#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fml n ALA 5 N 0.00 2.80 -3.00 4.37 0.00 -1.26 -5.01 120.51 118.41 2fml n ALA 5 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2fml n ALA 5 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.15 2fml n ALA 5 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2fml n SER 6 N -1.82 0.00 -0.14 0.00 3.41 -1.26 -5.08 113.62 108.73 2fml n SER 6 Ca 0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.54 2fml n SER 6 Cb 0.38 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 2fml n SER 6 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2fml h LYS 7 N 0.00 0.87 -0.84 4.33 1.57 -2.01 -3.42 116.57 117.07 2fml h LYS 7 Ca 0.00 -0.38 -0.11 0.00 -1.87 0.00 0.00 60.65 58.29 2fml h LYS 7 Cb 0.00 -0.02 -0.16 0.00 0.08 0.00 0.00 32.23 32.13 2fml h LYS 7 CO 0.00 1.03 -0.42 0.00 -0.57 0.00 0.00 179.45 179.49 2fml s ALA 8 N -4.62 -2.59 0.00 3.86 0.00 -1.26 -2.69 121.76 114.46 2fml s ALA 8 Ca -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2fml s ALA 8 Cb 0.11 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.45 2fml s ALA 8 CO 0.85 -2.29 0.00 -1.91 0.00 0.00 0.00 175.76 172.40 2fml n GLU 9 N 3.03 0.00 0.00 0.00 4.07 -1.26 -4.65 120.64 121.83 2fml n GLU 9 Ca 0.16 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.26 2fml n GLU 9 Cb 0.58 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.96 2fml n GLU 9 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2fml n GLU 10 N 0.00 0.00 -0.34 5.31 0.00 -1.26 -2.24 120.64 122.11 2fml n GLU 10 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.23 2fml n GLU 10 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 31.44 31.61 2fml n GLU 10 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2fml h LYS 11 N 0.00 0.01 -0.32 5.31 3.64 -1.80 -1.39 116.57 122.02 2fml h LYS 11 Ca 0.00 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2fml h LYS 11 Cb 0.00 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2fml h LYS 11 CO 0.00 0.00 0.08 -0.97 -2.27 0.00 0.00 179.45 176.30 2fml h ASN 12 N 0.01 0.48 -0.65 4.20 -0.73 -1.82 -2.55 115.58 114.52 2fml h ASN 12 Ca 0.49 -0.23 0.08 0.00 1.87 0.00 0.00 56.30 58.51 2fml h ASN 12 Cb 0.82 -0.13 -0.07 0.00 0.27 0.00 0.00 38.32 39.22 2fml h ASN 12 CO -0.95 0.58 0.31 0.22 -0.37 0.00 0.00 177.43 177.22 2fml h TYR 13 N 0.36 0.55 -0.20 0.67 5.03 -0.81 -2.00 116.97 120.57 2fml h TYR 13 Ca 0.10 0.03 -0.19 0.00 2.58 0.00 0.00 58.73 61.25 2fml h TYR 13 Cb 0.28 -0.15 0.01 0.00 1.55 0.00 0.00 36.73 38.42 2fml h TYR 13 CO 0.01 0.20 -0.62 1.88 -1.32 0.00 0.00 178.16 178.32 2fml h TYR 14 N 0.54 1.02 -0.46 -3.82 -1.99 -1.36 -0.10 116.97 110.81 2fml h TYR 14 Ca 0.31 -0.41 -0.12 0.00 2.00 0.00 0.00 58.73 60.52 2fml h TYR 14 Cb 0.32 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 2fml h TYR 14 CO -0.12 1.23 -0.18 0.93 -0.00 0.00 0.00 178.16 180.02 2fml h GLU 15 N 0.52 0.89 0.00 4.88 5.08 -1.48 -3.33 114.58 121.14 2fml h GLU 15 Ca -0.02 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 2fml h GLU 15 Cb 1.24 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2fml h GLU 15 CO 0.13 1.00 -1.37 0.54 -1.00 0.00 0.00 179.01 178.31 2fml n ARG 16 N -4.12 1.48 -0.01 2.33 1.74 -0.75 -4.76 116.66 112.57 2fml n ARG 16 Ca 0.01 -0.03 -0.01 0.00 -0.77 0.00 0.00 57.85 57.04 2fml n ARG 16 Cb 0.42 -1.16 -0.01 0.00 -1.02 0.00 0.00 32.46 30.69 2fml n ARG 16 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2fml n GLN 17 N -1.96 3.49 -1.85 5.56 6.02 -0.38 -5.06 117.38 123.19 2fml n GLN 17 Ca -0.05 -0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.63 2fml n GLN 17 Cb 0.42 -1.04 0.05 0.00 1.02 0.00 0.00 30.24 30.69 2fml n GLN 17 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2fml s ALA 18 N -2.05 2.83 0.80 -1.58 0.00 -0.19 -5.02 121.76 116.56 2fml s ALA 18 Ca -0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 2fml s ALA 18 Cb 0.01 -3.04 0.08 0.00 0.00 0.00 0.00 23.12 20.17 2fml s ALA 18 CO 0.07 -1.20 1.11 -1.54 0.00 0.00 0.00 175.76 174.20 2fml s SER 19 N -4.30 4.12 0.14 0.00 1.04 -1.26 -4.81 113.70 108.63 2fml s SER 19 Ca 0.58 1.92 -0.23 0.00 0.48 0.00 0.00 55.95 58.70 2fml s SER 19 Cb -0.11 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2fml s SER 19 CO 0.52 -2.29 1.63 0.25 0.98 0.00 0.00 173.24 174.33 2fml h LEU 20 N -1.28 -0.79 -0.74 2.42 5.85 -1.96 -0.48 115.31 118.33 2fml h LEU 20 Ca -0.43 0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.50 2fml h LEU 20 Cb 1.24 0.36 -0.07 0.00 0.37 0.00 0.00 40.66 42.56 2fml h LEU 20 CO 0.49 -0.29 0.41 0.00 -0.34 0.00 0.00 178.44 178.70 2fml h ALA 21 N 0.68 1.02 -0.40 1.25 0.00 -1.99 -0.50 119.26 119.32 2fml h ALA 21 Ca 0.12 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2fml h ALA 21 Cb 0.47 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2fml h ALA 21 CO -0.35 0.05 0.11 1.49 0.00 0.00 0.00 179.25 180.56 2fml h GLU 22 N 0.71 0.63 -0.40 0.00 4.81 -1.90 -1.63 114.58 116.80 2fml h GLU 22 Ca 0.35 -0.14 0.08 0.00 -0.13 0.00 0.00 59.36 59.52 2fml h GLU 22 Cb 0.29 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.50 2fml h GLU 22 CO -0.23 0.64 -0.11 0.35 -0.73 0.00 0.00 179.01 178.93 2fml h PHE 23 N 0.50 -0.25 -0.33 0.92 3.04 -0.56 -2.29 116.94 117.97 2fml h PHE 23 Ca 0.13 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 61.97 2fml h PHE 23 Cb 0.29 0.17 -0.00 0.00 2.56 0.00 0.00 35.95 38.96 2fml h PHE 23 CO 0.01 -0.19 -0.37 -0.07 -2.02 0.00 0.00 178.31 175.67 2fml h LEU 24 N -0.02 0.90 -0.21 0.59 3.38 -1.03 0.16 115.31 119.08 2fml h LEU 24 Ca 0.19 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.74 2fml h LEU 24 Cb 0.31 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 2fml h LEU 24 CO -0.43 1.20 -0.15 0.74 0.09 0.00 0.00 178.44 179.90 2fml h THR 25 N 0.63 0.57 -0.35 0.22 2.02 -1.32 -1.02 112.91 113.66 2fml h THR 25 Ca 0.05 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 2fml h THR 25 Cb 0.96 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2fml h THR 25 CO 0.09 0.00 0.12 -0.25 0.37 0.00 0.00 175.52 175.85 2fml h TRP 26 N -0.14 0.55 -0.37 3.16 7.01 -1.23 -2.53 115.95 122.40 2fml h TRP 26 Ca 0.12 -0.05 0.08 0.00 2.11 0.00 0.00 58.89 61.15 2fml h TRP 26 Cb 0.33 -0.16 -0.08 0.00 -2.10 0.00 0.00 29.16 27.15 2fml h TRP 26 CO -0.31 0.53 -0.16 -0.92 -2.79 0.00 0.00 178.44 174.80 2fml h TYR 27 N 0.41 -0.38 0.00 2.65 5.03 -0.56 -2.13 116.97 122.00 2fml h TYR 27 Ca 0.11 0.04 -0.07 0.00 2.58 0.00 0.00 58.73 61.39 2fml h TYR 27 Cb 0.23 0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 2fml h TYR 27 CO 0.00 -0.24 -0.35 0.45 -1.32 0.00 0.00 178.16 176.71 2fml h HIS 28 N -0.09 0.00 0.00 -3.82 3.86 -1.17 -2.72 115.15 111.21 2fml h HIS 28 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2fml h HIS 28 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 2fml h HIS 28 CO -0.39 0.35 0.00 0.00 0.86 0.00 0.00 177.93 178.75 2fml n GLN 29 N -4.11 0.04 0.00 2.45 -0.00 -0.83 -5.11 117.38 109.82 2fml n GLN 29 Ca -0.02 0.03 0.00 0.00 -0.00 0.00 0.00 57.00 57.01 2fml n GLN 29 Cb 0.39 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.13 2fml n GLN 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2fml n GLN 30 N -1.48 0.00 0.00 2.61 10.64 -1.01 -5.10 117.38 123.04 2fml n GLN 30 Ca 0.07 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 2fml n GLN 30 Cb 0.31 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.69 2fml n GLN 30 CO 0.00 0.00 0.00 2.48 -1.83 0.00 0.00 177.06 177.71 2fml n TYR 35 N -0.46 0.00 -0.73 2.61 0.18 -1.26 -4.66 117.16 112.85 2fml n TYR 35 Ca 0.00 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.46 2fml n TYR 35 Cb 0.00 0.00 0.15 0.00 -0.38 0.00 0.00 39.34 39.11 2fml n TYR 35 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 2fml n GLU 36 N 0.00 -0.70 -4.16 -3.48 2.13 -1.26 -5.08 120.64 108.09 2fml n GLU 36 Ca 0.00 -0.16 -0.18 0.00 0.66 0.00 0.00 57.16 57.48 2fml n GLU 36 Cb 0.00 -1.96 -0.15 0.00 0.27 0.00 0.00 31.44 29.59 2fml n GLU 36 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2fml s LYS 37 N -3.87 0.62 0.55 5.31 1.02 -1.26 -5.15 119.74 116.95 2fml s LYS 37 Ca 0.60 -0.14 -0.09 0.00 0.02 0.00 0.00 55.97 56.36 2fml s LYS 37 Cb -0.20 -0.63 -0.04 0.00 -0.52 0.00 0.00 37.83 36.43 2fml s LYS 37 CO 0.65 0.01 0.91 -1.25 -0.92 0.00 0.00 175.35 174.76 2fml s PRO 38 N 0.43 3.59 0.29 -1.68 0.04 -1.26 -4.94 135.00 131.48 2fml s PRO 38 Ca -0.05 0.51 -0.29 0.00 0.04 0.00 0.00 61.00 61.20 2fml s PRO 38 Cb -0.09 -2.22 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 2fml s PRO 38 CO -0.00 -0.38 1.25 -1.12 0.04 0.00 0.00 177.00 176.79 2fml s SER 39 N -4.07 6.93 -0.19 6.66 0.01 0.10 -4.88 113.70 118.26 2fml s SER 39 Ca 0.52 2.52 -0.03 0.00 1.31 0.00 0.00 55.95 60.27 2fml s SER 39 Cb -0.11 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.48 2fml s SER 39 CO 0.48 -0.43 -0.08 -0.22 0.41 0.00 0.00 173.24 173.41 2fml s LEU 40 N -1.33 2.81 0.35 2.44 2.96 -1.26 -1.34 118.68 123.30 2fml s LEU 40 Ca 0.49 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 2fml s LEU 40 Cb -0.37 -1.69 -0.06 0.00 0.50 0.00 0.00 46.19 44.57 2fml s LEU 40 CO 0.47 0.03 0.06 0.42 -1.32 0.00 0.00 176.35 176.02 2fml s THR 41 N 1.14 1.14 0.08 3.68 -4.23 -0.36 -1.52 115.64 115.57 2fml s THR 41 Ca 0.01 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.61 2fml s THR 41 Cb -0.14 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.94 2fml s THR 41 CO -0.02 0.00 -0.24 0.68 -0.54 0.00 0.00 174.62 174.50 2fml s VAL 42 N -3.25 1.96 0.00 2.29 -7.23 0.64 -1.24 120.40 113.57 2fml s VAL 42 Ca 0.34 -1.45 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 2fml s VAL 42 Cb 0.08 -1.72 0.00 0.00 0.56 0.00 0.00 36.38 35.30 2fml s VAL 42 CO 0.15 0.18 0.00 0.47 -0.31 0.00 0.00 175.10 175.59 2fml n ASP 43 N 1.47 1.31 -3.51 4.85 8.00 -1.16 -0.95 116.55 126.55 2fml n ASP 43 Ca -0.18 -0.95 -0.26 0.00 0.71 0.00 0.00 54.79 54.11 2fml n ASP 43 Cb 0.53 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.49 2fml n ASP 43 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2fml s VAL 45 N -1.26 -0.15 -0.29 2.53 1.01 -0.05 -1.59 120.40 120.59 2fml s VAL 45 Ca 0.00 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 2fml s VAL 45 Cb 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 2fml s VAL 45 CO 0.00 -0.65 0.42 -0.76 0.00 0.00 0.00 175.10 174.11 2fml s LEU 46 N 2.16 4.16 -0.13 3.92 1.43 -1.26 -1.05 118.68 127.91 2fml s LEU 46 Ca 0.09 0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.36 2fml s LEU 46 Cb -0.16 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 2fml s LEU 46 CO -0.35 -0.28 -0.07 -0.76 0.23 0.00 0.00 176.35 175.13 2fml s LEU 47 N 2.17 3.10 0.35 1.79 1.43 -0.31 -2.88 118.68 124.33 2fml s LEU 47 Ca 0.16 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 2fml s LEU 47 Cb -0.16 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2fml s LEU 47 CO 0.11 0.21 0.09 0.00 0.23 0.00 0.00 176.35 176.98 2fml s TYR 49 N -3.30 0.68 -0.42 0.00 5.04 -1.04 -1.34 117.35 116.96 2fml s TYR 49 Ca 0.31 -0.16 -0.15 0.00 -2.44 0.00 0.00 57.07 54.63 2fml s TYR 49 Cb 0.06 -0.55 0.03 0.00 0.35 0.00 0.00 41.96 41.86 2fml s TYR 49 CO 0.15 -0.12 0.33 1.21 -1.34 0.00 0.00 175.55 175.78 2fml s ASN 50 N 0.49 6.12 0.23 4.32 3.84 0.13 -3.50 114.94 126.57 2fml s ASN 50 Ca -0.06 -0.98 -0.01 0.00 0.21 0.00 0.00 52.86 52.02 2fml s ASN 50 Cb -0.10 -2.17 0.25 0.00 -0.55 0.00 0.00 41.25 38.68 2fml s ASN 50 CO 0.00 -0.50 1.62 0.11 -2.79 0.00 0.00 177.10 175.55 2fml h LYS 51 N 8.66 0.57 -0.33 0.43 1.57 -1.96 0.44 116.57 125.96 2fml h LYS 51 Ca -0.27 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.15 2fml h LYS 51 Cb 1.12 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 2fml h LYS 51 CO 0.76 0.84 -0.16 0.93 -0.57 0.00 0.00 179.45 181.26 2fml h GLU 52 N 0.48 0.60 0.00 3.15 5.08 -1.97 -2.75 114.58 119.17 2fml h GLU 52 Ca 0.05 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2fml h GLU 52 Cb 0.84 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2fml h GLU 52 CO 0.07 0.74 -0.75 0.00 -1.00 0.00 0.00 179.01 178.07 2fml n ALA 53 N -2.48 3.46 -3.63 3.43 0.00 -1.14 -4.98 120.51 115.17 2fml n ALA 53 Ca 0.01 -0.37 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 2fml n ALA 53 Cb 0.37 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 18.81 2fml n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2fml n ASP 54 N -1.79 -2.46 -4.00 0.00 8.00 0.10 -5.01 116.55 111.39 2fml n ASP 54 Ca 0.04 -0.83 -0.23 0.00 0.71 0.00 0.00 54.79 54.48 2fml n ASP 54 Cb 0.39 -4.13 -0.16 0.00 -0.02 0.00 0.00 41.12 37.20 2fml n ASP 54 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2fml s GLN 55 N -5.77 1.35 0.03 -1.24 -0.21 -0.90 -4.97 119.66 107.96 2fml s GLN 55 Ca 0.13 -0.34 -0.28 0.00 0.02 0.00 0.00 55.36 54.89 2fml s GLN 55 Cb -0.03 -1.18 -0.04 0.00 1.00 0.00 0.00 33.01 32.75 2fml s GLN 55 CO 0.81 0.05 0.88 -1.17 -2.12 0.00 0.00 175.29 173.73 2fml s LEU 56 N 0.54 4.42 0.07 2.90 2.96 -1.26 0.17 118.68 128.48 2fml s LEU 56 Ca -0.10 1.57 0.02 0.00 -0.22 0.00 0.00 54.13 55.40 2fml s LEU 56 Cb -0.13 -3.41 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 2fml s LEU 56 CO 0.02 -0.12 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.32 2fml s LYS 57 N 0.44 0.67 -0.01 1.98 1.02 -0.45 -0.08 119.74 123.31 2fml s LYS 57 Ca 0.45 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 55.42 2fml s LYS 57 Cb -0.21 -0.26 0.01 0.00 -0.52 0.00 0.00 37.83 36.85 2fml s LYS 57 CO 0.26 0.02 0.01 0.54 -0.92 0.00 0.00 175.35 175.26 2fml s VAL 58 N -2.38 -0.01 0.03 3.17 0.11 -0.52 -1.98 120.40 118.83 2fml s VAL 58 Ca -0.00 0.08 -0.29 0.00 -2.93 0.00 0.00 61.98 58.84 2fml s VAL 58 Cb -0.03 -0.06 -0.04 0.00 -1.53 0.00 0.00 36.38 34.72 2fml s VAL 58 CO -0.02 0.04 0.95 -0.22 -3.33 0.00 0.00 175.10 172.52 2fml s LEU 59 N 0.45 4.41 0.05 2.54 2.96 -1.14 -0.08 118.68 127.87 2fml s LEU 59 Ca -0.04 1.66 0.01 0.00 -0.22 0.00 0.00 54.13 55.55 2fml s LEU 59 Cb -0.06 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 2fml s LEU 59 CO -0.01 -0.18 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.02 2fml s LEU 60 N 0.63 2.36 -0.07 -0.68 1.43 -0.66 -4.41 118.68 117.28 2fml s LEU 60 Ca 0.49 -0.74 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2fml s LEU 60 Cb -0.22 -0.03 0.02 0.00 0.03 0.00 0.00 46.19 46.00 2fml s LEU 60 CO 0.28 -0.36 -0.07 -0.63 0.23 0.00 0.00 176.35 175.80 2fml s ILE 61 N -2.42 0.86 0.18 -0.59 1.01 -0.55 -1.82 121.20 117.87 2fml s ILE 61 Ca -0.02 -0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 2fml s ILE 61 Cb -0.03 -0.85 -0.08 0.00 0.01 0.00 0.00 42.46 41.51 2fml s ILE 61 CO -0.03 0.31 1.02 -1.58 0.00 0.00 0.00 174.94 174.66 2fml s GLN 62 N 1.15 4.70 -0.27 2.79 0.74 0.65 -0.77 119.66 128.64 2fml s GLN 62 Ca -0.06 1.59 -0.29 0.00 0.05 0.00 0.00 55.36 56.64 2fml s GLN 62 Cb -0.14 -3.30 0.01 0.00 1.10 0.00 0.00 33.01 30.68 2fml s GLN 62 CO -0.01 0.24 1.09 1.03 -0.55 0.00 0.00 175.29 177.08 2fml s ARG 63 N -0.55 4.14 0.61 1.67 0.52 0.42 -4.55 118.95 121.20 2fml s ARG 63 Ca 0.46 1.23 0.33 0.00 -0.52 0.00 0.00 55.73 57.23 2fml s ARG 63 Cb -0.27 -3.71 1.95 0.00 0.52 0.00 0.00 34.95 33.44 2fml s ARG 63 CO 0.33 -0.80 2.28 0.87 0.02 0.00 0.00 175.30 178.01 2fml h LYS 64 N 7.92 0.00 0.00 3.54 1.57 -1.90 1.09 116.57 128.79 2fml h LYS 64 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2fml h LYS 64 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2fml h LYS 64 CO 1.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.30 2fml n GLY 65 N -1.28 -0.85 3.74 3.86 0.00 -1.26 -4.82 105.19 104.58 2fml n GLY 65 Ca -0.03 0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2fml n GLY 65 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fml s HIS 66 N 0.00 2.17 0.71 1.61 3.76 -1.26 -3.05 115.29 119.23 2fml s HIS 66 Ca 0.00 1.43 -0.11 0.00 -0.15 0.00 0.00 55.06 56.23 2fml s HIS 66 Cb 0.00 -3.75 0.02 0.00 1.11 0.00 0.00 32.58 29.96 2fml s HIS 66 CO 0.00 -2.93 1.07 -1.25 -0.85 0.00 0.00 174.74 170.77 2fml s PRO 67 N -3.16 2.81 -1.55 8.40 0.04 -1.26 -4.88 135.00 135.40 2fml s PRO 67 Ca 0.78 0.86 -0.05 0.00 0.04 0.00 0.00 61.00 62.62 2fml s PRO 67 Cb -0.39 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.18 2fml s PRO 67 CO 0.44 -1.17 0.64 1.19 0.04 0.00 0.00 177.00 178.14 2fml n PHE 68 N -3.16 -2.03 -1.65 0.56 3.72 -1.26 -4.91 117.46 108.72 2fml n PHE 68 Ca 0.07 0.55 -0.62 0.00 -0.05 0.00 0.00 57.45 57.40 2fml n PHE 68 Cb 0.54 -4.50 -0.09 0.00 -0.94 0.00 0.00 39.48 34.50 2fml n PHE 68 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2fml n ARG 69 N -4.09 0.25 -0.84 -1.08 0.63 -1.17 -1.73 116.66 108.62 2fml n ARG 69 Ca -0.10 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2fml n ARG 69 Cb 0.62 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 31.90 2fml n ARG 69 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2fml n ASN 70 N 3.25 0.00 -4.82 6.15 5.03 0.38 -4.97 115.26 120.28 2fml n ASN 70 Ca 0.26 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.38 2fml n ASN 70 Cb 0.03 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 38.72 2fml n ASN 70 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2fml s SER 71 N -3.12 6.89 0.18 6.41 0.01 -0.70 -4.70 113.70 118.67 2fml s SER 71 Ca 0.00 1.71 -0.17 0.00 1.31 0.00 0.00 55.95 58.79 2fml s SER 71 Cb 0.00 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.61 2fml s SER 71 CO 0.00 -0.39 0.64 0.26 0.41 0.00 0.00 173.24 174.15 2fml s TRP 72 N -2.17 3.64 0.05 2.43 0.52 0.61 -0.44 118.94 123.58 2fml s TRP 72 Ca 0.62 1.23 0.05 0.00 0.02 0.00 0.00 56.10 58.02 2fml s TRP 72 Cb -0.10 -2.50 -0.02 0.00 -1.15 0.00 0.00 33.47 29.70 2fml s TRP 72 CO 0.14 0.39 -0.14 0.00 0.02 0.00 0.00 176.95 177.36 2fml s ALA 73 N -1.48 1.17 0.72 0.98 0.00 0.05 -0.18 121.76 123.03 2fml s ALA 73 Ca 0.40 -0.89 -0.16 0.00 0.00 0.00 0.00 51.96 51.31 2fml s ALA 73 Cb -0.16 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.85 2fml s ALA 73 CO 0.20 0.20 1.25 -0.51 0.00 0.00 0.00 175.76 176.89 2fml s LEU 74 N -1.37 3.36 0.72 0.00 1.43 -1.26 -1.49 118.68 120.07 2fml s LEU 74 Ca 0.00 2.48 -0.12 0.00 -1.03 0.00 0.00 54.13 55.46 2fml s LEU 74 Cb -0.09 -4.60 0.03 0.00 0.03 0.00 0.00 46.19 41.56 2fml s LEU 74 CO 0.02 -2.31 1.09 -2.16 0.23 0.00 0.00 176.35 173.22 2fml s PRO 75 N -3.76 2.53 0.00 1.29 0.04 -1.26 -4.85 135.00 128.99 2fml s PRO 75 Ca 0.78 1.24 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2fml s PRO 75 Cb -0.33 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2fml s PRO 75 CO 0.45 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 176.46 2fml n GLY 76 N -1.00 -0.54 0.00 0.56 0.00 -1.26 -4.45 105.19 98.50 2fml n GLY 76 Ca 0.09 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2fml n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fml n GLY 77 N 0.00 -1.61 3.76 -0.02 0.00 -0.13 -4.97 105.19 102.23 2fml n GLY 77 Ca 0.00 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 2fml n GLY 77 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fml s PHE 78 N -2.56 3.96 0.05 1.61 0.08 -1.26 -0.26 117.98 119.60 2fml s PHE 78 Ca 0.00 1.83 -0.30 0.00 0.12 0.00 0.00 56.93 58.58 2fml s PHE 78 Cb 0.00 -2.92 -0.05 0.00 -0.57 0.00 0.00 43.02 39.48 2fml s PHE 78 CO 0.00 0.47 1.10 0.08 -0.10 0.00 0.00 175.22 176.77 2fml s VAL 79 N -1.14 4.36 0.37 -0.44 1.01 -0.58 -4.87 120.40 119.11 2fml s VAL 79 Ca 0.40 1.73 -0.16 0.00 0.00 0.00 0.00 61.98 63.95 2fml s VAL 79 Cb -0.25 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 2fml s VAL 79 CO 0.30 0.16 0.80 0.20 0.00 0.00 0.00 175.10 176.56 2fml s ASN 80 N 0.88 6.76 0.36 3.32 0.01 -1.26 -4.90 114.94 120.11 2fml s ASN 80 Ca 0.55 1.36 0.17 0.00 -0.71 0.00 0.00 52.86 54.24 2fml s ASN 80 Cb -0.26 -2.41 1.19 0.00 0.41 0.00 0.00 41.25 40.18 2fml s ASN 80 CO 0.29 -0.29 1.64 -0.09 -1.51 0.00 0.00 177.10 177.14 2fml h ARG 81 N 1.95 0.20 -0.37 -0.60 9.65 -2.00 -0.67 114.38 122.54 2fml h ARG 81 Ca -0.48 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 2fml h ARG 81 Cb 1.18 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 2fml h ARG 81 CO 0.64 0.14 0.00 0.27 2.80 0.00 0.00 179.97 183.81 2fml n ASN 82 N -5.10 2.10 -4.28 -3.80 2.04 -1.26 -4.90 115.26 100.06 2fml n ASN 82 Ca 0.34 -1.97 -0.21 0.00 -0.44 0.00 0.00 54.58 52.31 2fml n ASN 82 Cb 1.10 -0.25 -0.11 0.00 -2.53 0.00 0.00 39.78 37.99 2fml n ASN 82 CO 0.00 0.00 0.00 -1.83 -0.44 0.00 0.00 177.26 174.99 2fml s GLU 83 N -1.50 1.14 0.71 -3.83 -1.05 -0.26 -5.14 118.70 108.77 2fml s GLU 83 Ca 0.28 -1.27 -0.11 0.00 -0.15 0.00 0.00 54.97 53.71 2fml s GLU 83 Cb 0.14 -1.18 0.02 0.00 -0.44 0.00 0.00 34.13 32.67 2fml s GLU 83 CO 0.19 0.25 1.07 -1.54 0.95 0.00 0.00 175.26 176.17 2fml s SER 84 N -2.38 5.27 0.38 0.83 1.04 -1.26 -4.71 113.70 112.87 2fml s SER 84 Ca 0.10 1.56 0.05 0.00 0.48 0.00 0.00 55.95 58.15 2fml s SER 84 Cb -0.07 -2.42 0.77 0.00 0.10 0.00 0.00 66.02 64.40 2fml s SER 84 CO 0.05 -1.51 2.03 0.71 0.98 0.00 0.00 173.24 175.50 2fml h THR 85 N -0.76 1.12 -0.23 2.02 1.35 -1.99 -1.23 112.91 113.19 2fml h THR 85 Ca -0.44 -0.24 0.03 0.00 -0.55 0.00 0.00 66.41 65.21 2fml h THR 85 Cb 1.22 0.37 -0.03 0.00 -1.73 0.00 0.00 68.15 67.98 2fml h THR 85 CO 0.57 0.13 0.05 -0.33 -0.25 0.00 0.00 175.52 175.69 2fml h GLU 86 N 0.69 0.15 -0.81 4.72 3.07 -1.99 -1.11 114.58 119.30 2fml h GLU 86 Ca 0.20 -0.01 0.07 0.00 -0.50 0.00 0.00 59.36 59.12 2fml h GLU 86 Cb -0.04 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 27.78 2fml h GLU 86 CO -0.05 0.10 0.48 -0.44 -1.40 0.00 0.00 179.01 177.70 2fml h ASP 87 N 0.15 0.74 -0.25 1.42 3.32 -1.64 -2.84 116.42 117.32 2fml h ASP 87 Ca 0.10 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 2fml h ASP 87 Cb 0.09 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2fml h ASP 87 CO -0.13 0.46 -0.08 0.28 -1.72 0.00 0.00 179.24 178.06 2fml h SER 88 N 0.87 0.60 -0.31 6.45 0.02 -0.77 -2.13 113.55 118.28 2fml h SER 88 Ca 0.36 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2fml h SER 88 Cb 0.21 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2fml h SER 88 CO -0.19 0.73 0.21 0.58 -1.14 0.00 0.00 176.83 177.02 2fml h VAL 89 N 0.58 1.08 -0.53 2.27 2.07 -1.05 0.28 116.25 120.96 2fml h VAL 89 Ca 0.11 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2fml h VAL 89 Cb 0.49 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2fml h VAL 89 CO 0.03 0.08 0.26 -0.07 0.02 0.00 0.00 177.57 177.88 2fml h LEU 90 N 0.42 0.69 -0.09 2.57 3.38 -1.24 -0.88 115.31 120.16 2fml h LEU 90 Ca 0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2fml h LEU 90 Cb -0.04 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2fml h LEU 90 CO -0.02 0.62 -0.00 -0.09 0.09 0.00 0.00 178.44 179.03 2fml h ARG 91 N 0.71 0.17 -0.28 1.13 2.43 -1.18 -2.69 114.38 114.67 2fml h ARG 91 Ca 0.18 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 2fml h ARG 91 Cb 0.11 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2fml h ARG 91 CO -0.02 0.44 -0.18 0.93 -1.51 0.00 0.00 179.97 179.62 2fml h GLU 92 N -0.12 0.50 -0.18 0.20 4.39 -0.33 -1.65 114.58 117.40 2fml h GLU 92 Ca 0.03 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 2fml h GLU 92 Cb 0.36 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2fml h GLU 92 CO 0.01 0.67 -0.03 1.15 -1.16 0.00 0.00 179.01 179.64 2fml h THR 93 N 0.46 1.28 -0.21 1.13 2.02 -1.19 -1.31 112.91 115.09 2fml h THR 93 Ca 0.08 -0.98 0.04 0.00 0.77 0.00 0.00 66.41 66.32 2fml h THR 93 Cb 0.57 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 2fml h THR 93 CO 0.04 0.29 -0.03 0.50 0.37 0.00 0.00 175.52 176.69 2fml h LYS 94 N 0.06 0.03 -0.46 6.66 3.64 -1.38 0.22 116.57 125.34 2fml h LYS 94 Ca 0.05 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.52 2fml h LYS 94 Cb 0.46 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.19 2fml h LYS 94 CO 0.02 0.02 -0.12 0.93 -2.27 0.00 0.00 179.45 178.02 2fml h GLU 95 N 0.03 -0.01 0.10 1.90 5.08 -1.29 0.40 114.58 120.78 2fml h GLU 95 Ca 0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2fml h GLU 95 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2fml h GLU 95 CO -0.20 -0.01 -0.05 1.49 -1.00 0.00 0.00 179.01 179.25 2fml h GLU 96 N -0.01 -0.12 0.00 2.33 4.57 -1.05 -3.38 114.58 116.91 2fml h GLU 96 Ca 0.22 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 2fml h GLU 96 Cb 0.34 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2fml h GLU 96 CO -0.47 0.29 -1.61 0.25 -1.18 0.00 0.00 179.01 176.28 2fml n THR 97 N -4.94 0.00 -0.64 0.32 -2.24 0.05 -5.00 114.28 101.83 2fml n THR 97 Ca -0.09 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2fml n THR 97 Cb 0.24 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2fml n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fml n GLY 98 N 1.65 1.43 3.73 3.38 0.00 0.14 -4.89 105.19 110.63 2fml n GLY 98 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 2fml n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fml s VAL 99 N -3.53 5.11 -0.51 1.61 1.01 -1.26 -4.93 120.40 117.90 2fml s VAL 99 Ca 0.00 1.09 -0.28 0.00 0.00 0.00 0.00 61.98 62.78 2fml s VAL 99 Cb 0.00 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.54 2fml s VAL 99 CO 0.00 0.34 1.13 -0.69 0.00 0.00 0.00 175.10 175.88 2fml s VAL 100 N 0.45 4.17 0.28 2.92 1.01 -1.26 -3.38 120.40 124.60 2fml s VAL 100 Ca 0.29 1.05 0.08 0.00 0.00 0.00 0.00 61.98 63.39 2fml s VAL 100 Cb -0.16 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 2fml s VAL 100 CO 0.13 -1.11 0.18 0.27 0.00 0.00 0.00 175.10 174.56 2fml s ILE 101 N 4.55 3.92 0.49 2.22 -4.36 -1.26 -5.11 121.20 121.65 2fml s ILE 101 Ca 0.45 -1.52 0.05 0.00 -0.26 0.00 0.00 60.65 59.37 2fml s ILE 101 Cb -0.08 -3.21 -0.00 0.00 1.25 0.00 0.00 42.46 40.42 2fml s ILE 101 CO 0.29 -0.30 0.25 -0.94 0.24 0.00 0.00 174.94 174.48 2fml s SER 102 N -3.85 4.48 0.66 4.36 1.04 -1.26 -4.92 113.70 114.21 2fml s SER 102 Ca 0.35 -1.27 0.40 0.00 0.48 0.00 0.00 55.95 55.91 2fml s SER 102 Cb -0.07 0.14 2.19 0.00 0.10 0.00 0.00 66.02 68.38 2fml s SER 102 CO 0.24 -0.87 2.26 1.56 0.98 0.00 0.00 173.24 177.41 2fml h GLN 103 N 1.09 0.00 -0.19 4.02 4.20 -1.94 -0.96 115.11 121.33 2fml h GLN 103 Ca -0.40 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.36 2fml h GLN 103 Cb 1.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 2fml h GLN 103 CO 0.65 0.00 0.19 0.93 -0.67 0.00 0.00 178.83 179.93 2fml h GLU 104 N 0.00 0.00 -0.21 1.46 3.07 -2.02 -2.55 114.58 114.33 2fml h GLU 104 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2fml h GLU 104 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 2fml h GLU 104 CO -0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 2fml n ASN 105 N -3.88 2.93 -4.40 1.42 5.03 -0.37 -4.98 115.26 111.02 2fml n ASN 105 Ca 0.02 -1.92 -0.21 0.00 0.87 0.00 0.00 54.58 53.34 2fml n ASN 105 Cb 0.32 -0.13 -0.10 0.00 -1.02 0.00 0.00 39.78 38.85 2fml n ASN 105 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2fml s ILE 106 N -1.75 1.96 -0.07 2.41 -4.36 -0.96 -1.51 121.20 116.93 2fml s ILE 106 Ca 0.34 -2.26 -0.03 0.00 -0.26 0.00 0.00 60.65 58.44 2fml s ILE 106 Cb 0.21 -2.19 0.04 0.00 1.25 0.00 0.00 42.46 41.77 2fml s ILE 106 CO 0.31 -0.49 0.12 -0.70 0.24 0.00 0.00 174.94 174.42 2fml s GLU 107 N -3.61 -0.00 0.14 0.37 2.12 0.16 -4.98 118.70 112.90 2fml s GLU 107 Ca 0.26 0.48 -0.31 0.00 0.36 0.00 0.00 54.97 55.76 2fml s GLU 107 Cb -0.01 -0.34 -0.10 0.00 0.26 0.00 0.00 34.13 33.93 2fml s GLU 107 CO 0.10 -0.30 1.74 -1.14 -0.54 0.00 0.00 175.26 175.12 2fml s GLN 108 N 2.15 4.15 -0.26 4.30 0.74 -1.26 -0.56 119.66 128.92 2fml s GLN 108 Ca 0.03 2.53 -0.15 0.00 0.05 0.00 0.00 55.36 57.82 2fml s GLN 108 Cb -0.12 -3.39 -0.11 0.00 1.10 0.00 0.00 33.01 30.48 2fml s GLN 108 CO -0.05 -0.77 -0.33 -0.11 -0.55 0.00 0.00 175.29 173.48 2fml n LEU 109 N 4.98 1.95 0.00 3.68 7.94 0.38 -4.87 117.00 131.06 2fml n LEU 109 Ca 0.16 0.34 0.00 0.00 -1.11 0.00 0.00 56.01 55.41 2fml n LEU 109 Cb 0.38 -0.82 0.00 0.00 0.53 0.00 0.00 43.42 43.51 2fml n LEU 109 CO 0.64 0.45 0.00 1.57 -1.11 0.00 0.00 177.39 178.94 2fml n HIS 110 N -4.29 0.00 -3.63 1.96 -0.00 -1.14 -5.01 115.22 103.11 2fml n HIS 110 Ca -0.48 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 56.87 2fml n HIS 110 Cb 0.83 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.73 2fml n HIS 110 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2fml s SER 111 N 0.00 6.17 -0.28 0.26 0.01 -1.26 -0.86 113.70 117.74 2fml s SER 111 Ca 0.00 0.18 -0.11 0.00 1.31 0.00 0.00 55.95 57.33 2fml s SER 111 Cb 0.00 -2.12 -0.05 0.00 0.21 0.00 0.00 66.02 64.06 2fml s SER 111 CO 0.00 0.06 0.18 -0.36 0.41 0.00 0.00 173.24 173.53 2fml s PHE 112 N 1.02 3.21 0.00 2.43 0.08 0.00 -4.98 117.98 119.74 2fml s PHE 112 Ca 0.09 0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.24 2fml s PHE 112 Cb -0.13 -2.37 0.00 0.00 -0.57 0.00 0.00 43.02 39.94 2fml s PHE 112 CO 0.04 -0.17 0.84 -1.13 -0.10 0.00 0.00 175.22 174.71 2fml n SER 113 N 5.05 0.00 -4.68 1.36 3.41 -1.26 -1.91 113.62 115.59 2fml n SER 113 Ca -0.14 -1.70 -0.54 0.00 -0.26 0.00 0.00 58.87 56.23 2fml n SER 113 Cb 0.52 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 64.27 2fml n SER 113 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2fml n ARG 114 N 0.00 1.44 -0.25 4.33 0.63 -1.26 -4.80 116.66 116.75 2fml n ARG 114 Ca 0.00 0.53 0.19 0.00 -0.92 0.00 0.00 57.85 57.65 2fml n ARG 114 Cb 0.64 -2.24 0.51 0.00 0.45 0.00 0.00 32.46 31.81 2fml n ARG 114 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 2fml h PRO 115 N 7.16 0.41 -0.71 -0.14 0.11 -1.98 -0.51 132.00 136.33 2fml h PRO 115 Ca -0.47 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 2fml h PRO 115 Cb 1.31 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 32.23 2fml h PRO 115 CO 0.92 0.27 0.21 -0.40 -0.21 0.00 0.00 178.00 178.79 2fml n ASP 116 N -4.52 5.10 -0.02 -2.05 5.75 -1.26 -4.62 116.55 114.93 2fml n ASP 116 Ca 0.20 -3.16 0.07 0.00 -0.01 0.00 0.00 54.79 51.89 2fml n ASP 116 Cb 0.70 -0.74 0.46 0.00 -1.03 0.00 0.00 41.12 40.52 2fml n ASP 116 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2fml h ARG 117 N 3.02 0.46 -4.91 0.11 0.11 -1.41 -3.29 114.38 108.46 2fml h ARG 117 Ca 0.21 -0.03 -0.67 0.00 0.10 0.00 0.00 59.98 59.59 2fml h ARG 117 Cb 2.28 -0.10 -0.30 0.00 1.11 0.00 0.00 29.97 32.96 2fml h ARG 117 CO 0.69 0.30 -0.72 0.34 0.10 0.00 0.00 179.97 180.69 2fml s ASP 118 N -6.54 4.45 0.00 0.08 -1.08 -1.26 -4.60 116.67 107.73 2fml s ASP 118 Ca -0.08 -0.69 0.18 0.00 -0.52 0.00 0.00 52.55 51.44 2fml s ASP 118 Cb 0.18 -1.73 0.78 0.00 -1.46 0.00 0.00 42.92 40.70 2fml s ASP 118 CO 0.73 -0.11 1.57 -0.81 0.52 0.00 0.00 175.17 177.08 2fml n PRO 119 N 4.75 0.03 0.15 4.34 -0.04 -1.24 -2.87 135.00 140.12 2fml n PRO 119 Ca -0.17 0.18 -0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2fml n PRO 119 Cb 0.48 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.68 2fml n PRO 119 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fml h ARG 120 N 0.00 0.02 0.00 0.54 3.08 -1.94 -3.49 114.38 112.58 2fml h ARG 120 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2fml h ARG 120 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2fml h ARG 120 CO 0.00 0.54 0.00 0.41 -1.07 0.00 0.00 179.97 179.85 2fml n GLY 121 N -0.01 -1.69 3.59 0.04 0.00 -1.14 -5.10 105.19 100.88 2fml n GLY 121 Ca -0.01 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 2fml n GLY 121 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2fml s TRP 122 N -2.43 2.54 -0.11 1.61 -0.00 -1.26 -4.43 118.94 114.86 2fml s TRP 122 Ca 0.00 0.58 -0.00 0.00 -0.00 0.00 0.00 56.10 56.68 2fml s TRP 122 Cb 0.00 -4.42 0.02 0.00 -0.00 0.00 0.00 33.47 29.07 2fml s TRP 122 CO 0.00 -1.68 -0.08 0.08 -0.00 0.00 0.00 176.95 175.27 2fml s VAL 123 N 5.18 1.06 -0.09 5.86 1.01 -1.26 -0.72 120.40 131.45 2fml s VAL 123 Ca 0.51 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 62.17 2fml s VAL 123 Cb -0.10 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 2fml s VAL 123 CO 0.29 0.37 -0.06 -0.69 0.00 0.00 0.00 175.10 175.01 2fml s VAL 124 N 1.62 3.73 -0.03 2.92 1.01 -0.45 -4.75 120.40 124.45 2fml s VAL 124 Ca 0.04 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.63 2fml s VAL 124 Cb -0.13 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 2fml s VAL 124 CO -0.08 0.57 -0.24 0.28 0.00 0.00 0.00 175.10 175.64 2fml s THR 125 N -0.50 2.23 -0.38 3.92 -1.32 -0.80 -1.22 115.64 117.56 2fml s THR 125 Ca 0.08 -1.04 -0.15 0.00 -1.21 0.00 0.00 61.69 59.37 2fml s THR 125 Cb -0.12 -1.79 0.00 0.00 -1.51 0.00 0.00 72.50 69.08 2fml s THR 125 CO 0.02 0.58 0.31 -0.69 -2.21 0.00 0.00 174.62 172.63 2fml s VAL 126 N -0.60 5.23 0.18 5.08 1.01 -0.37 -0.82 120.40 130.12 2fml s VAL 126 Ca 0.09 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 2fml s VAL 126 Cb -0.10 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 2fml s VAL 126 CO -0.00 -0.20 0.46 -0.94 0.00 0.00 0.00 175.10 174.42 2fml s SER 127 N 1.72 6.56 0.02 3.32 1.04 -0.04 -2.99 113.70 123.33 2fml s SER 127 Ca 0.08 0.75 0.01 0.00 0.48 0.00 0.00 55.95 57.27 2fml s SER 127 Cb -0.18 -2.16 -0.02 0.00 0.10 0.00 0.00 66.02 63.77 2fml s SER 127 CO 0.11 -0.01 -0.06 -0.31 0.98 0.00 0.00 173.24 173.96 2fml s TYR 128 N -1.73 0.48 0.08 5.02 1.51 -0.62 -0.47 117.35 121.62 2fml s TYR 128 Ca 0.44 -0.35 -0.14 0.00 -1.01 0.00 0.00 57.07 56.01 2fml s TYR 128 Cb -0.12 -0.30 -0.06 0.00 -0.11 0.00 0.00 41.96 41.37 2fml s TYR 128 CO 0.23 -0.07 0.48 -0.51 -1.11 0.00 0.00 175.55 174.57 2fml s LEU 129 N -1.03 4.41 -0.01 -1.29 1.43 0.28 -0.87 118.68 121.60 2fml s LEU 129 Ca -0.07 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 2fml s LEU 129 Cb -0.07 -2.98 0.01 0.00 0.03 0.00 0.00 46.19 43.18 2fml s LEU 129 CO -0.00 0.20 -0.01 0.00 0.23 0.00 0.00 176.35 176.77 2fml s ALA 130 N -1.30 0.18 -0.33 4.21 0.00 -0.21 -0.67 121.76 123.65 2fml s ALA 130 Ca 0.32 0.03 -0.10 0.00 0.00 0.00 0.00 51.96 52.20 2fml s ALA 130 Cb -0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 2fml s ALA 130 CO 0.17 -0.00 0.18 -0.06 0.00 0.00 0.00 175.76 176.05 2fml s PHE 131 N 0.34 3.20 -0.39 0.00 0.08 -0.57 -1.16 117.98 119.48 2fml s PHE 131 Ca -0.03 -0.59 0.23 0.00 0.12 0.00 0.00 56.93 56.66 2fml s PHE 131 Cb -0.05 -2.39 0.07 0.00 -0.57 0.00 0.00 43.02 40.07 2fml s PHE 131 CO -0.01 -0.48 1.07 -0.89 -0.10 0.00 0.00 175.22 174.81 2fml n ILE 132 N 5.01 0.43 -0.97 0.64 5.41 -0.14 -4.79 119.36 124.95 2fml n ILE 132 Ca -0.13 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.20 2fml n ILE 132 Cb 0.49 -0.16 0.00 0.00 -0.71 0.00 0.00 39.64 39.25 2fml n ILE 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2fml n GLY 133 N 1.26 0.87 3.77 7.39 0.00 -1.22 -4.95 105.19 112.30 2fml n GLY 133 Ca 0.01 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 2fml n GLY 133 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2fml s GLU 134 N 0.00 2.96 -0.09 1.61 -1.05 -1.25 -2.49 118.70 118.39 2fml s GLU 134 Ca 0.00 1.53 -0.29 0.00 -0.15 0.00 0.00 54.97 56.06 2fml s GLU 134 Cb 0.00 -1.96 -0.06 0.00 -0.44 0.00 0.00 34.13 31.67 2fml s GLU 134 CO 0.00 -1.15 1.93 -2.00 0.95 0.00 0.00 175.26 174.99 2fml s GLU 135 N -3.73 3.82 0.44 -4.83 2.12 -1.23 -4.82 118.70 110.48 2fml s GLU 135 Ca 0.70 2.24 -0.22 0.00 0.36 0.00 0.00 54.97 58.05 2fml s GLU 135 Cb -0.23 -4.17 -0.09 0.00 0.26 0.00 0.00 34.13 29.90 2fml s GLU 135 CO 0.36 -1.30 1.06 -1.25 -0.54 0.00 0.00 175.26 173.58 2fml s PRO 136 N 4.94 3.97 0.36 4.30 0.04 -1.26 -5.02 135.00 142.33 2fml s PRO 136 Ca 0.87 1.47 -0.26 0.00 0.04 0.00 0.00 61.00 63.12 2fml s PRO 136 Cb -0.36 -2.34 -0.09 0.00 0.04 0.00 0.00 34.50 31.75 2fml s PRO 136 CO 0.36 -0.30 1.08 -0.51 0.04 0.00 0.00 177.00 177.67 2fml s LEU 137 N -3.03 4.29 -0.27 -3.56 1.43 -1.26 -5.03 118.68 111.25 2fml s LEU 137 Ca 0.62 2.17 -0.08 0.00 -1.03 0.00 0.00 54.13 55.81 2fml s LEU 137 Cb -0.20 -3.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.04 2fml s LEU 137 CO 0.25 -0.40 0.09 -0.63 0.23 0.00 0.00 176.35 175.89 2fml s ILE 138 N -1.45 4.26 -0.33 -0.59 1.01 -1.26 -5.03 121.20 117.81 2fml s ILE 138 Ca 0.53 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 60.53 2fml s ILE 138 Cb -0.27 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.14 2fml s ILE 138 CO 0.34 0.22 1.16 0.00 0.00 0.00 0.00 174.94 176.66 2fml s ALA 139 N 1.58 3.42 0.00 9.38 0.00 -1.26 -5.00 121.76 129.88 2fml s ALA 139 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2fml s ALA 139 Cb -0.16 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.23 2fml s ALA 139 CO 0.04 -1.66 0.00 0.41 0.00 0.00 0.00 175.76 174.55 2fml n GLY 140 N 4.12 0.00 3.15 0.00 0.00 -1.26 -5.03 105.19 106.17 2fml n GLY 140 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 2fml n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2fml s ASP 141 N 0.00 -0.54 0.61 1.61 3.68 -1.26 -5.04 116.67 115.73 2fml s ASP 141 Ca 0.00 0.27 0.39 0.00 2.13 0.00 0.00 52.55 55.34 2fml s ASP 141 Cb 0.00 1.42 1.95 0.00 -1.45 0.00 0.00 42.92 44.85 2fml s ASP 141 CO 0.00 -0.10 2.21 0.44 0.13 0.00 0.00 175.17 177.85 2fml h ASP 142 N 7.87 0.00 0.91 -0.34 3.32 -2.05 -2.33 116.42 123.81 2fml h ASP 142 Ca -0.13 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 2fml h ASP 142 Cb 1.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 2fml h ASP 142 CO -0.07 0.01 -0.08 0.00 -1.72 0.00 0.00 179.24 177.38 2fml h ALA 143 N 1.99 1.03 -3.50 3.45 0.00 -2.02 -3.42 119.26 116.78 2fml h ALA 143 Ca -0.00 -0.08 -0.32 0.00 0.00 0.00 0.00 54.91 54.51 2fml h ALA 143 Cb 0.22 -0.01 -0.34 0.00 0.00 0.00 0.00 17.79 17.65 2fml h ALA 143 CO 0.00 0.11 -0.74 -1.59 0.00 0.00 0.00 179.25 177.03 2fml s LYS 144 N -3.72 0.12 -0.69 0.00 -2.85 -0.88 -5.03 119.74 106.70 2fml s LYS 144 Ca 0.00 0.14 -0.24 0.00 -1.00 0.00 0.00 55.97 54.87 2fml s LYS 144 Cb 0.10 -0.37 0.05 0.00 -2.06 0.00 0.00 37.83 35.55 2fml s LYS 144 CO 0.57 -0.16 1.09 -2.00 0.10 0.00 0.00 175.35 174.96 2fml s GLU 145 N 1.10 3.15 -0.03 1.78 2.56 -1.26 -4.69 118.70 121.31 2fml s GLU 145 Ca -0.09 -0.57 0.00 0.00 0.00 0.00 0.00 54.97 54.31 2fml s GLU 145 Cb -0.13 -4.20 0.03 0.00 2.00 0.00 0.00 34.13 31.82 2fml s GLU 145 CO -0.02 -1.95 0.00 0.54 -0.56 0.00 0.00 175.26 173.27 2fml s VAL 146 N 4.75 0.12 0.00 3.70 0.11 -1.26 -0.26 120.40 127.57 2fml s VAL 146 Ca 0.28 0.10 -0.14 0.00 -2.93 0.00 0.00 61.98 59.28 2fml s VAL 146 Cb -0.13 -0.22 0.02 0.00 -1.53 0.00 0.00 36.38 34.52 2fml s VAL 146 CO 0.12 0.12 0.30 -1.00 -3.33 0.00 0.00 175.10 171.32 2fml s HIS 147 N 0.94 -0.15 -0.47 1.54 3.76 -0.75 -5.02 115.29 115.14 2fml s HIS 147 Ca -0.09 0.17 -0.28 0.00 -0.15 0.00 0.00 55.06 54.70 2fml s HIS 147 Cb -0.13 0.09 0.03 0.00 1.11 0.00 0.00 32.58 33.68 2fml s HIS 147 CO -0.02 -0.42 1.11 -1.58 -0.85 0.00 0.00 174.74 172.98 2fml s TRP 148 N -1.65 2.83 0.19 1.40 0.52 -1.26 -1.66 118.94 119.31 2fml s TRP 148 Ca -0.11 0.67 -0.25 0.00 0.02 0.00 0.00 56.10 56.43 2fml s TRP 148 Cb -0.04 -4.37 -0.08 0.00 -1.15 0.00 0.00 33.47 27.83 2fml s TRP 148 CO 0.02 -1.24 0.79 -0.06 0.02 0.00 0.00 176.95 176.48 2fml s PHE 149 N 4.35 3.88 0.32 -1.98 0.08 0.88 -4.79 117.98 120.72 2fml s PHE 149 Ca 0.46 1.64 -0.29 0.00 0.12 0.00 0.00 56.93 58.86 2fml s PHE 149 Cb -0.08 -2.78 -0.11 0.00 -0.57 0.00 0.00 43.02 39.49 2fml s PHE 149 CO 0.31 0.48 1.50 1.21 -0.10 0.00 0.00 175.22 178.62 2fml s ASN 150 N -1.23 6.44 -0.18 1.36 2.47 -0.17 -1.43 114.94 122.19 2fml s ASN 150 Ca 0.38 2.93 0.01 0.00 0.42 0.00 0.00 52.86 56.59 2fml s ASN 150 Cb -0.22 -2.65 0.02 0.00 -1.45 0.00 0.00 41.25 36.95 2fml s ASN 150 CO 0.26 -0.83 -0.19 -0.22 -3.72 0.00 0.00 177.10 172.40 2fml s LEU 151 N -1.24 2.15 0.10 3.21 2.96 0.89 -1.35 118.68 125.39 2fml s LEU 151 Ca 0.57 -0.67 -0.05 0.00 -0.22 0.00 0.00 54.13 53.76 2fml s LEU 151 Cb -0.46 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 2fml s LEU 151 CO 0.54 -0.01 0.12 -1.83 -1.32 0.00 0.00 176.35 173.85 2fml s GLU 152 N 1.30 0.84 -0.02 1.98 -1.05 -0.74 -4.47 118.70 116.54 2fml s GLU 152 Ca 0.04 -1.14 0.04 0.00 -0.15 0.00 0.00 54.97 53.76 2fml s GLU 152 Cb -0.13 0.30 -0.01 0.00 -0.44 0.00 0.00 34.13 33.84 2fml s GLU 152 CO -0.12 -0.25 -0.15 0.50 0.95 0.00 0.00 175.26 176.18 2fml s ARG 153 N -3.92 1.36 -0.09 -4.83 3.52 -1.26 -0.34 118.95 113.39 2fml s ARG 153 Ca 0.11 -0.54 -0.01 0.00 -0.13 0.00 0.00 55.73 55.16 2fml s ARG 153 Cb 0.06 -1.27 0.03 0.00 -1.56 0.00 0.00 34.95 32.21 2fml s ARG 153 CO -0.07 0.29 -0.05 -1.01 -0.81 0.00 0.00 175.30 173.65 2fml s HIS 154 N -0.20 1.15 0.00 5.12 3.76 0.08 -4.52 115.29 120.68 2fml s HIS 154 Ca 0.02 -0.50 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 2fml s HIS 154 Cb -0.08 -1.04 0.00 0.00 1.11 0.00 0.00 32.58 32.57 2fml s HIS 154 CO 0.00 -0.42 0.00 0.41 -0.85 0.00 0.00 174.74 173.88 2fml n GLY 155 N 4.91 2.81 1.44 -2.22 0.00 -1.26 -1.27 105.19 109.60 2fml n GLY 155 Ca -0.12 0.30 0.09 0.00 0.00 0.00 0.00 46.02 46.29 2fml n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fml n GLN 156 N 11.76 3.37 -4.41 1.61 10.64 -1.26 -4.92 117.38 134.17 2fml n GLN 156 Ca 0.00 -2.56 -0.29 0.00 -1.83 0.00 0.00 57.00 52.32 2fml n GLN 156 Cb 0.00 -1.80 -0.12 0.00 -0.86 0.00 0.00 30.24 27.46 2fml n GLN 156 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 2fml s HIS 157 N -1.74 2.45 0.19 2.61 3.76 -0.40 -0.40 115.29 121.76 2fml s HIS 157 Ca 0.46 -0.31 0.11 0.00 -0.15 0.00 0.00 55.06 55.17 2fml s HIS 157 Cb 0.29 -1.33 -0.04 0.00 1.11 0.00 0.00 32.58 32.61 2fml s HIS 157 CO 0.23 0.34 -0.20 0.96 -0.85 0.00 0.00 174.74 175.22 2fml s ILE 158 N -1.07 2.59 -0.06 0.60 -4.36 -0.25 -0.74 121.20 117.91 2fml s ILE 158 Ca 0.16 -1.92 0.04 0.00 -0.26 0.00 0.00 60.65 58.67 2fml s ILE 158 Cb -0.10 -2.25 -0.00 0.00 1.25 0.00 0.00 42.46 41.35 2fml s ILE 158 CO 0.08 -0.11 -0.18 -0.89 0.24 0.00 0.00 174.94 174.08 2fml s THR 159 N -1.67 1.52 -0.21 8.37 2.01 0.54 -1.34 115.64 124.85 2fml s THR 159 Ca 0.22 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.48 2fml s THR 159 Cb -0.08 -1.32 0.03 0.00 0.01 0.00 0.00 72.50 71.14 2fml s THR 159 CO 0.11 0.44 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.58 2fml s LEU 160 N 0.17 2.66 0.07 4.42 1.02 0.33 -1.78 118.68 125.57 2fml s LEU 160 Ca -0.08 -0.80 0.05 0.00 0.02 0.00 0.00 54.13 53.32 2fml s LEU 160 Cb -0.13 -1.56 -0.03 0.00 0.02 0.00 0.00 46.19 44.49 2fml s LEU 160 CO 0.03 -0.06 -0.15 -0.94 0.02 0.00 0.00 176.35 175.25 2fml s SER 161 N 1.28 1.77 -0.18 2.29 1.04 -0.46 -0.42 113.70 119.02 2fml s SER 161 Ca 0.02 -0.62 -0.06 0.00 0.48 0.00 0.00 55.95 55.77 2fml s SER 161 Cb -0.15 -0.06 0.08 0.00 0.10 0.00 0.00 66.02 65.99 2fml s SER 161 CO -0.09 -0.06 0.37 -2.28 0.98 0.00 0.00 173.24 172.16 2fml s HIS 162 N -1.25 -0.68 0.00 5.02 5.04 -0.04 -1.00 115.29 122.38 2fml s HIS 162 Ca -0.01 1.31 0.00 0.00 -1.54 0.00 0.00 55.06 54.82 2fml s HIS 162 Cb -0.10 0.18 0.00 0.00 0.04 0.00 0.00 32.58 32.70 2fml s HIS 162 CO 0.02 -0.45 0.00 0.39 -2.34 0.00 0.00 174.74 172.36 2fml n GLU 163 N 5.38 0.00 -0.18 2.88 1.02 -1.26 -0.55 120.64 127.93 2fml n GLU 163 Ca -0.07 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.18 2fml n GLU 163 Cb 0.50 0.00 0.21 0.00 -0.02 0.00 0.00 31.44 32.12 2fml n GLU 163 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2fml n ASP 164 N 5.10 3.43 -4.67 1.62 8.00 -1.26 -4.83 116.55 123.94 2fml n ASP 164 Ca 0.00 -1.98 -0.42 0.00 0.71 0.00 0.00 54.79 53.10 2fml n ASP 164 Cb 0.00 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 2fml n ASP 164 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2fml s VAL 165 N -1.46 4.83 -0.17 2.53 1.01 0.29 -5.04 120.40 122.39 2fml s VAL 165 Ca 0.38 1.77 -0.03 0.00 0.00 0.00 0.00 61.98 64.09 2fml s VAL 165 Cb 0.22 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.46 2fml s VAL 165 CO 0.31 -0.01 0.04 -0.70 0.00 0.00 0.00 175.10 174.74 2fml s GLU 166 N 2.26 0.52 -0.19 2.72 2.12 -1.26 -0.87 118.70 124.01 2fml s GLU 166 Ca 0.41 -0.26 -0.05 0.00 0.36 0.00 0.00 54.97 55.43 2fml s GLU 166 Cb -0.17 -1.86 -0.02 0.00 0.26 0.00 0.00 34.13 32.34 2fml s GLU 166 CO 0.13 -0.59 -0.01 0.42 -0.54 0.00 0.00 175.26 174.66 2fml s ILE 167 N 1.93 3.90 -0.11 -3.70 1.01 0.44 -4.29 121.20 120.38 2fml s ILE 167 Ca 0.01 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.35 2fml s ILE 167 Cb -0.16 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.57 2fml s ILE 167 CO -0.08 0.45 -0.22 -0.89 0.00 0.00 0.00 174.94 174.20 2fml s THR 168 N 0.82 1.97 0.02 2.92 2.01 -1.26 -0.51 115.64 121.61 2fml s THR 168 Ca -0.00 -0.95 0.06 0.00 0.31 0.00 0.00 61.69 61.11 2fml s THR 168 Cb -0.14 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 2fml s THR 168 CO 0.02 0.54 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.54 2fml s LEU 169 N 0.57 2.12 -0.20 4.42 1.43 -0.45 0.06 118.68 126.64 2fml s LEU 169 Ca -0.14 -0.44 -0.22 0.00 -1.03 0.00 0.00 54.13 52.30 2fml s LEU 169 Cb -0.17 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 2fml s LEU 169 CO 0.04 0.15 0.70 -0.62 0.23 0.00 0.00 176.35 176.85 2fml s ASP 170 N -0.92 6.75 0.50 2.29 -1.08 -0.15 -1.09 116.67 122.96 2fml s ASP 170 Ca 0.06 0.91 0.31 0.00 -0.52 0.00 0.00 52.55 53.31 2fml s ASP 170 Cb -0.08 -2.38 1.15 0.00 -1.46 0.00 0.00 42.92 40.15 2fml s ASP 170 CO 0.01 -0.34 1.90 -0.07 0.52 0.00 0.00 175.17 177.18 2fml h LEU 171 N 8.44 0.00 0.11 -1.34 3.38 -1.07 -0.56 115.31 124.28 2fml h LEU 171 Ca -0.29 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.34 2fml h LEU 171 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2fml h LEU 171 CO 0.80 0.00 -1.83 0.11 0.09 0.00 0.00 178.44 177.61 2fml h LYS 172 N 0.00 0.24 0.00 1.13 1.57 -1.94 -3.42 116.57 114.15 2fml h LYS 172 Ca 0.00 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2fml h LYS 172 Cb 0.58 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2fml h LYS 172 CO 0.00 1.10 -0.90 0.25 -0.57 0.00 0.00 179.45 179.33 2fml n THR 173 N -3.42 0.00 -0.92 -0.16 -2.24 -1.19 -4.99 114.28 101.36 2fml n THR 173 Ca -0.26 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2fml n THR 173 Cb 1.05 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 2fml n THR 173 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fml n ALA 174 N -1.50 0.00 -1.80 6.98 0.00 -0.22 -4.98 120.51 118.99 2fml n ALA 174 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2fml n ALA 174 Cb 0.22 -0.60 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 2fml n ALA 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fml s ALA 175 N -1.94 3.60 -0.25 0.00 0.00 -1.26 -4.44 121.76 117.47 2fml s ALA 175 Ca 0.00 1.43 -0.12 0.00 0.00 0.00 0.00 51.96 53.27 2fml s ALA 175 Cb 0.00 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 2fml s ALA 175 CO 0.00 -0.86 0.23 0.45 0.00 0.00 0.00 175.76 175.58 2fml s SER 176 N -0.00 6.14 0.00 0.00 0.15 -1.26 -0.98 113.70 117.75 2fml s SER 176 Ca 0.55 0.14 0.18 0.00 0.70 0.00 0.00 55.95 57.52 2fml s SER 176 Cb -0.44 -2.14 -0.10 0.00 -1.71 0.00 0.00 66.02 61.63 2fml s SER 176 CO 0.53 -0.03 0.83 0.18 1.20 0.00 0.00 173.24 175.95 2fml n LEU 177 N 4.72 1.26 0.00 3.45 4.77 0.11 -5.01 117.00 126.30 2fml n LEU 177 Ca -0.13 -0.62 -0.25 0.00 -0.03 0.00 0.00 56.01 54.98 2fml n LEU 177 Cb 0.52 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 2fml n LEU 177 CO 0.35 0.26 0.01 0.61 -1.33 0.00 0.00 177.39 177.30 2fml n GLY 178 N 1.33 2.92 0.36 -0.72 0.00 -1.26 -4.96 105.19 102.85 2fml n GLY 178 Ca 0.05 -2.30 0.07 0.00 0.00 0.00 0.00 46.02 43.84 2fml n GLY 178 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2fml h LYS 179 N 0.00 0.83 -6.38 1.61 2.10 -1.96 -3.41 116.57 109.36 2fml h LYS 179 Ca -0.33 -0.05 -0.54 0.00 -2.00 0.00 0.00 60.65 57.73 2fml h LYS 179 Cb 1.16 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 32.28 2fml h LYS 179 CO 0.52 0.55 0.47 -0.51 -2.00 0.00 0.00 179.45 178.48 2fml s ASP 180 N -6.01 7.27 0.28 7.07 1.01 -1.26 -5.03 116.67 120.00 2fml s ASP 180 Ca -0.11 1.70 0.10 0.00 0.71 0.00 0.00 52.55 54.95 2fml s ASP 180 Cb 0.20 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 2fml s ASP 180 CO 0.79 -0.36 -0.14 0.42 0.21 0.00 0.00 175.17 176.08 2fml s THR 181 N 1.33 2.15 0.04 -1.27 -4.23 -1.26 -4.65 115.64 107.76 2fml s THR 181 Ca 0.53 -2.28 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 2fml s THR 181 Cb -0.22 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 2fml s THR 181 CO 0.26 -0.38 0.09 -0.76 -0.54 0.00 0.00 174.62 173.28 2fml s LEU 182 N -3.48 3.87 0.52 4.79 1.43 -1.26 -0.28 118.68 124.27 2fml s LEU 182 Ca 0.29 0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.36 2fml s LEU 182 Cb -0.01 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 2fml s LEU 182 CO 0.13 0.21 0.90 0.00 0.23 0.00 0.00 176.35 177.83 2fml s ALA 183 N -1.32 3.23 0.00 4.21 0.00 0.75 -4.75 121.76 123.88 2fml s ALA 183 Ca 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2fml s ALA 183 Cb -0.12 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2fml s ALA 183 CO 0.19 -0.39 0.00 1.19 0.00 0.00 0.00 175.76 176.76 2fml n PHE 184 N -2.13 0.00 -1.23 0.00 3.72 -1.26 -1.10 117.46 115.45 2fml n PHE 184 Ca 0.04 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.42 2fml n PHE 184 Cb 0.54 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.31 2fml n PHE 184 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2fml n ASP 185 N 3.65 3.35 0.29 4.37 5.68 -1.26 -4.73 116.55 127.90 2fml n ASP 185 Ca 0.00 -3.44 0.15 0.00 -0.50 0.00 0.00 54.79 51.00 2fml n ASP 185 Cb 0.00 -0.64 0.91 0.00 -1.14 0.00 0.00 41.12 40.25 2fml n ASP 185 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 2fml h HIS 186 N 1.47 0.00 -0.35 2.11 3.86 -1.44 -0.84 115.15 119.96 2fml h HIS 186 Ca 0.19 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.28 2fml h HIS 186 Cb 1.78 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.24 2fml h HIS 186 CO 0.93 0.00 -0.28 0.66 0.86 0.00 0.00 177.93 180.11 2fml h SER 187 N 0.00 0.75 -0.77 2.45 4.64 -1.85 -0.76 113.55 118.01 2fml h SER 187 Ca 0.01 -0.29 -0.03 0.00 -0.47 0.00 0.00 61.79 61.01 2fml h SER 187 Cb 0.03 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 61.88 2fml h SER 187 CO -0.00 0.98 0.38 -0.33 -0.87 0.00 0.00 176.83 177.00 2fml h GLU 188 N 0.62 1.10 -0.10 4.77 5.08 -1.38 -2.38 114.58 122.30 2fml h GLU 188 Ca 0.08 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2fml h GLU 188 Cb 0.79 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2fml h GLU 188 CO 0.06 0.85 0.06 0.82 -1.00 0.00 0.00 179.01 179.80 2fml h ILE 189 N 1.08 1.07 -0.75 3.13 2.04 -1.14 -1.79 117.51 121.15 2fml h ILE 189 Ca 0.27 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.94 2fml h ILE 189 Cb 0.10 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 2fml h ILE 189 CO -0.04 0.06 0.49 0.40 0.00 0.00 0.00 178.15 179.07 2fml h ILE 190 N 0.08 1.16 -0.01 -0.67 2.04 -1.13 -1.34 117.51 117.65 2fml h ILE 190 Ca 0.04 -0.34 -0.14 0.00 1.00 0.00 0.00 64.86 65.41 2fml h ILE 190 Cb 0.06 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 2fml h ILE 190 CO -0.01 0.18 -0.67 0.16 0.00 0.00 0.00 178.15 177.82 2fml h ILE 191 N 0.99 1.47 -0.27 -0.67 3.07 -1.42 -0.95 117.51 119.73 2fml h ILE 191 Ca 0.28 -2.27 0.02 0.00 1.55 0.00 0.00 64.86 64.45 2fml h ILE 191 Cb -0.07 2.22 -0.03 0.00 -0.27 0.00 0.00 36.82 38.67 2fml h ILE 191 CO -0.08 0.65 0.11 0.50 -1.05 0.00 0.00 178.15 178.28 2fml h LYS 192 N 0.02 0.24 -0.58 0.16 3.64 -1.14 -0.09 116.57 118.81 2fml h LYS 192 Ca -0.01 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2fml h LYS 192 Cb 1.18 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 2fml h LYS 192 CO 0.09 0.16 0.27 0.00 -2.27 0.00 0.00 179.45 177.70 2fml h ALA 193 N 1.16 0.75 -0.05 5.00 0.00 -1.02 -1.13 119.26 123.97 2fml h ALA 193 Ca 0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2fml h ALA 193 Cb 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2fml h ALA 193 CO -0.10 0.32 0.02 0.35 0.00 0.00 0.00 179.25 179.83 2fml h PHE 194 N 0.79 0.08 -0.14 0.00 3.57 -0.99 -2.46 116.94 117.79 2fml h PHE 194 Ca 0.20 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 2fml h PHE 194 Cb 0.13 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2fml h PHE 194 CO 0.00 0.21 -0.30 -0.91 -2.23 0.00 0.00 178.31 175.08 2fml h ASN 195 N -0.07 0.26 -0.35 0.41 2.35 -1.01 -1.52 115.58 115.65 2fml h ASN 195 Ca 0.02 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2fml h ASN 195 Cb 0.17 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2fml h ASN 195 CO -0.00 0.56 0.22 -0.09 -1.65 0.00 0.00 177.43 176.47 2fml h ARG 196 N 0.23 0.46 0.38 0.81 9.65 -1.04 0.05 114.38 124.92 2fml h ARG 196 Ca 0.03 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2fml h ARG 196 Cb 0.66 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 2fml h ARG 196 CO 0.05 0.34 -0.18 0.28 2.80 0.00 0.00 179.97 183.25 2fml h VAL 197 N 0.45 0.63 -0.66 0.20 2.07 -1.17 -1.63 116.25 116.15 2fml h VAL 197 Ca 0.12 -0.25 0.12 0.00 0.82 0.00 0.00 66.70 67.52 2fml h VAL 197 Cb -0.01 0.75 -0.12 0.00 -1.52 0.00 0.00 31.29 30.39 2fml h VAL 197 CO -0.02 0.05 -0.28 0.58 0.02 0.00 0.00 177.57 177.91 2fml h VAL 198 N -0.66 0.20 0.00 2.57 2.07 -1.26 -1.42 116.25 117.76 2fml h VAL 198 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2fml h VAL 198 Cb 0.47 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2fml h VAL 198 CO 0.09 0.00 0.00 0.44 0.02 0.00 0.00 177.57 178.12 2fml h ASP 199 N -0.10 0.00 -1.75 0.57 3.32 -0.92 -3.42 116.42 114.13 2fml h ASP 199 Ca 0.28 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 56.59 2fml h ASP 199 Cb 0.54 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.81 2fml h ASP 199 CO -0.72 0.00 0.92 0.29 -1.72 0.00 0.00 179.24 178.01 2fml n LYS 200 N -2.33 2.78 0.00 3.56 5.02 -0.54 -4.91 118.16 121.74 2fml n LYS 200 Ca 0.04 -3.53 0.00 0.00 -2.02 0.00 0.00 58.31 52.80 2fml n LYS 200 Cb 0.35 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 2fml n LYS 200 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2fml n GLU 202 N -0.62 0.00 0.00 1.97 2.13 -1.26 -1.19 120.64 121.67 2fml n GLU 202 Ca 0.55 0.00 0.02 0.00 0.66 0.00 0.00 57.16 58.39 2fml n GLU 202 Cb 0.35 -0.16 -0.01 0.00 0.27 0.00 0.00 31.44 31.90 2fml n GLU 202 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 2fml n HIS 203 N 0.00 0.00 -3.02 4.31 1.44 -1.26 -4.79 115.22 111.91 2fml n HIS 203 Ca 0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 2fml n HIS 203 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 2fml n HIS 203 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 2fml s GLU 204 N -1.06 0.98 -0.04 -1.40 2.12 -0.33 -5.05 118.70 113.92 2fml s GLU 204 Ca 0.02 -1.31 -0.02 0.00 0.36 0.00 0.00 54.97 54.01 2fml s GLU 204 Cb 0.03 -0.49 -0.09 0.00 0.26 0.00 0.00 34.13 33.84 2fml s GLU 204 CO 0.12 -1.33 2.65 -0.35 -0.54 0.00 0.00 175.26 175.81 2fml n PRO 205 N 3.09 1.48 -0.35 4.30 -0.04 -1.26 -4.49 135.00 137.72 2fml n PRO 205 Ca 0.21 -0.56 0.37 0.00 -0.04 0.00 0.00 63.50 63.48 2fml n PRO 205 Cb 0.53 -1.46 0.75 0.00 -0.04 0.00 0.00 33.50 33.28 2fml n PRO 205 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2fml h GLN 206 N 1.86 0.00 -0.04 0.54 4.15 -1.96 -1.91 115.11 117.75 2fml h GLN 206 Ca 0.10 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.53 2fml h GLN 206 Cb 1.18 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.87 2fml h GLN 206 CO 0.16 0.00 0.12 -0.24 -1.93 0.00 0.00 178.83 176.95 2fml h VAL 207 N 0.00 0.13 0.00 2.39 3.04 -1.98 -1.95 116.25 117.89 2fml h VAL 207 Ca 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.29 2fml h VAL 207 Cb 2.48 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 32.64 2fml h VAL 207 CO -0.01 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.73 2fml n LEU 208 N -3.23 0.00 0.20 3.16 4.77 -0.72 -1.70 117.00 119.48 2fml n LEU 208 Ca -0.02 0.37 0.13 0.00 -0.03 0.00 0.00 56.01 56.47 2fml n LEU 208 Cb 0.20 -0.37 0.70 0.00 -2.33 0.00 0.00 43.42 41.62 2fml n LEU 208 CO 0.20 -0.09 0.90 1.56 -1.33 0.00 0.00 177.39 178.64 2fml h GLN 209 N 0.00 0.00 0.00 3.23 4.20 -1.58 -1.89 115.11 119.07 2fml h GLN 209 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2fml h GLN 209 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2fml h GLN 209 CO 0.00 0.00 0.00 -0.39 -0.67 0.00 0.00 178.83 177.77 2fml h VAL 210 N 0.00 0.00 -0.00 -0.54 -1.51 -1.58 -2.02 116.25 110.60 2fml h VAL 210 Ca 0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 2fml h VAL 210 Cb 0.05 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 2fml h VAL 210 CO 0.00 0.00 -0.01 0.18 -1.23 0.00 0.00 177.57 176.51 2fml n LEU 211 N -2.67 0.05 0.00 4.19 4.77 -0.71 -3.52 117.00 119.11 2fml n LEU 211 Ca -0.00 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2fml n LEU 211 Cb 0.17 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2fml n LEU 211 CO 0.20 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 2fml n GLY 212 N 1.14 0.12 0.24 -0.72 0.00 -0.76 -4.20 105.19 101.01 2fml n GLY 212 Ca 0.19 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 45.35 2fml n GLY 212 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2fml h LYS 213 N 0.00 0.00 -3.00 1.61 2.10 -1.94 -3.45 116.57 111.89 2fml h LYS 213 Ca 0.00 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 2fml h LYS 213 Cb 0.00 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.24 2fml h LYS 213 CO 0.00 0.14 0.22 0.16 -2.00 0.00 0.00 179.45 177.97 2fml s ASP 214 N -6.04 -0.44 -0.04 7.07 3.84 -1.26 -4.74 116.67 115.06 2fml s ASP 214 Ca 0.01 -0.25 -0.27 0.00 -0.00 0.00 0.00 52.55 52.04 2fml s ASP 214 Cb 0.10 0.65 0.06 0.00 -1.38 0.00 0.00 42.92 42.35 2fml s ASP 214 CO 0.61 -1.12 0.60 0.72 -0.00 0.00 0.00 175.17 175.98 2fml s PHE 215 N -3.82 -0.56 0.45 2.11 -0.12 -0.20 -4.91 117.98 110.93 2fml s PHE 215 Ca 0.05 0.93 -0.06 0.00 -0.05 0.00 0.00 56.93 57.79 2fml s PHE 215 Cb -0.03 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 2fml s PHE 215 CO -0.05 -0.57 0.76 0.95 -0.05 0.00 0.00 175.22 176.26 2fml s THR 216 N -1.31 4.89 0.26 -4.49 -4.23 -1.26 -0.69 115.64 108.81 2fml s THR 216 Ca -0.11 0.28 -0.02 0.00 -1.18 0.00 0.00 61.69 60.66 2fml s THR 216 Cb -0.01 -3.83 0.24 0.00 1.34 0.00 0.00 72.50 70.24 2fml s THR 216 CO 0.08 -0.73 1.80 0.40 -0.54 0.00 0.00 174.62 175.62 2fml h ILE 217 N 0.51 0.84 -0.66 2.99 5.03 -2.00 -1.79 117.51 122.44 2fml h ILE 217 Ca -0.47 -0.26 -0.01 0.00 -0.12 0.00 0.00 64.86 63.99 2fml h ILE 217 Cb 1.20 0.01 -0.03 0.00 -3.03 0.00 0.00 36.82 34.97 2fml h ILE 217 CO 0.62 0.14 0.36 0.74 -0.68 0.00 0.00 178.15 179.34 2fml h THR 218 N 0.77 1.21 -0.45 -0.27 2.02 -1.96 0.80 112.91 115.03 2fml h THR 218 Ca 0.44 -0.51 0.02 0.00 0.77 0.00 0.00 66.41 67.13 2fml h THR 218 Cb 0.50 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 2fml h THR 218 CO -0.29 0.22 0.27 -0.33 0.37 0.00 0.00 175.52 175.77 2fml h GLU 219 N 0.90 0.54 -0.84 6.66 5.08 -1.88 -0.56 114.58 124.48 2fml h GLU 219 Ca 0.23 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2fml h GLU 219 Cb 0.04 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 2fml h GLU 219 CO -0.04 0.36 0.50 0.00 -1.00 0.00 0.00 179.01 178.83 2fml h ALA 220 N 1.19 1.07 -0.71 3.43 0.00 -0.87 -2.53 119.26 120.84 2fml h ALA 220 Ca 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2fml h ALA 220 Cb -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 2fml h ALA 220 CO -0.07 0.54 0.32 -0.09 0.00 0.00 0.00 179.25 179.95 2fml h ARG 221 N 1.15 1.03 -0.89 0.00 2.43 -0.27 -2.21 114.38 115.61 2fml h ARG 221 Ca 0.30 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 2fml h ARG 221 Cb -0.04 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.28 2fml h ARG 221 CO -0.06 0.81 0.59 0.87 -1.51 0.00 0.00 179.97 180.67 2fml h LYS 222 N 1.02 1.14 0.54 0.20 1.57 -0.78 0.03 116.57 120.29 2fml h LYS 222 Ca 0.24 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 2fml h LYS 222 Cb 0.13 -0.26 0.01 0.00 0.08 0.00 0.00 32.23 32.19 2fml h LYS 222 CO -0.03 0.76 -0.26 0.28 -0.57 0.00 0.00 179.45 179.63 2fml h VAL 223 N 1.18 0.43 -0.81 0.50 2.07 -1.13 -2.59 116.25 115.90 2fml h VAL 223 Ca 0.34 -0.20 0.16 0.00 0.82 0.00 0.00 66.70 67.83 2fml h VAL 223 Cb -0.08 0.51 -0.10 0.00 -1.52 0.00 0.00 31.29 30.09 2fml h VAL 223 CO -0.09 0.03 0.35 -0.26 0.02 0.00 0.00 177.57 177.62 2fml h PHE 224 N -0.86 0.59 -0.83 1.57 -1.00 -1.32 -1.63 116.94 113.46 2fml h PHE 224 Ca -0.07 0.04 0.06 0.00 2.81 0.00 0.00 57.97 60.80 2fml h PHE 224 Cb 0.61 -0.14 -0.05 0.00 3.61 0.00 0.00 35.95 39.98 2fml h PHE 224 CO -0.01 0.06 0.54 0.00 -1.61 0.00 0.00 178.31 177.28 2fml h ALA 225 N 1.59 1.57 -0.62 2.45 0.00 -0.88 -0.96 119.26 122.40 2fml h ALA 225 Ca 0.46 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 2fml h ALA 225 Cb 0.74 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2fml h ALA 225 CO -0.43 0.31 0.24 0.87 0.00 0.00 0.00 179.25 180.24 2fml h LYS 226 N 0.93 0.94 0.00 0.00 1.79 -0.89 -0.13 116.57 119.22 2fml h LYS 226 Ca 0.35 -0.18 -0.13 0.00 -2.18 0.00 0.00 60.65 58.51 2fml h LYS 226 Cb 0.18 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 2fml h LYS 226 CO -0.12 0.80 -0.60 0.74 -1.08 0.00 0.00 179.45 179.19 2fml h PHE 227 N 0.88 0.00 0.00 -1.35 0.04 -1.27 -3.18 116.94 112.07 2fml h PHE 227 Ca 0.21 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.88 2fml h PHE 227 Cb 0.22 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 2fml h PHE 227 CO 0.01 0.60 -0.56 -0.07 -0.60 0.00 0.00 178.31 177.70 2fml h LEU 228 N 0.00 0.00 -0.25 1.54 3.38 -0.94 -3.47 115.31 115.57 2fml h LEU 228 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2fml h LEU 228 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2fml h LEU 228 CO 0.08 0.42 -0.04 0.61 0.09 0.00 0.00 178.44 179.61 2fml n GLY 229 N 1.23 0.52 3.37 0.83 0.00 -0.10 -4.88 105.19 106.16 2fml n GLY 229 Ca 0.01 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 2fml n GLY 229 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2fml s VAL 230 N -2.42 1.55 0.06 1.61 -7.23 -0.94 -4.66 120.40 108.37 2fml s VAL 230 Ca 0.01 -2.13 -0.31 0.00 -1.81 0.00 0.00 61.98 57.74 2fml s VAL 230 Cb -0.01 -2.26 -0.08 0.00 0.56 0.00 0.00 36.38 34.59 2fml s VAL 230 CO 0.02 -0.43 1.56 -0.62 -0.31 0.00 0.00 175.10 175.32 2fml s ASP 231 N -3.36 6.68 0.56 4.85 -1.08 -1.26 -4.54 116.67 118.52 2fml s ASP 231 Ca 0.26 2.38 0.25 0.00 -0.52 0.00 0.00 52.55 54.92 2fml s ASP 231 Cb 0.02 -2.57 1.52 0.00 -1.46 0.00 0.00 42.92 40.43 2fml s ASP 231 CO 0.09 -0.82 2.10 0.10 0.52 0.00 0.00 175.17 177.16 2fml h TYR 232 N 7.96 0.00 0.00 -5.34 -0.00 -1.89 0.00 116.97 117.69 2fml h TYR 232 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.32 2fml h TYR 232 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.93 2fml h TYR 232 CO 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.91 2fml h ARG 233 N 0.00 0.00 -0.01 0.10 3.08 -1.96 -2.75 114.38 112.84 2fml h ARG 233 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2fml h ARG 233 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2fml h ARG 233 CO -0.00 0.00 -0.38 -1.13 -1.07 0.00 0.00 179.97 177.39 2fml n SER 234 N -2.41 1.05 -4.58 7.04 3.41 -0.01 -4.76 113.62 113.35 2fml n SER 234 Ca 0.00 -0.85 -0.42 0.00 -0.26 0.00 0.00 58.87 57.35 2fml n SER 234 Cb 0.15 0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 2fml n SER 234 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2fml s ILE 235 N -2.63 4.80 0.16 -1.33 1.01 -1.04 -5.02 121.20 117.15 2fml s ILE 235 Ca 0.20 0.72 -0.31 0.00 0.00 0.00 0.00 60.65 61.25 2fml s ILE 235 Cb 0.19 -4.15 -0.11 0.00 0.01 0.00 0.00 42.46 38.39 2fml s ILE 235 CO 0.59 -0.39 1.79 -0.62 0.00 0.00 0.00 174.94 176.30 2fml s ASP 236 N 1.83 6.39 0.04 3.58 2.15 -1.26 -4.84 116.67 124.57 2fml s ASP 236 Ca 0.28 2.82 -0.20 0.00 0.43 0.00 0.00 52.55 55.88 2fml s ASP 236 Cb -0.14 -2.58 -0.14 0.00 -0.30 0.00 0.00 42.92 39.76 2fml s ASP 236 CO 0.16 -1.00 1.35 -0.74 -0.17 0.00 0.00 175.17 174.77 2fml h HIS 237 N 7.80 0.44 -0.22 -5.34 -0.00 -1.93 -2.35 115.15 113.55 2fml h HIS 237 Ca -0.45 -0.13 -0.00 0.00 -0.00 0.00 0.00 60.37 59.79 2fml h HIS 237 Cb 1.21 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.52 2fml h HIS 237 CO 0.72 0.75 0.13 1.03 -0.00 0.00 0.00 177.93 180.57 2fml h SER 238 N 0.00 0.27 -0.37 3.26 0.87 -2.00 -0.54 113.55 115.04 2fml h SER 238 Ca 0.02 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 2fml h SER 238 Cb 0.67 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 2fml h SER 238 CO 0.04 0.24 0.06 0.78 -0.53 0.00 0.00 176.83 177.42 2fml h ASN 239 N 0.27 0.66 0.21 6.23 2.35 -1.95 -1.43 115.58 121.92 2fml h ASN 239 Ca 0.08 -0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2fml h ASN 239 Cb 0.02 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 2fml h ASN 239 CO -0.01 0.68 -0.36 0.15 -1.65 0.00 0.00 177.43 176.24 2fml h PHE 240 N 0.67 -0.99 -0.49 1.19 3.57 -1.07 -2.32 116.94 117.51 2fml h PHE 240 Ca 0.15 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.74 2fml h PHE 240 Cb 0.32 0.41 -0.07 0.00 2.79 0.00 0.00 35.95 39.40 2fml h PHE 240 CO 0.02 -0.48 0.10 -0.22 -2.23 0.00 0.00 178.31 175.50 2fml h LYS 241 N -0.65 0.23 -0.44 1.11 3.64 -0.62 -2.14 116.57 117.70 2fml h LYS 241 Ca 0.01 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2fml h LYS 241 Cb 0.64 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 2fml h LYS 241 CO -0.16 0.15 0.23 -0.22 -2.27 0.00 0.00 179.45 177.19 2fml h LYS 242 N 0.24 0.45 0.00 1.90 3.11 -1.28 -1.14 116.57 119.86 2fml h LYS 242 Ca 0.24 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.06 2fml h LYS 242 Cb 0.32 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 2fml h LYS 242 CO -0.32 0.30 0.00 0.00 -2.81 0.00 0.00 179.45 176.62 2fml n ALA 243 N -2.29 2.28 0.00 5.00 0.00 -0.81 -4.64 120.51 120.05 2fml n ALA 243 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2fml n ALA 243 Cb 0.10 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2fml n ALA 243 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2fml n THR 245 N -0.52 0.00 0.12 0.00 5.66 -0.43 -4.86 114.28 114.26 2fml n THR 245 Ca 0.01 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.03 2fml n THR 245 Cb 0.00 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 68.92 2fml n THR 245 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2fml n GLN 246 N 0.00 0.04 0.00 1.09 10.64 -1.26 -1.80 117.38 126.09 2fml n GLN 246 Ca 0.00 0.43 0.07 0.00 -1.83 0.00 0.00 57.00 55.68 2fml n GLN 246 Cb 0.00 -2.11 -0.01 0.00 -0.86 0.00 0.00 30.24 27.27 2fml n GLN 246 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2fml n TYR 247 N -1.72 0.00 -4.19 2.61 4.01 -1.26 -4.99 117.16 111.61 2fml n TYR 247 Ca -0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 2fml n TYR 247 Cb 0.49 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.43 2fml n TYR 247 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2fml s PHE 248 N -1.86 2.84 -0.15 -0.72 0.08 -0.74 -0.89 117.98 116.54 2fml s PHE 248 Ca 0.12 -0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.06 2fml s PHE 248 Cb 0.12 -1.48 -0.01 0.00 -0.57 0.00 0.00 43.02 41.08 2fml s PHE 248 CO 0.40 0.45 -0.11 -1.21 -0.10 0.00 0.00 175.22 174.65 2fml s GLU 249 N -2.24 3.40 0.07 0.44 2.02 0.87 -4.69 118.70 118.57 2fml s GLU 249 Ca 0.23 -0.66 -0.31 0.00 0.02 0.00 0.00 54.97 54.25 2fml s GLU 249 Cb -0.11 -2.72 -0.10 0.00 0.10 0.00 0.00 34.13 31.29 2fml s GLU 249 CO 0.15 0.14 1.89 0.39 0.02 0.00 0.00 175.26 177.86 2fml n GLU 250 N 3.77 2.77 0.00 1.61 1.02 -1.26 -1.23 120.64 127.31 2fml n GLU 250 Ca -0.18 1.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 2fml n GLU 250 Cb 0.52 -2.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.02 2fml n GLU 250 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2fml n LEU 251 N 6.46 1.44 0.00 -4.62 4.77 0.70 -4.93 117.00 120.82 2fml n LEU 251 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2fml n LEU 251 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2fml n LEU 251 CO 0.67 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2fml n GLY 252 N 2.54 1.03 0.00 -0.72 0.00 -1.21 -5.00 105.19 101.83 2fml n GLY 252 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2fml n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fml n GLU 253 N 0.00 0.92 0.00 1.61 1.02 -1.26 -0.45 120.64 122.48 2fml n GLU 253 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2fml n GLU 253 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2fml n GLU 253 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2fml n ARG 260 N 0.00 0.00 -2.72 3.49 0.00 -1.26 -4.56 116.66 111.61 2fml n ARG 260 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 2fml n ARG 260 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 32.43 2fml n ARG 260 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2fml s PRO 261 N 0.00 4.03 0.32 2.89 0.05 -1.26 -5.03 135.00 135.99 2fml s PRO 261 Ca 0.00 0.92 -0.27 0.00 0.05 0.00 0.00 61.00 61.70 2fml s PRO 261 Cb 0.00 -3.74 -0.09 0.00 0.05 0.00 0.00 34.50 30.72 2fml s PRO 261 CO 0.00 -0.85 1.03 0.45 0.05 0.00 0.00 177.00 177.68 2fml s SER 262 N 1.66 7.19 0.09 6.66 0.15 -1.26 -4.99 113.70 123.20 2fml s SER 262 Ca 0.42 2.08 -0.31 0.00 0.70 0.00 0.00 55.95 58.84 2fml s SER 262 Cb -0.13 -2.60 -0.08 0.00 -1.71 0.00 0.00 66.02 61.50 2fml s SER 262 CO 0.15 -0.18 1.45 -0.54 1.20 0.00 0.00 173.24 175.31 2fml s LYS 263 N -1.81 4.28 0.12 5.44 3.01 -1.26 -4.29 119.74 125.23 2fml s LYS 263 Ca 0.49 2.12 0.04 0.00 -1.01 0.00 0.00 55.97 57.61 2fml s LYS 263 Cb -0.26 -3.34 -0.04 0.00 -1.01 0.00 0.00 37.83 33.18 2fml s LYS 263 CO 0.33 -0.52 0.11 0.96 0.51 0.00 0.00 175.35 176.74 2fml s ILE 264 N 1.55 4.56 0.20 2.17 -4.36 0.41 -4.41 121.20 121.31 2fml s ILE 264 Ca 0.66 -0.88 0.02 0.00 -0.26 0.00 0.00 60.65 60.19 2fml s ILE 264 Cb -0.37 -3.25 -0.05 0.00 1.25 0.00 0.00 42.46 40.04 2fml s ILE 264 CO 0.30 0.02 0.01 -0.31 0.24 0.00 0.00 174.94 175.20 2fml s TYR 265 N -1.55 1.32 0.05 1.37 1.51 0.13 -0.21 117.35 119.97 2fml s TYR 265 Ca 0.30 -1.02 0.01 0.00 -1.01 0.00 0.00 57.07 55.35 2fml s TYR 265 Cb -0.11 -0.76 -0.03 0.00 -0.11 0.00 0.00 41.96 40.95 2fml s TYR 265 CO 0.23 -0.19 -0.06 -1.14 -1.11 0.00 0.00 175.55 173.28 2fml s GLN 266 N -3.92 0.54 0.35 -0.62 0.74 -0.37 -1.04 119.66 115.35 2fml s GLN 266 Ca 0.27 -0.89 -0.29 0.00 0.05 0.00 0.00 55.36 54.50 2fml s GLN 266 Cb 0.06 -0.11 -0.11 0.00 1.10 0.00 0.00 33.01 33.95 2fml s GLN 266 CO 0.06 -0.01 1.48 -0.51 -0.55 0.00 0.00 175.29 175.76 2fml s LEU 267 N -1.99 4.34 0.86 3.68 1.43 -1.26 -0.09 118.68 125.65 2fml s LEU 267 Ca -0.05 2.95 -0.13 0.00 -1.03 0.00 0.00 54.13 55.87 2fml s LEU 267 Cb -0.05 -3.66 0.13 0.00 0.03 0.00 0.00 46.19 42.64 2fml s LEU 267 CO -0.02 -0.82 1.22 -1.59 0.23 0.00 0.00 176.35 175.38 2fml s LYS 268 N -1.63 1.43 0.00 1.70 -2.85 -0.07 -4.64 119.74 113.68 2fml s LYS 268 Ca 0.55 -0.15 0.00 0.00 -1.00 0.00 0.00 55.97 55.37 2fml s LYS 268 Cb -0.45 -1.93 0.00 0.00 -2.06 0.00 0.00 37.83 33.39 2fml s LYS 268 CO 0.57 -1.91 0.00 -2.37 0.10 0.00 0.00 175.35 171.75