 Cb 0.00 -0.21 -0.13 0.00 0.03 0.00 0.00 46.19 45.88 3cmc s LEU 187 CO 0.00 -0.39 1.24 -2.65 0.23 0.00 0.00 176.35 174.78 3cmc n PRO 188 N -0.02 1.93 -3.64 1.29 -0.02 -1.26 -4.46 135.00 128.81 3cmc n PRO 188 Ca -0.12 0.68 -0.15 0.00 -2.02 0.00 0.00 63.50 61.89 3cmc n PRO 188 Cb 0.60 -2.22 -0.08 0.00 -0.02 0.00 0.00 33.50 31.79 3cmc n PRO 188 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3cmc s HIS 190 N -0.95 -0.53 0.47 6.00 2.46 -1.26 -4.91 115.29 116.56 3cmc s HIS 190 Ca 0.58 1.08 0.20 0.00 0.47 0.00 0.00 55.06 57.39 3cmc s HIS 190 Cb -0.61 0.26 1.26 0.00 -0.13 0.00 0.00 32.58 33.35 3cmc s HIS 190 CO 0.60 -0.43 2.07 -0.22 -2.47 0.00 0.00 174.74 174.29 3cmc h LYS 191 N 4.11 0.00 -4.42 2.88 3.64 -1.98 -3.35 116.57 117.46 3cmc h LYS 191 Ca -0.28 0.00 -0.73 0.00 -1.27 0.00 0.00 60.65 58.37 3cmc h LYS 191 Cb 1.16 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.76 3cmc h LYS 191 CO 0.29 0.12 -0.39 0.34 -2.27 0.00 0.00 179.45 177.54 3cmc s ASP 192 N -6.69 6.08 0.50 4.20 -1.08 -1.26 -4.95 116.67 113.47 3cmc s ASP 192 Ca -0.04 -1.13 0.34 0.00 -0.52 0.00 0.00 52.55 51.20 3cmc s ASP 192 Cb 0.15 -2.15 1.83 0.00 -1.46 0.00 0.00 42.92 41.29 3cmc s ASP 192 CO 0.65 -0.54 2.04 -0.07 0.52 0.00 0.00 175.17 177.76 3cmc h LEU 193 N 8.66 0.00 0.19 -1.34 3.38 -1.99 -1.39 115.31 122.82 3cmc h LEU 193 Ca -0.27 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.39 3cmc h LEU 193 Cb 1.11 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.88 3cmc h LEU 193 CO 0.79 0.00 -1.48 0.03 0.09 0.00 0.00 178.44 177.87 3cmc h ARG 194 N 0.00 0.40 0.00 1.13 2.47 -1.92 -3.29 114.38 113.17 3cmc h ARG 194 Ca 0.00 -0.68 0.00 0.00 -1.26 0.00 0.00 59.98 58.04 3cmc h ARG 194 Cb 0.02 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 3cmc h ARG 194 CO 0.00 1.32 0.00 0.54 0.56 0.00 0.00 179.97 182.39 3cmc n ARG 195 N -3.77 0.01 0.25 0.04 1.74 -0.61 -1.84 116.66 112.48 3cmc n ARG 195 Ca -0.21 0.26 0.13 0.00 -0.77 0.00 0.00 57.85 57.26 3cmc n ARG 195 Cb 1.01 -1.53 0.59 0.00 -1.02 0.00 0.00 32.46 31.52 3cmc n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cmc h ALA 196 N 2.49 1.04 -2.28 7.54 0.00 -1.38 -3.20 119.26 123.47 3cmc h ALA 196 Ca 0.00 -0.11 -0.48 0.00 0.00 0.00 0.00 54.91 54.32 3cmc h ALA 196 Cb 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3cmc h ALA 196 CO 0.00 0.15 0.18 1.03 0.00 0.00 0.00 179.25 180.62 3cmc s ARG 197 N -3.73 4.14 -0.47 0.00 1.81 -0.77 -1.08 118.95 118.86 3cmc s ARG 197 Ca 0.00 0.86 -0.43 0.00 -1.72 0.00 0.00 55.73 54.45 3cmc s ARG 197 Cb 0.10 -2.44 -0.18 0.00 -0.45 0.00 0.00 34.95 31.98 3cmc s ARG 197 CO 0.59 0.14 2.07 0.00 -0.68 0.00 0.00 175.30 177.42 3cmc n ALA 198 N -0.24 0.14 -0.20 2.13 0.00 -1.26 -4.39 120.51 116.69 3cmc n ALA 198 Ca 0.04 0.20 -0.05 0.00 0.00 0.00 0.00 53.44 53.63 3cmc n ALA 198 Cb 0.53 -2.13 0.12 0.00 0.00 0.00 0.00 19.45 17.97 3cmc n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cmc h ALA 199 N 8.93 1.10 -0.17 0.00 0.00 -1.09 -2.77 119.26 125.26 3cmc h ALA 199 Ca -0.18 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3cmc h ALA 199 Cb 1.40 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3cmc h ALA 199 CO 1.06 0.61 0.00 0.00 0.00 0.00 0.00 179.25 180.92 3cmc n ALA 200 N -2.46 2.52 0.06 0.00 0.00 -1.26 -4.10 120.51 115.28 3cmc n ALA 200 Ca 0.05 -0.51 0.05 0.00 0.00 0.00 0.00 53.44 53.03 3cmc n ALA 200 Cb 0.23 -1.09 -0.08 0.00 0.00 0.00 0.00 19.45 18.52 3cmc n ALA 200 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3cmc n GLU 201 N 0.28 0.79 -4.18 0.00 -0.58 -1.05 -4.75 120.64 111.16 3cmc n GLU 201 Ca 0.16 -0.08 -0.11 0.00 -0.42 0.00 0.00 57.16 56.71 3cmc n GLU 201 Cb 0.31 -1.21 -0.10 0.00 -0.57 0.00 0.00 31.44 29.87 3cmc n GLU 201 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3cmc s SER 202 N -3.02 0.91 -0.20 1.62 0.01 -1.21 -5.05 113.70 106.77 3cmc s SER 202 Ca -0.03 -1.10 -0.27 0.00 1.31 0.00 0.00 55.95 55.86 3cmc s SER 202 Cb 0.07 0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.45 3cmc s SER 202 CO 0.43 -0.57 0.94 -0.63 0.41 0.00 0.00 173.24 173.83 3cmc s ILE 203 N -3.76 4.78 -0.30 1.44 1.01 -1.26 -4.17 121.20 118.94 3cmc s ILE 203 Ca 0.17 1.85 0.02 0.00 0.00 0.00 0.00 60.65 62.70 3cmc s ILE 203 Cb 0.06 -4.23 0.08 0.00 0.01 0.00 0.00 42.46 38.38 3cmc s ILE 203 CO -0.02 -0.08 0.01 -0.63 0.00 0.00 0.00 174.94 174.23 3cmc s ILE 204 N 2.67 1.85 0.41 2.92 1.01 0.68 -4.95 121.20 125.79 3cmc s ILE 204 Ca 0.42 -1.82 -0.26 0.00 0.00 0.00 0.00 60.65 58.98 3cmc s ILE 204 Cb -0.16 -2.25 -0.09 0.00 0.01 0.00 0.00 42.46 39.97 3cmc s ILE 204 CO 0.10 -0.41 1.35 -2.84 0.00 0.00 0.00 174.94 173.13 3cmc s PRO 205 N 1.17 3.96 0.00 2.79 0.02 -1.26 -0.49 135.00 141.18 3cmc s PRO 205 Ca 0.04 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.32 3cmc s PRO 205 Cb -0.19 -2.78 0.00 0.00 0.02 0.00 0.00 34.50 31.55 3cmc s PRO 205 CO -0.10 -0.54 0.00 -2.37 -0.33 0.00 0.00 177.00 173.66 3cmc n THR 206 N 0.15 0.00 -2.93 0.99 5.66 -0.11 -4.73 114.28 113.31 3cmc n THR 206 Ca 0.03 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.73 3cmc n THR 206 Cb 0.43 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.17 3cmc n THR 206 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3cmc s THR 207 N -2.70 4.79 -0.06 1.09 -4.23 -1.26 -1.20 115.64 112.07 3cmc s THR 207 Ca 0.00 0.62 0.02 0.00 -1.18 0.00 0.00 61.69 61.15 3cmc s THR 207 Cb 0.00 -3.71 0.01 0.00 1.34 0.00 0.00 72.50 70.14 3cmc s THR 207 CO 0.00 -0.45 -0.11 0.28 -0.54 0.00 0.00 174.62 173.80 3cmc s THR 208 N -2.29 1.00 0.64 3.99 -1.32 -1.26 -4.47 115.64 111.92 3cmc s THR 208 Ca 0.51 -0.40 0.38 0.00 -1.21 0.00 0.00 61.69 60.97 3cmc s THR 208 Cb -0.10 -0.93 0.41 0.00 -1.51 0.00 0.00 72.50 70.37 3cmc s THR 208 CO 0.29 0.32 2.31 1.23 -2.21 0.00 0.00 174.62 176.57 3cmc h GLY 209 N 6.97 0.00 2.00 6.08 0.00 -1.98 -2.21 103.07 113.93 3cmc h GLY 209 Ca -0.33 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3cmc h GLY 209 CO 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.92 3cmc h ALA 210 N 1.97 1.06 -2.30 3.60 0.00 -1.94 -3.32 119.26 118.33 3cmc h ALA 210 Ca 0.00 -0.08 -0.54 0.00 0.00 0.00 0.00 54.91 54.29 3cmc h ALA 210 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3cmc h ALA 210 CO -0.00 0.11 1.09 0.00 0.00 0.00 0.00 179.25 180.45 3cmc s ALA 211 N -3.80 3.62 0.00 0.00 0.00 -0.83 -2.97 121.76 117.77 3cmc s ALA 211 Ca -0.00 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.98 3cmc s ALA 211 Cb 0.10 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.48 3cmc s ALA 211 CO 0.57 -1.37 0.00 1.63 0.00 0.00 0.00 175.76 176.59 3cmc n LYS 212 N 6.94 0.00 0.24 0.00 5.02 -1.26 -4.73 118.16 124.37 3cmc n LYS 212 Ca 0.17 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.62 3cmc n LYS 212 Cb 0.42 -1.01 0.60 0.00 -0.02 0.00 0.00 35.03 35.02 3cmc n LYS 212 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cmc h ALA 213 N 0.00 1.00 -0.26 7.82 0.00 -1.63 -2.35 119.26 123.84 3cmc h ALA 213 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3cmc h ALA 213 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3cmc h ALA 213 CO 0.00 0.00 0.17 0.28 0.00 0.00 0.00 179.25 179.70 3cmc h VAL 214 N 0.00 0.99 0.00 0.00 2.07 -1.84 -1.36 116.25 116.10 3cmc h VAL 214 Ca 0.00 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3cmc h VAL 214 Cb 0.52 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3cmc h VAL 214 CO 0.00 0.04 -0.05 0.00 0.02 0.00 0.00 177.57 177.58 3cmc h ALA 215 N 1.86 1.64 -0.08 1.67 0.00 -1.61 0.23 119.26 122.97 3cmc h ALA 215 Ca 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3cmc h ALA 215 Cb 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3cmc h ALA 215 CO -0.02 0.06 -0.17 -0.07 0.00 0.00 0.00 179.25 179.05 3cmc h LEU 216 N 0.00 0.12 0.00 0.00 3.38 -1.41 -2.57 115.31 114.83 3cmc h LEU 216 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3cmc h LEU 216 Cb 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3cmc h LEU 216 CO 0.01 0.31 -1.32 1.33 0.09 0.00 0.00 178.44 178.85 3cmc n VAL 217 N -4.28 0.00 -3.38 1.22 0.24 -0.40 -4.68 118.33 107.05 3cmc n VAL 217 Ca -0.01 -0.27 -0.26 0.00 -2.04 0.00 0.00 64.34 61.76 3cmc n VAL 217 Cb 0.27 0.42 -0.08 0.00 -1.47 0.00 0.00 33.84 32.98 3cmc n VAL 217 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3cmc n LEU 218 N -1.77 1.36 -0.37 1.34 4.77 0.69 -4.63 117.00 118.38 3cmc n LEU 218 Ca -0.01 -4.90 0.35 0.00 -0.03 0.00 0.00 56.01 51.42 3cmc n LEU 218 Cb 0.30 0.10 0.71 0.00 -2.33 0.00 0.00 43.42 42.20 3cmc n LEU 218 CO 0.27 1.99 1.31 -0.65 -1.33 0.00 0.00 177.39 178.98 3cmc h PRO 219 N 4.53 0.08 0.00 3.23 0.11 -1.70 0.14 132.00 138.39 3cmc h PRO 219 Ca 0.15 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3cmc h PRO 219 Cb 0.81 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3cmc h PRO 219 CO 0.58 0.05 0.00 0.93 -0.21 0.00 0.00 178.00 179.35 3cmc h GLU 220 N 0.08 0.00 -0.70 1.05 5.08 -1.94 -1.87 114.58 116.28 3cmc h GLU 220 Ca 0.63 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.99 3cmc h GLU 220 Cb 2.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.55 3cmc h GLU 220 CO -0.10 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.19 3cmc n LEU 221 N -2.97 3.77 -4.66 1.33 4.77 0.50 -4.95 117.00 114.80 3cmc n LEU 221 Ca -0.02 -1.89 -0.47 0.00 -0.03 0.00 0.00 56.01 53.60 3cmc n LEU 221 Cb 0.11 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.69 3cmc n LEU 221 CO 0.20 0.93 1.14 1.17 -1.33 0.00 0.00 177.39 179.50 3cmc n LYS 222 N 1.52 1.99 -0.89 3.23 4.81 -0.70 -1.25 118.16 126.87 3cmc n LYS 222 Ca 0.23 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 3cmc n LYS 222 Cb 0.60 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.18 3cmc n LYS 222 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cmc n GLY 223 N 3.26 0.29 0.00 3.14 0.00 -1.26 -4.85 105.19 105.78 3cmc n GLY 223 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 3cmc n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cmc n LYS 224 N -1.19 0.14 -4.22 1.61 5.02 -0.38 -4.97 118.16 114.16 3cmc n LYS 224 Ca 0.00 -0.04 -0.17 0.00 -2.02 0.00 0.00 58.31 56.09 3cmc n LYS 224 Cb 0.18 -1.51 -0.11 0.00 -0.02 0.00 0.00 35.03 33.57 3cmc n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3cmc s LEU 225 N -3.35 2.41 0.23 -0.35 1.43 -1.26 -0.39 118.68 117.40 3cmc s LEU 225 Ca 0.05 -0.82 -0.22 0.00 -1.03 0.00 0.00 54.13 52.11 3cmc s LEU 225 Cb 0.16 -0.46 0.04 0.00 0.03 0.00 0.00 46.19 45.95 3cmc s LEU 225 CO 0.86 -0.19 0.83 0.21 0.23 0.00 0.00 176.35 178.29 3cmc s ASN 226 N -2.47 -0.20 0.00 2.29 3.84 -1.09 -4.02 114.94 113.28 3cmc s ASN 226 Ca 0.08 -0.56 0.00 0.00 0.21 0.00 0.00 52.86 52.59 3cmc s ASN 226 Cb -0.04 0.63 0.00 0.00 -0.55 0.00 0.00 41.25 41.29 3cmc s ASN 226 CO 0.02 -1.18 0.00 0.61 -2.79 0.00 0.00 177.10 173.76 3cmc n GLY 227 N -0.48 -1.25 3.49 1.21 0.00 -1.26 -0.86 105.19 106.04 3cmc n GLY 227 Ca -0.05 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 3cmc n GLY 227 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3cmc s MET 228 N -0.80 1.86 0.26 1.61 0.23 -0.48 -4.73 119.30 117.24 3cmc s MET 228 Ca 0.00 -1.71 0.11 0.00 -1.03 0.00 0.00 55.69 53.06 3cmc s MET 228 Cb 0.00 0.44 -0.05 0.00 -1.53 0.00 0.00 34.83 33.69 3cmc s MET 228 CO 0.00 -0.77 -0.18 0.00 -2.03 0.00 0.00 175.02 172.04 3cmc s ALA 229 N -3.17 2.51 -0.28 3.16 0.00 -0.34 -1.34 121.76 122.30 3cmc s ALA 229 Ca 0.30 -1.81 -0.02 0.00 0.00 0.00 0.00 51.96 50.43 3cmc s ALA 229 Cb -0.00 -0.20 0.09 0.00 0.00 0.00 0.00 23.12 23.01 3cmc s ALA 229 CO 0.19 0.21 0.09 -1.64 0.00 0.00 0.00 175.76 174.61 3cmc s MET 230 N -3.56 0.63 0.15 0.00 -1.94 0.18 -0.93 119.30 113.84 3cmc s MET 230 Ca 0.28 -0.85 -0.30 0.00 -1.71 0.00 0.00 55.69 53.11 3cmc s MET 230 Cb -0.04 -1.88 -0.07 0.00 2.01 0.00 0.00 34.83 34.85 3cmc s MET 230 CO 0.12 -0.92 1.04 1.03 -0.01 0.00 0.00 175.02 176.29 3cmc s ARG 231 N 1.74 4.65 0.25 2.03 1.81 0.35 -0.75 118.95 129.03 3cmc s ARG 231 Ca 0.07 1.61 0.02 0.00 -1.72 0.00 0.00 55.73 55.71 3cmc s ARG 231 Cb -0.17 -3.32 -0.05 0.00 -0.45 0.00 0.00 34.95 30.96 3cmc s ARG 231 CO -0.23 0.15 0.06 0.14 -0.68 0.00 0.00 175.30 174.74 3cmc s VAL 232 N -0.18 0.74 -1.43 3.52 -7.23 -0.36 -0.23 120.40 115.24 3cmc s VAL 232 Ca 0.48 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.56 3cmc s VAL 232 Cb -0.27 -2.54 -0.08 0.00 0.56 0.00 0.00 36.38 34.05 3cmc s VAL 232 CO 0.33 -0.12 2.71 -2.65 -0.31 0.00 0.00 175.10 175.06 3cmc n PRO 233 N -0.46 3.23 -4.33 4.82 -0.02 -1.26 -2.78 135.00 134.21 3cmc n PRO 233 Ca -0.02 -2.01 -0.21 0.00 -2.02 0.00 0.00 63.50 59.24 3cmc n PRO 233 Cb 0.65 -2.72 -0.13 0.00 -0.02 0.00 0.00 33.50 31.29 3cmc n PRO 233 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3cmc s THR 234 N 2.56 1.25 -0.78 3.45 -4.23 -1.26 -5.01 115.64 111.62 3cmc s THR 234 Ca 0.61 -1.17 0.25 0.00 -1.18 0.00 0.00 61.69 60.20 3cmc s THR 234 Cb 0.16 -1.15 0.11 0.00 1.34 0.00 0.00 72.50 72.96 3cmc s THR 234 CO -0.05 -0.04 1.51 -0.81 -0.54 0.00 0.00 174.62 174.69 3cmc n PRO 235 N 1.63 0.19 -3.55 3.99 -0.04 -1.26 -1.13 135.00 134.82 3cmc n PRO 235 Ca -0.19 0.08 -0.09 0.00 -0.04 0.00 0.00 63.50 63.26 3cmc n PRO 235 Cb 0.54 -1.65 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 3cmc n PRO 235 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3cmc s ASN 236 N -3.89 -0.35 0.00 3.54 2.47 -1.26 -4.68 114.94 110.77 3cmc s ASN 236 Ca 0.09 0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.60 3cmc s ASN 236 Cb 0.15 0.32 0.00 0.00 -1.45 0.00 0.00 41.25 40.26 3cmc s ASN 236 CO 0.67 -0.43 0.00 0.52 -3.72 0.00 0.00 177.10 174.14 3cmc n VAL 237 N 0.33 -0.40 -4.18 -5.21 0.31 -1.26 -4.88 118.33 103.04 3cmc n VAL 237 Ca -0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.12 3cmc n VAL 237 Cb 0.59 -0.23 -0.09 0.00 -0.91 0.00 0.00 33.84 33.20 3cmc n VAL 237 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3cmc s SER 238 N -0.58 0.20 -0.11 4.52 0.01 0.22 -3.13 113.70 114.83 3cmc s SER 238 Ca 0.00 -1.36 -0.06 0.00 1.31 0.00 0.00 55.95 55.84 3cmc s SER 238 Cb 0.00 0.41 0.04 0.00 0.21 0.00 0.00 66.02 66.68 3cmc s SER 238 CO 0.00 -0.88 0.26 0.54 0.41 0.00 0.00 173.24 173.56 3cmc s VAL 239 N -4.10 -0.03 -0.10 3.43 0.11 0.01 -0.96 120.40 118.76 3cmc s VAL 239 Ca 0.37 0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 59.40 3cmc s VAL 239 Cb 0.06 -0.39 -0.05 0.00 -1.53 0.00 0.00 36.38 34.47 3cmc s VAL 239 CO 0.12 0.05 0.34 -0.69 -3.33 0.00 0.00 175.10 171.59 3cmc s VAL 240 N 1.06 5.23 -0.30 2.04 1.01 0.49 -1.02 120.40 128.91 3cmc s VAL 240 Ca -0.08 0.66 0.03 0.00 0.00 0.00 0.00 61.98 62.59 3cmc s VAL 240 Cb -0.09 -3.66 0.09 0.00 0.00 0.00 0.00 36.38 32.72 3cmc s VAL 240 CO -0.07 0.47 0.00 -0.62 0.00 0.00 0.00 175.10 174.88 3cmc s ASP 241 N -0.18 4.49 -0.15 3.32 2.15 0.09 -0.90 116.67 125.49 3cmc s ASP 241 Ca 0.20 -1.79 -0.04 0.00 0.43 0.00 0.00 52.55 51.34 3cmc s ASP 241 Cb -0.14 -1.46 -0.03 0.00 -0.30 0.00 0.00 42.92 40.98 3cmc s ASP 241 CO 0.08 -0.32 0.01 -0.22 -0.17 0.00 0.00 175.17 174.55 3cmc s LEU 242 N 1.09 3.54 -0.19 -1.34 2.96 -0.12 -1.37 118.68 123.26 3cmc s LEU 242 Ca 0.04 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 3cmc s LEU 242 Cb -0.19 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.66 3cmc s LEU 242 CO -0.09 0.23 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.31 3cmc s VAL 243 N 0.02 2.27 0.05 1.68 1.01 0.11 -1.31 120.40 124.23 3cmc s VAL 243 Ca 0.03 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3cmc s VAL 243 Cb -0.13 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3cmc s VAL 243 CO 0.02 0.51 -0.09 0.00 0.00 0.00 0.00 175.10 175.54 3cmc s ALA 244 N 1.32 0.69 -0.14 5.51 0.00 -0.27 -0.41 121.76 128.46 3cmc s ALA 244 Ca 0.05 -0.83 -0.14 0.00 0.00 0.00 0.00 51.96 51.04 3cmc s ALA 244 Cb -0.13 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 3cmc s ALA 244 CO -0.11 0.00 0.31 -1.21 0.00 0.00 0.00 175.76 174.75 3cmc s GLU 245 N -1.70 4.21 0.27 0.00 0.41 -0.26 -0.86 118.70 120.77 3cmc s GLU 245 Ca -0.08 0.15 0.08 0.00 -0.41 0.00 0.00 54.97 54.70 3cmc s GLU 245 Cb -0.09 -3.40 -0.04 0.00 -1.78 0.00 0.00 34.13 28.82 3cmc s GLU 245 CO 0.01 0.28 0.16 -0.51 -0.49 0.00 0.00 175.26 174.70 3cmc s LEU 246 N 0.32 3.63 -0.07 1.80 1.43 0.14 -0.44 118.68 125.49 3cmc s LEU 246 Ca 0.18 -0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 52.66 3cmc s LEU 246 Cb -0.13 -2.17 -0.30 0.00 0.03 0.00 0.00 46.19 43.62 3cmc s LEU 246 CO 0.05 -0.07 0.87 -0.33 0.23 0.00 0.00 176.35 177.10 3cmc h GLU 247 N 1.56 0.21 -6.54 1.70 5.08 -0.15 -3.45 114.58 112.99 3cmc h GLU 247 Ca -0.47 -0.36 -0.52 0.00 -1.00 0.00 0.00 59.36 57.01 3cmc h GLU 247 Cb 1.24 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.59 3cmc h GLU 247 CO 0.60 1.16 0.06 0.15 -1.00 0.00 0.00 179.01 179.99 3cmc s LYS 248 N -2.40 4.14 0.19 2.33 1.02 -0.44 -5.05 119.74 119.53 3cmc s LYS 248 Ca -0.15 0.74 -0.30 0.00 0.02 0.00 0.00 55.97 56.28 3cmc s LYS 248 Cb -0.00 -2.80 -0.08 0.00 -0.52 0.00 0.00 37.83 34.42 3cmc s LYS 248 CO 0.79 0.37 1.18 -2.00 -0.92 0.00 0.00 175.35 174.77 3cmc s GLU 249 N -2.17 4.51 0.17 1.68 2.12 -1.26 -4.78 118.70 118.96 3cmc s GLU 249 Ca 0.44 1.86 -0.00 0.00 0.36 0.00 0.00 54.97 57.63 3cmc s GLU 249 Cb -0.15 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 3cmc s GLU 249 CO 0.20 -0.05 0.07 0.14 -0.54 0.00 0.00 175.26 175.08 3cmc s VAL 250 N -0.19 0.22 0.35 3.70 -7.23 0.30 -5.03 120.40 112.51 3cmc s VAL 250 Ca 0.52 -1.95 0.09 0.00 -1.81 0.00 0.00 61.98 58.82 3cmc s VAL 250 Cb -0.32 -2.23 -0.06 0.00 0.56 0.00 0.00 36.38 34.33 3cmc s VAL 250 CO 0.37 -0.30 0.01 0.42 -0.31 0.00 0.00 175.10 175.29 3cmc s THR 251 N -3.98 2.51 0.17 5.32 -4.23 -1.26 -4.29 115.64 109.88 3cmc s THR 251 Ca 0.29 -1.99 -0.14 0.00 -1.18 0.00 0.00 61.69 58.67 3cmc s THR 251 Cb 0.07 -2.80 0.06 0.00 1.34 0.00 0.00 72.50 71.17 3cmc s THR 251 CO 0.06 -0.17 1.77 0.58 -0.54 0.00 0.00 174.62 176.32 3cmc h VAL 252 N 1.81 0.94 -0.93 2.29 2.07 -1.94 -1.89 116.25 118.61 3cmc h VAL 252 Ca -0.43 -0.14 0.13 0.00 0.82 0.00 0.00 66.70 67.08 3cmc h VAL 252 Cb 1.25 0.48 -0.09 0.00 -1.52 0.00 0.00 31.29 31.42 3cmc h VAL 252 CO 0.68 0.08 0.55 -0.33 0.02 0.00 0.00 177.57 178.57 3cmc h GLU 253 N 0.42 0.81 -0.30 1.57 3.07 -1.97 -0.15 114.58 118.02 3cmc h GLU 253 Ca 0.20 -0.05 -0.15 0.00 -0.50 0.00 0.00 59.36 58.86 3cmc h GLU 253 Cb 0.13 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 27.85 3cmc h GLU 253 CO -0.16 0.54 -0.40 0.93 -1.40 0.00 0.00 179.01 178.53 3cmc h GLU 254 N 0.84 0.80 0.16 2.33 5.08 -1.79 -0.16 114.58 121.84 3cmc h GLU 254 Ca 0.48 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3cmc h GLU 254 Cb 0.55 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3cmc h GLU 254 CO -0.30 1.09 -0.08 0.28 -1.00 0.00 0.00 179.01 179.01 3cmc h VAL 255 N 0.57 0.90 -0.86 3.13 2.07 -0.71 -1.21 116.25 120.13 3cmc h VAL 255 Ca 0.04 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3cmc h VAL 255 Cb 0.99 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3cmc h VAL 255 CO 0.09 0.05 0.50 0.78 0.02 0.00 0.00 177.57 179.02 3cmc h ASN 256 N -0.32 1.05 -0.63 0.57 -0.26 -1.04 -1.46 115.58 113.48 3cmc h ASN 256 Ca -0.02 -0.07 -0.06 0.00 -0.56 0.00 0.00 56.30 55.58 3cmc h ASN 256 Cb 0.25 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.22 3cmc h ASN 256 CO 0.04 0.82 0.15 0.00 -1.06 0.00 0.00 177.43 177.38 3cmc h ALA 257 N 1.36 1.03 -0.42 -0.83 0.00 -0.83 0.67 119.26 120.24 3cmc h ALA 257 Ca 0.31 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3cmc h ALA 257 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3cmc h ALA 257 CO -0.05 0.63 -0.22 0.00 0.00 0.00 0.00 179.25 179.61 3cmc h ALA 258 N 1.17 0.59 -0.21 0.00 0.00 -0.83 -0.06 119.26 119.93 3cmc h ALA 258 Ca 0.21 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3cmc h ALA 258 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3cmc h ALA 258 CO 0.00 0.58 0.06 -0.07 0.00 0.00 0.00 179.25 179.82 3cmc h LEU 259 N 0.72 0.30 -0.82 0.00 3.38 -1.04 -1.33 115.31 116.51 3cmc h LEU 259 Ca 0.09 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3cmc h LEU 259 Cb 0.79 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 3cmc h LEU 259 CO 0.06 0.43 0.54 0.50 0.09 0.00 0.00 178.44 180.06 3cmc h LYS 260 N 0.16 1.06 -0.39 1.13 3.64 -0.79 -1.28 116.57 120.09 3cmc h LYS 260 Ca 0.07 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3cmc h LYS 260 Cb 0.24 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3cmc h LYS 260 CO -0.00 0.70 0.23 0.00 -2.27 0.00 0.00 179.45 178.11 3cmc h ALA 261 N 1.31 0.50 -0.61 5.00 0.00 -0.75 -1.42 119.26 123.30 3cmc h ALA 261 Ca 0.31 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3cmc h ALA 261 Cb -0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3cmc h ALA 261 CO -0.08 0.01 0.15 0.00 0.00 0.00 0.00 179.25 179.33 3cmc h ALA 262 N 1.09 1.13 -0.48 0.00 0.00 -0.93 0.41 119.26 120.48 3cmc h ALA 262 Ca 0.14 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3cmc h ALA 262 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3cmc h ALA 262 CO -0.02 0.59 0.01 0.00 0.00 0.00 0.00 179.25 179.83 3cmc h ALA 263 N 1.26 1.12 0.00 0.00 0.00 -0.93 0.11 119.26 120.83 3cmc h ALA 263 Ca 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3cmc h ALA 263 Cb 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3cmc h ALA 263 CO -0.00 0.56 -0.64 0.39 0.00 0.00 0.00 179.25 179.56 3cmc n GLU 264 N -4.22 0.30 0.00 0.00 1.02 -0.56 -2.97 120.64 114.20 3cmc n GLU 264 Ca 0.03 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3cmc n GLU 264 Cb 0.29 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 3cmc n GLU 264 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cmc n GLY 265 N 1.33 1.11 0.42 0.62 0.00 0.11 -4.74 105.19 104.04 3cmc n GLY 265 Ca 0.03 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.29 3cmc n GLY 265 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3cmc h GLU 266 N 0.00 0.34 -0.50 1.61 4.11 -1.77 -1.88 114.58 116.50 3cmc h GLU 266 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3cmc h GLU 266 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3cmc h GLU 266 CO 0.00 0.23 0.00 1.28 0.07 0.00 0.00 179.01 180.59 3cmc n LEU 267 N -4.58 4.05 -4.66 3.06 4.77 0.37 -5.00 117.00 115.00 3cmc n LEU 267 Ca 0.25 -2.41 -0.46 0.00 -0.03 0.00 0.00 56.01 53.36 3cmc n LEU 267 Cb 0.90 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 3cmc n LEU 267 CO 0.27 0.78 1.13 1.17 -1.33 0.00 0.00 177.39 179.41 3cmc n LYS 268 N 0.68 2.06 0.00 3.23 4.81 -0.71 -0.76 118.16 127.46 3cmc n LYS 268 Ca 0.21 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 3cmc n LYS 268 Cb 0.75 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.33 3cmc n LYS 268 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cmc n GLY 269 N 3.03 3.28 0.38 3.14 0.00 -1.26 -4.78 105.19 108.98 3cmc n GLY 269 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 3cmc n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3cmc n ILE 270 N -1.43 1.26 -4.32 -0.61 2.08 0.06 -4.42 119.36 111.98 3cmc n ILE 270 Ca 0.00 -0.01 -0.34 0.00 0.56 0.00 0.00 62.75 62.95 3cmc n ILE 270 Cb 0.00 -1.96 -0.10 0.00 -0.75 0.00 0.00 39.64 36.83 3cmc n ILE 270 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 3cmc s LEU 271 N -7.37 3.50 0.31 1.39 2.96 -0.09 -0.78 118.68 118.59 3cmc s LEU 271 Ca -0.24 0.03 0.06 0.00 -0.22 0.00 0.00 54.13 53.77 3cmc s LEU 271 Cb 0.06 -1.83 -0.06 0.00 0.50 0.00 0.00 46.19 44.86 3cmc s LEU 271 CO 0.32 0.27 -0.03 0.00 -1.32 0.00 0.00 176.35 175.59 3cmc s ALA 272 N -0.22 2.47 -0.04 5.97 0.00 0.11 -4.39 121.76 125.66 3cmc s ALA 272 Ca 0.05 -1.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.01 3cmc s ALA 272 Cb -0.12 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.30 3cmc s ALA 272 CO 0.02 -0.12 0.02 -0.47 0.00 0.00 0.00 175.76 175.21 3cmc s TYR 273 N -3.02 0.34 -0.07 0.00 5.04 -1.26 -0.83 117.35 117.55 3cmc s TYR 273 Ca 0.32 0.03 0.03 0.00 -2.44 0.00 0.00 57.07 55.01 3cmc s TYR 273 Cb 0.05 -0.54 0.00 0.00 0.35 0.00 0.00 41.96 41.83 3cmc s TYR 273 CO 0.14 -0.20 -0.17 0.45 -1.34 0.00 0.00 175.55 174.42 3cmc s SER 274 N 1.62 2.29 -0.15 4.32 0.15 -0.12 -4.91 113.70 116.91 3cmc s SER 274 Ca -0.01 -0.40 0.16 0.00 0.70 0.00 0.00 55.95 56.40 3cmc s SER 274 Cb -0.13 -0.95 0.60 0.00 -1.71 0.00 0.00 66.02 63.83 3cmc s SER 274 CO -0.03 0.10 1.51 -0.62 1.20 0.00 0.00 173.24 175.40 3cmc n GLU 275 N 3.55 3.49 -3.59 5.44 1.02 -1.26 -0.65 120.64 128.65 3cmc n GLU 275 Ca -0.21 -2.79 -0.34 0.00 -0.02 0.00 0.00 57.16 53.81 3cmc n GLU 275 Cb 0.52 -1.84 -0.05 0.00 -0.02 0.00 0.00 31.44 30.05 3cmc n GLU 275 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3cmc s GLU 276 N -2.28 3.73 -1.28 3.49 0.41 -1.26 -4.80 118.70 116.70 3cmc s GLU 276 Ca 0.44 0.12 -0.13 0.00 -0.41 0.00 0.00 54.97 54.99 3cmc s GLU 276 Cb 0.32 -2.95 0.13 0.00 -1.78 0.00 0.00 34.13 29.85 3cmc s GLU 276 CO 0.15 0.53 1.73 -0.35 -0.49 0.00 0.00 175.26 176.83 3cmc n PRO 277 N 0.71 3.34 -2.80 0.39 -0.04 -1.26 -4.85 135.00 130.48 3cmc n PRO 277 Ca -0.07 -3.48 -0.20 0.00 -0.04 0.00 0.00 63.50 59.72 3cmc n PRO 277 Cb 0.52 -3.13 0.04 0.00 -0.04 0.00 0.00 33.50 30.89 3cmc n PRO 277 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3cmc s LEU 278 N 1.71 3.33 0.28 1.53 1.43 -1.26 -5.13 118.68 120.57 3cmc s LEU 278 Ca 0.45 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.28 3cmc s LEU 278 Cb 0.04 -2.51 -0.06 0.00 0.03 0.00 0.00 46.19 43.69 3cmc s LEU 278 CO 0.01 -1.14 0.02 0.68 0.23 0.00 0.00 176.35 176.14 3cmc s VAL 279 N -2.67 1.14 0.29 -1.59 -7.23 -1.26 -5.05 120.40 104.04 3cmc s VAL 279 Ca 0.58 -2.03 0.04 0.00 -1.81 0.00 0.00 61.98 58.77 3cmc s VAL 279 Cb -0.09 -2.57 0.29 0.00 0.56 0.00 0.00 36.38 34.57 3cmc s VAL 279 CO 0.38 -0.16 1.71 0.77 -0.31 0.00 0.00 175.10 177.49 3cmc h SER 280 N 2.29 0.44 -0.06 4.85 4.64 -1.97 -0.53 113.55 123.21 3cmc h SER 280 Ca -0.40 0.14 0.02 0.00 -0.47 0.00 0.00 61.79 61.08 3cmc h SER 280 Cb 1.24 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3cmc h SER 280 CO 0.67 0.06 0.05 0.03 -0.87 0.00 0.00 176.83 176.77 3cmc h ARG 281 N 0.48 0.00 0.00 4.77 2.47 -1.97 -0.48 114.38 119.64 3cmc h ARG 281 Ca 0.57 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.28 3cmc h ARG 281 Cb 1.04 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.36 3cmc h ARG 281 CO -0.49 0.00 -0.01 -0.44 0.56 0.00 0.00 179.97 179.59 3cmc h ASP 282 N 0.00 0.00 -0.32 7.04 3.32 -1.50 -2.05 116.42 122.91 3cmc h ASP 282 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3cmc h ASP 282 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3cmc h ASP 282 CO -0.00 0.01 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 3cmc n TYR 283 N -3.10 0.41 -2.08 4.55 4.01 -0.19 -4.88 117.16 115.86 3cmc n TYR 283 Ca -0.00 -0.20 -0.42 0.00 -0.16 0.00 0.00 57.90 57.11 3cmc n TYR 283 Cb 0.24 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.25 3cmc n TYR 283 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3cmc s ASN 284 N -1.58 6.72 0.00 7.72 2.47 -0.77 -1.49 114.94 128.01 3cmc s ASN 284 Ca 0.37 2.14 0.00 0.00 0.42 0.00 0.00 52.86 55.79 3cmc s ASN 284 Cb 0.22 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.49 3cmc s ASN 284 CO 0.31 -0.89 0.00 0.61 -3.72 0.00 0.00 177.10 173.41 3cmc n GLY 285 N 4.02 0.60 3.72 1.21 0.00 -1.26 -5.06 105.19 108.43 3cmc n GLY 285 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3cmc n GLY 285 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cmc s SER 286 N -2.87 6.48 0.00 1.61 0.15 -0.55 -4.91 113.70 113.60 3cmc s SER 286 Ca 0.00 2.75 0.22 0.00 0.70 0.00 0.00 55.95 59.62 3cmc s SER 286 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 3cmc s SER 286 CO 0.00 -0.90 1.07 0.35 1.20 0.00 0.00 173.24 174.96 3cmc n THR 287 N 3.95 0.00 -1.41 6.45 -2.24 -1.26 -3.06 114.28 116.71 3cmc n THR 287 Ca 0.15 -0.03 -0.30 0.00 -2.27 0.00 0.00 64.05 61.60 3cmc n THR 287 Cb 0.37 0.83 0.12 0.00 -2.10 0.00 0.00 70.33 69.55 3cmc n THR 287 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3cmc s VAL 288 N -2.92 2.66 -0.17 2.28 -7.23 -1.26 -4.47 120.40 109.29 3cmc s VAL 288 Ca 0.11 0.21 0.17 0.00 -1.81 0.00 0.00 61.98 60.66 3cmc s VAL 288 Cb 0.17 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 34.25 3cmc s VAL 288 CO 0.78 -0.28 1.19 0.28 -0.31 0.00 0.00 175.10 176.76 3cmc h SER 289 N -1.38 0.00 -2.58 4.85 0.02 -1.17 -3.39 113.55 109.90 3cmc h SER 289 Ca -0.49 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.52 3cmc h SER 289 Cb 1.29 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.61 3cmc h SER 289 CO 0.58 0.44 0.08 -0.55 -1.14 0.00 0.00 176.83 176.24 3cmc s SER 290 N -6.07 -0.87 -0.20 3.07 0.15 -0.92 -3.62 113.70 105.23 3cmc s SER 290 Ca 0.01 1.34 0.01 0.00 0.70 0.00 0.00 55.95 58.01 3cmc s SER 290 Cb 0.08 1.55 0.04 0.00 -1.71 0.00 0.00 66.02 65.98 3cmc s SER 290 CO 0.77 -0.20 -0.09 -0.89 1.20 0.00 0.00 173.24 174.02 3cmc s THR 291 N 1.88 1.58 0.16 6.45 2.01 -0.35 0.09 115.64 127.45 3cmc s THR 291 Ca -0.09 -0.98 -0.31 0.00 0.31 0.00 0.00 61.69 60.62 3cmc s THR 291 Cb -0.06 -1.67 -0.10 0.00 0.01 0.00 0.00 72.50 70.68 3cmc s THR 291 CO -0.19 0.15 1.52 -0.63 -0.69 0.00 0.00 174.62 174.79 3cmc s ILE 292 N 1.42 2.76 -0.95 1.82 -1.09 -0.01 -0.34 121.20 124.81 3cmc s ILE 292 Ca -0.01 0.55 -0.16 0.00 -2.23 0.00 0.00 60.65 58.79 3cmc s ILE 292 Cb -0.16 -3.35 0.17 0.00 -1.58 0.00 0.00 42.46 37.53 3cmc s ILE 292 CO -0.08 0.05 1.07 -0.62 -1.23 0.00 0.00 174.94 174.13 3cmc s ASP 293 N 1.08 6.75 0.50 3.58 -1.08 0.78 -0.95 116.67 127.33 3cmc s ASP 293 Ca 0.68 -2.40 0.16 0.00 -0.52 0.00 0.00 52.55 50.47 3cmc s ASP 293 Cb -0.42 -2.34 1.20 0.00 -1.46 0.00 0.00 42.92 39.89 3cmc s ASP 293 CO 0.32 -0.86 2.10 0.00 0.52 0.00 0.00 175.17 177.24 3cmc h ALA 294 N 8.26 2.02 0.00 3.66 0.00 -1.16 -1.35 119.26 130.69 3cmc h ALA 294 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3cmc h ALA 294 Cb 1.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3cmc h ALA 294 CO 1.03 -0.05 -0.09 -0.07 0.00 0.00 0.00 179.25 180.06 3cmc h LEU 295 N 0.13 0.00 0.00 0.00 3.38 -1.87 -2.76 115.31 114.19 3cmc h LEU 295 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3cmc h LEU 295 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3cmc h LEU 295 CO -0.01 0.09 -0.45 -1.20 0.09 0.00 0.00 178.44 176.96 3cmc n SER 296 N -3.50 0.67 -4.68 -0.43 7.64 -0.51 -4.91 113.62 107.90 3cmc n SER 296 Ca -0.02 0.20 -0.45 0.00 1.01 0.00 0.00 58.87 59.61 3cmc n SER 296 Cb 0.23 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.33 3cmc n SER 296 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3cmc n THR 297 N -2.05 0.21 -3.98 0.44 -1.04 -1.04 -4.80 114.28 102.01 3cmc n THR 297 Ca 0.04 -0.05 -0.09 0.00 -2.04 0.00 0.00 64.05 61.91 3cmc n THR 297 Cb 0.42 -1.60 -0.10 0.00 -1.82 0.00 0.00 70.33 67.24 3cmc n THR 297 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cmc s MET 298 N 0.65 0.50 0.02 -2.82 0.23 -1.03 -4.99 119.30 111.86 3cmc s MET 298 Ca 0.76 -0.80 0.02 0.00 -1.03 0.00 0.00 55.69 54.64 3cmc s MET 298 Cb -0.65 0.18 -0.02 0.00 -1.53 0.00 0.00 34.83 32.82 3cmc s MET 298 CO 0.40 -0.10 -0.08 0.08 -2.03 0.00 0.00 175.02 173.29 3cmc s VAL 299 N -2.48 0.57 -0.06 5.16 1.01 -1.26 -1.06 120.40 122.27 3cmc s VAL 299 Ca -0.06 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.20 3cmc s VAL 299 Cb -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.79 3cmc s VAL 299 CO -0.04 -0.15 -0.17 -0.63 0.00 0.00 0.00 175.10 174.10 3cmc s ILE 300 N -0.85 1.47 -1.86 2.22 1.01 0.19 -4.75 121.20 118.62 3cmc s ILE 300 Ca -0.04 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3cmc s ILE 300 Cb -0.07 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.13 3cmc s ILE 300 CO 0.00 0.42 0.00 0.47 0.00 0.00 0.00 174.94 175.84 3cmc n ASP 301 N 3.35 -4.89 0.00 3.58 8.00 -1.26 -1.58 116.55 123.74 3cmc n ASP 301 Ca -0.19 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.68 3cmc n ASP 301 Cb 0.53 -4.32 0.00 0.00 -0.02 0.00 0.00 41.12 37.31 3cmc n ASP 301 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cmc n GLY 302 N -0.46 0.05 0.00 0.44 0.00 -1.26 -4.71 105.19 99.25 3cmc n GLY 302 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3cmc n GLY 302 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cmc n LYS 303 N -0.47 3.65 -3.80 1.61 4.76 -0.62 -0.54 118.16 122.75 3cmc n LYS 303 Ca 0.00 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.08 3cmc n LYS 303 Cb 0.26 -0.97 -0.10 0.00 -1.84 0.00 0.00 35.03 32.38 3cmc n LYS 303 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 3cmc s MET 304 N -1.94 3.96 0.06 1.97 1.75 -0.67 -0.69 119.30 123.75 3cmc s MET 304 Ca 0.00 -0.34 0.08 0.00 -1.25 0.00 0.00 55.69 54.18 3cmc s MET 304 Cb 0.00 -3.39 -0.03 0.00 2.84 0.00 0.00 34.83 34.25 3cmc s MET 304 CO 0.00 0.08 -0.21 0.54 -0.65 0.00 0.00 175.02 174.78 3cmc s VAL 305 N 0.94 1.69 -0.14 10.11 0.11 -0.04 -0.64 120.40 132.43 3cmc s VAL 305 Ca 0.06 -1.31 0.00 0.00 -2.93 0.00 0.00 61.98 57.81 3cmc s VAL 305 Cb -0.13 -1.49 -0.01 0.00 -1.53 0.00 0.00 36.38 33.22 3cmc s VAL 305 CO 0.03 0.13 -0.15 -0.75 -3.33 0.00 0.00 175.10 171.03 3cmc s LYS 306 N -1.40 3.25 -0.06 1.54 2.20 -0.23 -1.11 119.74 123.93 3cmc s LYS 306 Ca 0.07 -0.74 0.03 0.00 -0.36 0.00 0.00 55.97 54.97 3cmc s LYS 306 Cb -0.09 -2.60 0.01 0.00 -1.51 0.00 0.00 37.83 33.64 3cmc s LYS 306 CO 0.03 0.09 -0.16 0.08 -0.36 0.00 0.00 175.35 175.03 3cmc s VAL 307 N 0.64 1.38 -0.07 4.02 1.01 -0.43 -2.47 120.40 124.49 3cmc s VAL 307 Ca -0.08 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.30 3cmc s VAL 307 Cb -0.16 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3cmc s VAL 307 CO 0.03 0.41 -0.20 -0.69 0.00 0.00 0.00 175.10 174.65 3cmc s VAL 308 N 0.42 2.53 -0.04 2.92 1.01 -1.26 -0.95 120.40 125.03 3cmc s VAL 308 Ca -0.12 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 3cmc s VAL 308 Cb -0.15 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.29 3cmc s VAL 308 CO 0.04 0.57 0.09 -0.55 0.00 0.00 0.00 175.10 175.25 3cmc s SER 309 N -0.25 -0.06 0.40 3.32 0.15 -0.08 -0.16 113.70 117.02 3cmc s SER 309 Ca 0.00 0.19 -0.11 0.00 0.70 0.00 0.00 55.95 56.73 3cmc s SER 309 Cb -0.13 0.12 -0.07 0.00 -1.71 0.00 0.00 66.02 64.23 3cmc s SER 309 CO 0.03 -0.10 0.77 0.26 1.20 0.00 0.00 173.24 175.40 3cmc s TRP 310 N 0.71 3.46 -0.25 3.44 0.52 0.54 -0.38 118.94 126.98 3cmc s TRP 310 Ca -0.06 1.06 -0.20 0.00 0.02 0.00 0.00 56.10 56.93 3cmc s TRP 310 Cb -0.08 -2.45 0.07 0.00 -1.15 0.00 0.00 33.47 29.86 3cmc s TRP 310 CO -0.03 -0.09 0.64 1.52 0.02 0.00 0.00 176.95 179.01 3cmc s TYR 311 N -2.33 -0.79 -0.58 -1.98 -0.85 -0.14 -1.21 117.35 109.47 3cmc s TYR 311 Ca 0.52 1.79 -0.27 0.00 -0.52 0.00 0.00 57.07 58.59 3cmc s TYR 311 Cb -0.10 0.34 0.03 0.00 0.38 0.00 0.00 41.96 42.61 3cmc s TYR 311 CO 0.30 -0.39 1.13 0.34 -1.52 0.00 0.00 175.55 175.41 3cmc s ASP 312 N 0.75 6.40 0.50 -0.18 -1.08 -1.26 -0.61 116.67 121.19 3cmc s ASP 312 Ca -0.03 -0.05 0.21 0.00 -0.52 0.00 0.00 52.55 52.16 3cmc s ASP 312 Cb -0.05 -2.52 1.31 0.00 -1.46 0.00 0.00 42.92 40.20 3cmc s ASP 312 CO -0.05 -1.44 2.07 -0.55 0.52 0.00 0.00 175.17 175.72 3cmc h ASN 313 N 9.51 0.00 0.00 -0.34 -1.07 -1.90 -1.06 115.58 120.72 3cmc h ASN 313 Ca -0.25 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.04 3cmc h ASN 313 Cb 1.06 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.30 3cmc h ASN 313 CO 1.17 0.12 -0.42 -0.33 0.07 0.00 0.00 177.43 178.03 3cmc h GLU 314 N 0.00 0.00 0.02 4.14 5.08 -1.95 -3.38 114.58 118.49 3cmc h GLU 314 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3cmc h GLU 314 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3cmc h GLU 314 CO 0.02 0.87 -0.01 1.15 -1.00 0.00 0.00 179.01 180.03 3cmc h THR 315 N -1.00 1.45 -0.14 1.13 2.02 -1.80 -2.41 112.91 112.16 3cmc h THR 315 Ca -0.11 -1.67 0.01 0.00 0.77 0.00 0.00 66.41 65.41 3cmc h THR 315 Cb 0.99 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.93 3cmc h THR 315 CO -0.07 0.41 0.07 1.23 0.37 0.00 0.00 175.52 177.54 3cmc h GLY 316 N -0.78 0.18 1.01 2.16 0.00 -1.11 -0.83 103.07 103.70 3cmc h GLY 316 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3cmc h GLY 316 CO 0.01 0.05 0.48 -1.82 0.00 0.00 0.00 176.54 175.25 3cmc h TYR 317 N 0.15 1.07 -0.36 5.60 3.20 -1.69 -1.07 116.97 123.89 3cmc h TYR 317 Ca 0.06 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 3cmc h TYR 317 Cb 0.01 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 37.91 3cmc h TYR 317 CO -0.09 0.72 -0.13 0.77 -1.64 0.00 0.00 178.16 177.80 3cmc h SER 318 N 1.11 0.61 -0.01 -2.11 0.02 -1.07 -0.32 113.55 111.79 3cmc h SER 318 Ca 0.29 -0.17 -0.11 0.00 -0.84 0.00 0.00 61.79 60.95 3cmc h SER 318 Cb -0.03 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3cmc h SER 318 CO -0.05 0.77 -0.33 0.45 -1.14 0.00 0.00 176.83 176.52 3cmc h HIS 319 N 0.57 0.55 -0.41 3.45 3.86 -0.67 -1.93 115.15 120.57 3cmc h HIS 319 Ca 0.10 -0.14 -0.10 0.00 -1.16 0.00 0.00 60.37 59.07 3cmc h HIS 319 Cb 0.55 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 3cmc h HIS 319 CO 0.02 0.76 -0.16 0.00 0.86 0.00 0.00 177.93 179.41 3cmc h ARG 320 N 0.41 0.77 -0.28 2.45 2.47 -0.49 0.84 114.38 120.55 3cmc h ARG 320 Ca 0.05 -0.28 0.02 0.00 -1.26 0.00 0.00 59.98 58.51 3cmc h ARG 320 Cb 0.78 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.02 3cmc h ARG 320 CO 0.06 0.89 0.11 0.28 0.56 0.00 0.00 179.97 181.88 3cmc h VAL 321 N 0.69 0.96 -0.68 2.04 2.07 -0.69 0.36 116.25 120.99 3cmc h VAL 321 Ca 0.11 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3cmc h VAL 321 Cb 0.66 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3cmc h VAL 321 CO 0.05 0.05 0.41 0.58 0.02 0.00 0.00 177.57 178.67 3cmc h VAL 322 N 0.25 1.20 -0.67 2.57 2.07 -0.89 0.64 116.25 121.41 3cmc h VAL 322 Ca 0.12 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3cmc h VAL 322 Cb 0.07 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 3cmc h VAL 322 CO -0.10 0.20 0.35 0.44 0.02 0.00 0.00 177.57 178.48 3cmc h ASP 323 N 0.93 0.86 -0.52 0.57 3.32 -0.24 -0.48 116.42 120.86 3cmc h ASP 323 Ca 0.25 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 3cmc h ASP 323 Cb -0.03 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3cmc h ASP 323 CO -0.05 0.72 -0.10 0.25 -1.72 0.00 0.00 179.24 178.35 3cmc h LEU 324 N 0.93 1.00 -0.60 1.55 5.85 0.05 -0.12 115.31 123.96 3cmc h LEU 324 Ca 0.24 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 3cmc h LEU 324 Cb 0.07 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3cmc h LEU 324 CO -0.04 1.10 0.26 0.00 -0.34 0.00 0.00 178.44 179.43 3cmc h ALA 325 N 0.98 0.78 -0.59 1.25 0.00 -0.45 0.43 119.26 121.66 3cmc h ALA 325 Ca 0.14 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3cmc h ALA 325 Cb 0.66 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3cmc h ALA 325 CO 0.05 0.37 0.05 0.00 0.00 0.00 0.00 179.25 179.72 3cmc h ALA 326 N 1.10 0.97 -0.11 0.00 0.00 -0.94 -0.64 119.26 119.65 3cmc h ALA 326 Ca 0.20 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3cmc h ALA 326 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3cmc h ALA 326 CO -0.02 0.64 0.06 -0.92 0.00 0.00 0.00 179.25 179.00 3cmc h TYR 327 N 0.92 0.15 -0.51 0.00 3.20 -0.67 -0.92 116.97 119.14 3cmc h TYR 327 Ca 0.18 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.07 3cmc h TYR 327 Cb 0.47 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 3cmc h TYR 327 CO 0.03 0.19 0.31 0.82 -1.64 0.00 0.00 178.16 177.86 3cmc h ILE 328 N 0.07 1.05 -0.52 1.81 2.04 -0.78 -1.86 117.51 119.33 3cmc h ILE 328 Ca 0.04 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 3cmc h ILE 328 Cb 0.09 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 3cmc h ILE 328 CO -0.01 0.11 0.29 0.00 0.00 0.00 0.00 178.15 178.55 3cmc h ALA 329 N 1.23 1.54 0.00 1.87 0.00 -0.91 -2.23 119.26 120.75 3cmc h ALA 329 Ca 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3cmc h ALA 329 Cb 0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3cmc h ALA 329 CO -0.09 0.39 -0.07 0.66 0.00 0.00 0.00 179.25 180.14 3cmc h SER 330 N 0.72 0.00 0.01 0.00 4.64 -0.33 -2.35 113.55 116.24 3cmc h SER 330 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3cmc h SER 330 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3cmc h SER 330 CO -0.03 0.07 -0.05 0.29 -0.87 0.00 0.00 176.83 176.24 3cmc n LYS 331 N -3.29 1.69 0.00 4.77 4.76 -0.84 -5.03 118.16 120.22 3cmc n LYS 331 Ca -0.01 -1.12 0.00 0.00 -2.87 0.00 0.00 58.31 54.31 3cmc n LYS 331 Cb 0.26 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 3cmc n LYS 331 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cmc n GLY 332 N 1.24 1.70 0.00 0.72 0.00 -0.89 -4.84 105.19 103.12 3cmc n GLY 332 Ca 0.17 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3cmc n GLY 332 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36