#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mm5 n ASN 2 N 0.00 0.14 0.02 6.12 2.85 -1.26 -4.87 115.26 118.25 1mm5 n ASN 2 Ca 0.00 -2.01 -0.08 0.00 -0.11 0.00 0.00 54.58 52.38 1mm5 n ASN 2 Cb 0.00 -0.03 -0.06 0.00 1.24 0.00 0.00 39.78 40.93 1mm5 n ASN 2 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mm5 h ALA 3 N 0.71 -0.16 0.00 5.20 0.00 -2.06 -3.18 119.26 119.77 1mm5 h ALA 3 Ca -0.37 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.20 1mm5 h ALA 3 Cb 1.64 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1mm5 h ALA 3 CO -0.06 -0.18 -0.71 -0.44 0.00 0.00 0.00 179.25 177.86 1mm5 h ASP 4 N -0.97 0.00 -0.27 0.00 5.19 -2.00 -3.15 116.42 115.22 1mm5 h ASP 4 Ca -0.02 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.41 1mm5 h ASP 4 Cb 0.43 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 1mm5 h ASP 4 CO 0.03 0.71 0.18 -0.08 -3.12 0.00 0.00 179.24 176.96 1mm5 h GLU 5 N 0.00 0.30 0.14 3.56 4.81 -1.90 -0.27 114.58 121.23 1mm5 h GLU 5 Ca -0.01 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 58.92 1mm5 h GLU 5 Cb 1.35 -0.07 0.02 0.00 0.63 0.00 0.00 28.75 30.68 1mm5 h GLU 5 CO 0.09 0.20 -1.26 2.35 -0.73 0.00 0.00 179.01 179.66 1mm5 h TRP 6 N 0.31 0.73 -0.47 0.92 7.01 -1.52 -3.20 115.95 119.73 1mm5 h TRP 6 Ca 0.11 -0.50 -0.09 0.00 2.11 0.00 0.00 58.89 60.52 1mm5 h TRP 6 Cb 0.05 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 1mm5 h TRP 6 CO -0.00 1.37 -0.05 0.52 -2.79 0.00 0.00 178.44 177.49 1mm5 h MET 7 N 0.15 0.87 -0.27 2.65 2.86 -1.36 -2.31 114.93 117.52 1mm5 h MET 7 Ca -0.17 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1mm5 h MET 7 Cb 1.96 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.54 1mm5 h MET 7 CO 0.22 0.93 0.15 1.79 1.06 0.00 0.00 176.91 181.07 1mm5 h THR 8 N 0.72 1.08 -0.14 2.22 1.35 -1.16 -0.83 112.91 116.15 1mm5 h THR 8 Ca 0.13 -0.20 -0.23 0.00 -0.55 0.00 0.00 66.41 65.56 1mm5 h THR 8 Cb 0.57 0.71 0.01 0.00 -1.73 0.00 0.00 68.15 67.72 1mm5 h THR 8 CO 0.03 0.09 -0.80 0.74 -0.25 0.00 0.00 175.52 175.33 1mm5 h THR 9 N 0.37 1.28 -0.32 6.82 2.02 -1.49 -0.62 112.91 120.97 1mm5 h THR 9 Ca 0.10 -2.01 -0.11 0.00 0.77 0.00 0.00 66.41 65.17 1mm5 h THR 9 Cb 0.00 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1mm5 h THR 9 CO -0.02 0.63 -0.24 0.15 0.37 0.00 0.00 175.52 176.42 1mm5 h PHE 10 N 0.52 0.71 0.08 3.16 3.04 -0.84 -1.26 116.94 122.34 1mm5 h PHE 10 Ca -0.06 -0.16 -0.27 0.00 3.98 0.00 0.00 57.97 61.46 1mm5 h PHE 10 Cb 1.43 -0.17 0.02 0.00 2.56 0.00 0.00 35.95 39.79 1mm5 h PHE 10 CO 0.09 0.81 -1.14 0.00 -2.02 0.00 0.00 178.31 176.04 1mm5 h ARG 11 N 0.55 0.52 -0.62 1.11 3.08 -1.18 -2.39 114.38 115.45 1mm5 h ARG 11 Ca 0.08 -0.66 -0.10 0.00 0.07 0.00 0.00 59.98 59.37 1mm5 h ARG 11 Cb 0.70 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 1mm5 h ARG 11 CO 0.05 1.27 0.01 1.49 -1.07 0.00 0.00 179.97 181.72 1mm5 h GLU 12 N 0.24 1.08 0.08 0.04 4.81 -1.01 0.13 114.58 119.95 1mm5 h GLU 12 Ca -0.14 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1mm5 h GLU 12 Cb 1.81 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 31.09 1mm5 h GLU 12 CO 0.21 1.05 -0.04 -0.97 -0.73 0.00 0.00 179.01 178.53 1mm5 h ASN 13 N 0.99 -0.10 -0.62 1.04 -0.73 -1.30 -1.58 115.58 113.28 1mm5 h ASN 13 Ca 0.18 -0.42 -0.01 0.00 1.87 0.00 0.00 56.30 57.91 1mm5 h ASN 13 Cb 0.56 0.02 -0.03 0.00 0.27 0.00 0.00 38.32 39.14 1mm5 h ASN 13 CO 0.03 0.40 0.34 -0.29 -0.37 0.00 0.00 177.43 177.54 1mm5 h ILE 14 N -0.62 1.20 -0.38 2.57 2.10 -1.43 -1.68 117.51 119.27 1mm5 h ILE 14 Ca -0.01 -0.50 -0.06 0.00 1.08 0.00 0.00 64.86 65.37 1mm5 h ILE 14 Cb 0.51 0.40 -0.02 0.00 -1.09 0.00 0.00 36.82 36.62 1mm5 h ILE 14 CO 0.02 0.22 -0.00 0.00 -1.08 0.00 0.00 178.15 177.30 1mm5 h ALA 15 N 1.16 1.29 0.15 0.18 0.00 -0.80 -1.52 119.26 119.73 1mm5 h ALA 15 Ca 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mm5 h ALA 15 Cb 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1mm5 h ALA 15 CO -0.04 0.48 -0.07 1.96 0.00 0.00 0.00 179.25 181.58 1mm5 h GLN 16 N 0.57 -0.19 -0.59 0.00 4.20 -0.81 0.05 115.11 118.34 1mm5 h GLN 16 Ca 0.12 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.85 1mm5 h GLN 16 Cb 0.37 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1mm5 h GLN 16 CO 0.01 0.14 0.39 0.00 -0.67 0.00 0.00 178.83 178.70 1mm5 h THR 17 N -0.54 1.15 -0.21 -0.54 1.03 -1.23 -1.79 112.91 110.76 1mm5 h THR 17 Ca -0.02 -0.27 -0.14 0.00 -0.01 0.00 0.00 66.41 65.97 1mm5 h THR 17 Cb 0.42 0.29 0.00 0.00 -1.07 0.00 0.00 68.15 67.79 1mm5 h THR 17 CO 0.03 0.14 -0.43 -0.50 -0.01 0.00 0.00 175.52 174.76 1mm5 h TRP 18 N 0.79 0.84 0.66 0.00 4.06 -1.20 -3.34 115.95 117.77 1mm5 h TRP 18 Ca 0.22 -0.31 -0.03 0.00 2.06 0.00 0.00 58.89 60.83 1mm5 h TRP 18 Cb -0.08 -0.16 0.01 0.00 -1.00 0.00 0.00 29.16 27.93 1mm5 h TRP 18 CO -0.00 1.08 -0.32 0.37 -3.56 0.00 0.00 178.44 176.00 1mm5 h GLN 19 N 0.37 -0.86 -6.30 0.49 5.75 -0.48 -3.41 115.11 110.66 1mm5 h GLN 19 Ca 0.01 0.06 -0.55 0.00 -0.15 0.00 0.00 58.65 58.01 1mm5 h GLN 19 Cb 1.03 0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.75 1mm5 h GLN 19 CO 0.10 -0.57 0.53 -1.14 -2.65 0.00 0.00 178.83 175.09 1mm5 s GLN 20 N -4.97 4.45 -0.07 1.69 2.00 -0.72 -4.99 119.66 117.05 1mm5 s GLN 20 Ca -0.13 1.43 -0.30 0.00 -2.00 0.00 0.00 55.36 54.36 1mm5 s GLN 20 Cb 0.01 -3.52 -0.06 0.00 0.80 0.00 0.00 33.01 30.24 1mm5 s GLN 20 CO 0.40 -0.26 1.77 -1.25 -0.50 0.00 0.00 175.29 175.45 1mm5 s PRO 21 N 1.77 4.03 -0.36 1.67 0.04 -1.26 -4.72 135.00 136.17 1mm5 s PRO 21 Ca 0.50 2.20 -0.02 0.00 0.04 0.00 0.00 61.00 63.72 1mm5 s PRO 21 Cb -0.20 -4.07 0.18 0.00 0.04 0.00 0.00 34.50 30.46 1mm5 s PRO 21 CO 0.21 -1.05 0.87 -2.00 0.04 0.00 0.00 177.00 175.07 1mm5 s GLU 22 N 4.43 0.44 0.54 4.56 2.12 -1.26 -5.01 118.70 124.53 1mm5 s GLU 22 Ca 0.79 -0.11 0.06 0.00 0.36 0.00 0.00 54.97 56.07 1mm5 s GLU 22 Cb -0.34 0.06 0.06 0.00 0.26 0.00 0.00 34.13 34.17 1mm5 s GLU 22 CO 0.33 -0.65 0.75 -1.01 -0.54 0.00 0.00 175.26 174.14 1mm5 s HIS 23 N 1.99 2.15 -0.38 5.30 3.76 -1.26 -4.89 115.29 121.96 1mm5 s HIS 23 Ca 0.16 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 1mm5 s HIS 23 Cb -0.00 -2.49 0.11 0.00 1.11 0.00 0.00 32.58 31.30 1mm5 s HIS 23 CO -0.12 -0.96 0.14 0.71 -0.85 0.00 0.00 174.74 173.66 1mm5 s TYR 24 N -2.66 3.66 -0.25 1.40 2.02 -0.90 -4.36 117.35 116.26 1mm5 s TYR 24 Ca 0.60 -2.68 -0.10 0.00 -0.37 0.00 0.00 57.07 54.52 1mm5 s TYR 24 Cb -0.08 -3.10 -0.05 0.00 -0.40 0.00 0.00 41.96 38.33 1mm5 s TYR 24 CO 0.38 -0.96 0.15 -0.51 -1.57 0.00 0.00 175.55 173.04 1mm5 s ASP 25 N 1.41 5.90 0.21 2.29 1.11 0.41 -1.82 116.67 126.17 1mm5 s ASP 25 Ca 0.10 0.02 -0.08 0.00 0.18 0.00 0.00 52.55 52.76 1mm5 s ASP 25 Cb -0.21 -2.08 -0.07 0.00 1.07 0.00 0.00 42.92 41.63 1mm5 s ASP 25 CO -0.06 0.01 0.50 -0.22 1.18 0.00 0.00 175.17 176.59 1mm5 s LEU 26 N 1.37 4.19 -0.06 1.23 0.20 -0.93 -1.54 118.68 123.14 1mm5 s LEU 26 Ca 0.07 0.84 -0.02 0.00 0.69 0.00 0.00 54.13 55.71 1mm5 s LEU 26 Cb -0.15 -3.58 0.03 0.00 -0.43 0.00 0.00 46.19 42.06 1mm5 s LEU 26 CO 0.07 -0.04 0.02 -0.31 -0.29 0.00 0.00 176.35 175.80 1mm5 s TYR 27 N -1.77 0.44 -0.06 5.38 1.51 0.48 -2.59 117.35 120.74 1mm5 s TYR 27 Ca 0.46 -0.01 -0.04 0.00 -1.01 0.00 0.00 57.07 56.47 1mm5 s TYR 27 Cb -0.11 -0.68 0.03 0.00 -0.11 0.00 0.00 41.96 41.09 1mm5 s TYR 27 CO 0.22 -0.27 0.15 -1.50 -1.11 0.00 0.00 175.55 173.04 1mm5 s ILE 28 N 2.01 -0.03 0.77 2.71 1.10 -1.07 -2.29 121.20 124.41 1mm5 s ILE 28 Ca 0.05 0.10 -0.11 0.00 -0.51 0.00 0.00 60.65 60.18 1mm5 s ILE 28 Cb -0.12 -0.24 0.06 0.00 0.15 0.00 0.00 42.46 42.31 1mm5 s ILE 28 CO -0.04 0.04 1.09 -2.16 -2.11 0.00 0.00 174.94 171.76 1mm5 s PRO 29 N 0.72 2.23 0.11 3.50 0.04 -1.26 -2.49 135.00 137.86 1mm5 s PRO 29 Ca -0.05 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1mm5 s PRO 29 Cb -0.07 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1mm5 s PRO 29 CO -0.04 -1.66 0.00 0.00 0.04 0.00 0.00 177.00 175.34 1mm5 n ALA 30 N -3.51 0.24 -2.96 8.56 0.00 -1.25 -4.88 120.51 116.72 1mm5 n ALA 30 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.20 1mm5 n ALA 30 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.85 1mm5 n ALA 30 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1mm5 s ILE 31 N -2.00 3.37 -0.03 0.00 -1.09 -1.21 -5.09 121.20 115.14 1mm5 s ILE 31 Ca 0.00 -0.56 -0.15 0.00 -2.23 0.00 0.00 60.65 57.71 1mm5 s ILE 31 Cb 0.00 -2.43 0.03 0.00 -1.58 0.00 0.00 42.46 38.48 1mm5 s ILE 31 CO 0.00 0.53 0.34 0.42 -1.23 0.00 0.00 174.94 174.99 1mm5 s THR 32 N 0.18 0.05 -0.12 2.92 -4.23 -1.26 -1.80 115.64 111.37 1mm5 s THR 32 Ca -0.06 -0.38 -0.02 0.00 -1.18 0.00 0.00 61.69 60.05 1mm5 s THR 32 Cb -0.15 -0.62 -0.03 0.00 1.34 0.00 0.00 72.50 73.05 1mm5 s THR 32 CO 0.04 -0.21 -0.03 0.26 -0.54 0.00 0.00 174.62 174.14 1mm5 s TRP 33 N -1.08 3.04 -0.15 3.99 0.52 -1.25 -5.03 118.94 118.97 1mm5 s TRP 33 Ca -0.11 -0.11 -0.13 0.00 0.02 0.00 0.00 56.10 55.77 1mm5 s TRP 33 Cb -0.05 -1.87 -0.05 0.00 -1.15 0.00 0.00 33.47 30.36 1mm5 s TRP 33 CO 0.04 0.16 0.28 -1.58 0.02 0.00 0.00 176.95 175.87 1mm5 s HIS 34 N -0.17 3.47 1.02 -1.98 2.46 -1.26 -4.85 115.29 113.99 1mm5 s HIS 34 Ca 0.03 0.59 -0.11 0.00 0.47 0.00 0.00 55.06 56.05 1mm5 s HIS 34 Cb -0.13 -2.31 0.20 0.00 -0.13 0.00 0.00 32.58 30.21 1mm5 s HIS 34 CO 0.02 0.28 1.09 0.00 -2.47 0.00 0.00 174.74 173.65 1mm5 n ALA 35 N 3.44 -1.65 0.00 1.58 0.00 -1.26 -4.96 120.51 117.66 1mm5 n ALA 35 Ca -0.12 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1mm5 n ALA 35 Cb 0.52 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1mm5 n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1mm5 n ARG 36 N -4.50 0.00 -1.21 0.00 1.74 -1.26 -4.92 116.66 106.52 1mm5 n ARG 36 Ca 0.08 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.87 1mm5 n ARG 36 Cb 0.53 -0.07 0.07 0.00 -1.02 0.00 0.00 32.46 31.97 1mm5 n ARG 36 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1mm5 n PHE 37 N -2.17 2.79 -2.67 -1.55 3.72 -1.26 -4.94 117.46 111.38 1mm5 n PHE 37 Ca 0.00 -2.70 -0.00 0.00 -0.05 0.00 0.00 57.45 54.69 1mm5 n PHE 37 Cb 0.00 -1.30 0.00 0.00 -0.94 0.00 0.00 39.48 37.24 1mm5 n PHE 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mm5 n ALA 38 N -0.60 0.01 -3.34 4.37 0.00 -1.26 -5.04 120.51 114.64 1mm5 n ALA 38 Ca 0.54 -0.03 -0.46 0.00 0.00 0.00 0.00 53.44 53.49 1mm5 n ALA 38 Cb 0.68 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 20.12 1mm5 n ALA 38 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1mm5 s TYR 39 N 0.61 3.94 -0.19 0.00 5.04 -1.26 -5.02 117.35 120.47 1mm5 s TYR 39 Ca 0.01 -2.26 -0.02 0.00 -2.44 0.00 0.00 57.07 52.36 1mm5 s TYR 39 Cb -0.00 -3.81 -0.00 0.00 0.35 0.00 0.00 41.96 38.50 1mm5 s TYR 39 CO 0.01 -0.97 -0.09 0.16 -1.34 0.00 0.00 175.55 173.31 1mm5 s ASP 40 N 1.81 4.00 0.10 4.32 1.47 -1.26 -4.91 116.67 122.21 1mm5 s ASP 40 Ca 0.22 -0.43 0.00 0.00 1.18 0.00 0.00 52.55 53.52 1mm5 s ASP 40 Cb -0.10 -1.66 0.00 0.00 -0.34 0.00 0.00 42.92 40.82 1mm5 s ASP 40 CO -0.09 0.02 0.00 0.29 0.68 0.00 0.00 175.17 176.07 1mm5 n LYS 41 N 4.51 0.00 -0.04 2.11 5.02 -1.26 -4.96 118.16 123.53 1mm5 n LYS 41 Ca -0.19 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.04 1mm5 n LYS 41 Cb 0.51 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.38 1mm5 n LYS 41 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1mm5 n GLU 42 N -2.74 0.66 0.24 1.97 1.02 -1.26 -4.43 120.64 116.09 1mm5 n GLU 42 Ca 0.00 0.11 -0.16 0.00 -0.02 0.00 0.00 57.16 57.09 1mm5 n GLU 42 Cb 0.00 -1.65 -0.08 0.00 -0.02 0.00 0.00 31.44 29.69 1mm5 n GLU 42 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1mm5 h LYS 43 N 0.00 -0.69 -5.08 3.49 3.64 -1.93 -3.48 116.57 112.52 1mm5 h LYS 43 Ca -0.35 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1mm5 h LYS 43 Cb 1.94 0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 33.85 1mm5 h LYS 43 CO 0.04 -0.46 -1.30 2.41 -2.27 0.00 0.00 179.45 177.87 1mm5 n THR 44 N -5.44-12.53 -4.46 1.00 -1.04 -1.26 -5.04 114.28 85.50 1mm5 n THR 44 Ca -0.10 2.33 -0.24 0.00 -2.04 0.00 0.00 64.05 64.00 1mm5 n THR 44 Cb 0.34 -6.76 -0.17 0.00 -1.82 0.00 0.00 70.33 61.93 1mm5 n THR 44 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1mm5 s ASP 45 N -1.16 1.72 0.00 8.00 1.01 -1.26 -4.90 116.67 120.07 1mm5 s ASP 45 Ca -0.14 -0.28 0.00 0.00 0.71 0.00 0.00 52.55 52.84 1mm5 s ASP 45 Cb 0.01 -0.78 0.00 0.00 1.01 0.00 0.00 42.92 43.16 1mm5 s ASP 45 CO 0.79 0.01 0.00 -2.11 0.21 0.00 0.00 175.17 174.07 1mm5 n ARG 46 N 3.96 0.00 -3.73 8.23 1.85 -1.26 -5.05 116.66 120.66 1mm5 n ARG 46 Ca -0.22 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.30 1mm5 n ARG 46 Cb 0.51 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.84 1mm5 n ARG 46 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 1mm5 s TYR 47 N -0.89 3.80 0.26 2.89 5.04 -1.26 -5.06 117.35 122.13 1mm5 s TYR 47 Ca 0.00 -3.14 0.11 0.00 -2.44 0.00 0.00 57.07 51.60 1mm5 s TYR 47 Cb 0.00 -3.06 -0.05 0.00 0.35 0.00 0.00 41.96 39.20 1mm5 s TYR 47 CO 0.00 -0.67 -0.15 -0.80 -1.34 0.00 0.00 175.55 172.59 1mm5 s ASN 48 N -0.60 3.83 0.08 4.32 -0.87 -1.26 -5.15 114.94 115.29 1mm5 s ASN 48 Ca 0.27 -0.90 0.05 0.00 -1.57 0.00 0.00 52.86 50.71 1mm5 s ASN 48 Cb -0.06 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.25 40.69 1mm5 s ASN 48 CO -0.14 0.04 -0.14 -1.83 -2.57 0.00 0.00 177.10 172.47 1mm5 s GLU 49 N -3.41 0.83 -0.41 -0.60 -1.05 -1.26 -5.12 118.70 107.67 1mm5 s GLU 49 Ca 0.29 -0.99 0.07 0.00 -0.15 0.00 0.00 54.97 54.19 1mm5 s GLU 49 Cb -0.06 -0.79 0.17 0.00 -0.44 0.00 0.00 34.13 33.01 1mm5 s GLU 49 CO 0.16 0.17 0.57 0.50 0.95 0.00 0.00 175.26 177.61 1mm5 s ARG 50 N -1.89 0.81 0.38 -4.83 6.06 -1.26 -5.07 118.95 113.15 1mm5 s ARG 50 Ca -0.01 -0.56 -0.26 0.00 -2.50 0.00 0.00 55.73 52.40 1mm5 s ARG 50 Cb -0.09 -0.16 -0.09 0.00 0.06 0.00 0.00 34.95 34.67 1mm5 s ARG 50 CO 0.02 -1.21 1.20 -1.25 -2.50 0.00 0.00 175.30 171.56 1mm5 s PRO 51 N 1.58 4.15 0.58 5.12 0.04 -1.26 -4.80 135.00 140.41 1mm5 s PRO 51 Ca 0.18 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1mm5 s PRO 51 Cb -0.06 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1mm5 s PRO 51 CO -0.06 -0.27 0.00 1.87 0.04 0.00 0.00 177.00 178.58 1mm5 n TRP 52 N 0.32 -3.78 0.00 0.56 -0.00 -1.26 -4.20 117.44 109.08 1mm5 n TRP 52 Ca 0.03 2.08 0.00 0.00 -0.00 0.00 0.00 57.50 59.61 1mm5 n TRP 52 Cb 0.45 -3.36 0.00 0.00 -0.00 0.00 0.00 31.31 28.40 1mm5 n TRP 52 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1mm5 n GLY 53 N -3.65 0.81 3.11 5.87 0.00 -1.26 -4.30 105.19 105.76 1mm5 n GLY 53 Ca -0.06 0.28 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 1mm5 n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mm5 s GLY 54 N 0.00 0.64 -0.07 -0.02 0.00 -1.07 -4.97 107.32 101.83 1mm5 s GLY 54 Ca 0.00 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.83 1mm5 s GLY 54 CO 0.00 -0.98 -0.16 -0.32 0.00 0.00 0.00 173.10 171.63 1mm5 s GLY 55 N -1.89 1.48 -0.19 0.20 0.00 -0.97 -2.22 107.32 103.73 1mm5 s GLY 55 Ca -0.04 -0.98 -0.08 0.00 0.00 0.00 0.00 44.72 43.62 1mm5 s GLY 55 CO 0.00 -0.62 0.42 -0.11 0.00 0.00 0.00 173.10 172.80 1mm5 s PHE 56 N -0.37 -0.71 0.00 1.90 -0.12 0.47 -0.38 117.98 118.77 1mm5 s PHE 56 Ca 0.03 1.43 0.00 0.00 -0.05 0.00 0.00 56.93 58.34 1mm5 s PHE 56 Cb -0.12 0.30 0.00 0.00 -0.63 0.00 0.00 43.02 42.56 1mm5 s PHE 56 CO 0.02 -0.42 0.00 0.41 -0.05 0.00 0.00 175.22 175.19 1mm5 n GLY 57 N 4.81 3.49 3.27 1.99 0.00 -0.59 -1.35 105.19 116.81 1mm5 n GLY 57 Ca -0.16 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 1mm5 n GLY 57 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1mm5 s LEU 58 N 0.00 1.00 0.26 0.99 0.05 -0.89 -0.45 118.68 119.65 1mm5 s LEU 58 Ca 0.00 -1.31 -0.21 0.00 0.05 0.00 0.00 54.13 52.66 1mm5 s LEU 58 Cb 0.00 0.63 0.05 0.00 -2.05 0.00 0.00 46.19 44.83 1mm5 s LEU 58 CO 0.00 -0.90 0.87 -0.94 -0.55 0.00 0.00 176.35 174.83 1mm5 s SER 59 N -3.14 -0.11 0.17 1.48 1.04 -1.26 -1.57 113.70 110.32 1mm5 s SER 59 Ca 0.36 -0.73 -0.16 0.00 0.48 0.00 0.00 55.95 55.91 1mm5 s SER 59 Cb 0.06 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.85 1mm5 s SER 59 CO 0.12 -1.26 0.45 0.00 0.98 0.00 0.00 173.24 173.53 1mm5 s ARG 60 N -2.92 1.26 -0.08 4.02 1.70 -0.27 -4.43 118.95 118.22 1mm5 s ARG 60 Ca 0.15 -0.87 -0.02 0.00 -0.47 0.00 0.00 55.73 54.52 1mm5 s ARG 60 Cb -0.04 0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 34.79 1mm5 s ARG 60 CO 0.07 -0.51 0.01 -1.58 -1.08 0.00 0.00 175.30 172.20 1mm5 s TRP 61 N -3.87 3.17 -0.03 5.89 0.51 -1.26 -2.59 118.94 120.76 1mm5 s TRP 61 Ca 0.09 0.19 -0.13 0.00 -2.12 0.00 0.00 56.10 54.14 1mm5 s TRP 61 Cb 0.00 -1.78 -0.05 0.00 -0.81 0.00 0.00 33.47 30.83 1mm5 s TRP 61 CO -0.05 0.48 0.34 0.34 -0.51 0.00 0.00 176.95 177.55 1mm5 s ASP 62 N -0.97 6.70 0.63 2.95 3.68 0.45 -4.94 116.67 125.17 1mm5 s ASP 62 Ca 0.14 0.84 0.30 0.00 2.13 0.00 0.00 52.55 55.96 1mm5 s ASP 62 Cb -0.11 -2.20 1.65 0.00 -1.45 0.00 0.00 42.92 40.80 1mm5 s ASP 62 CO 0.03 0.34 1.99 -0.08 0.13 0.00 0.00 175.17 177.58 1mm5 h GLU 63 N 4.75 0.00 -1.18 4.34 4.22 -1.99 -0.16 114.58 124.56 1mm5 h GLU 63 Ca -0.52 0.00 -0.39 0.00 0.08 0.00 0.00 59.36 58.53 1mm5 h GLU 63 Cb 1.22 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.28 1mm5 h GLU 63 CO 0.61 0.00 0.50 1.17 -2.18 0.00 0.00 179.01 179.11 1mm5 n LYS 64 N -3.34 1.96 -3.58 1.92 0.00 -1.26 -4.85 118.16 109.00 1mm5 n LYS 64 Ca 0.02 -2.05 -0.19 0.00 0.00 0.00 0.00 58.31 56.08 1mm5 n LYS 64 Cb 0.43 -1.80 0.06 0.00 0.00 0.00 0.00 35.03 33.71 1mm5 n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mm5 n GLY 65 N -0.32 -0.34 3.43 3.14 0.00 -0.09 -5.01 105.19 106.00 1mm5 n GLY 65 Ca 0.40 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 46.32 1mm5 n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mm5 s ASN 66 N -4.34 3.29 -0.20 1.61 3.84 -1.08 -4.18 114.94 113.87 1mm5 s ASN 66 Ca 0.01 -1.01 -0.04 0.00 0.21 0.00 0.00 52.86 52.03 1mm5 s ASN 66 Cb -0.00 -0.25 0.07 0.00 -0.55 0.00 0.00 41.25 40.51 1mm5 s ASN 66 CO 0.78 -0.01 0.07 0.86 -2.79 0.00 0.00 177.10 176.00 1mm5 s TRP 67 N -2.58 0.70 0.07 0.43 -0.00 -0.85 -0.41 118.94 116.29 1mm5 s TRP 67 Ca 0.27 -0.71 0.03 0.00 -0.00 0.00 0.00 56.10 55.69 1mm5 s TRP 67 Cb -0.04 -0.93 -0.03 0.00 -0.00 0.00 0.00 33.47 32.47 1mm5 s TRP 67 CO 0.12 -0.61 -0.10 -3.38 -0.00 0.00 0.00 176.95 172.99 1mm5 s HIS 68 N 1.97 0.90 0.00 5.86 -3.43 -1.07 -1.53 115.29 117.98 1mm5 s HIS 68 Ca 0.02 -0.56 0.00 0.00 -0.80 0.00 0.00 55.06 53.71 1mm5 s HIS 68 Cb -0.17 -0.51 0.00 0.00 -1.43 0.00 0.00 32.58 30.47 1mm5 s HIS 68 CO -0.12 -0.04 0.00 0.41 -2.00 0.00 0.00 174.74 172.99 1mm5 n GLY 69 N 1.09 0.73 3.95 -1.38 0.00 -1.07 -1.12 105.19 107.39 1mm5 n GLY 69 Ca -0.20 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 1mm5 n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mm5 s LEU 70 N 0.00 3.80 -0.06 0.99 1.43 -0.61 -0.81 118.68 123.42 1mm5 s LEU 70 Ca 0.00 -0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1mm5 s LEU 70 Cb 0.00 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.70 1mm5 s LEU 70 CO 0.00 -0.46 0.05 -0.31 0.23 0.00 0.00 176.35 175.86 1mm5 s TYR 71 N -2.25 0.20 -0.40 0.29 2.02 -0.76 -2.09 117.35 114.37 1mm5 s TYR 71 Ca 0.45 0.10 -0.14 0.00 -0.37 0.00 0.00 57.07 57.11 1mm5 s TYR 71 Cb -0.08 -0.57 0.02 0.00 -0.40 0.00 0.00 41.96 40.93 1mm5 s TYR 71 CO 0.30 -0.26 0.27 0.00 -1.57 0.00 0.00 175.55 174.29 1mm5 s ALA 72 N 2.13 3.42 -0.07 3.71 0.00 -0.45 -2.61 121.76 127.89 1mm5 s ALA 72 Ca 0.05 -1.73 0.03 0.00 0.00 0.00 0.00 51.96 50.30 1mm5 s ALA 72 Cb -0.13 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 1mm5 s ALA 72 CO -0.04 -1.45 -0.15 -1.64 0.00 0.00 0.00 175.76 172.48 1mm5 s MET 73 N 1.64 2.70 -0.07 0.00 -1.94 -0.76 -0.39 119.30 120.48 1mm5 s MET 73 Ca 0.04 -0.72 0.04 0.00 -1.71 0.00 0.00 55.69 53.34 1mm5 s MET 73 Cb -0.19 -2.41 0.00 0.00 2.01 0.00 0.00 34.83 34.24 1mm5 s MET 73 CO 0.09 0.50 -0.19 0.00 -0.01 0.00 0.00 175.02 175.41 1mm5 s ALA 74 N -0.42 1.77 -0.16 3.03 0.00 -0.94 -1.54 121.76 123.49 1mm5 s ALA 74 Ca 0.05 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1mm5 s ALA 74 Cb -0.12 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.37 1mm5 s ALA 74 CO 0.02 0.25 -0.10 0.12 0.00 0.00 0.00 175.76 176.05 1mm5 s PHE 75 N 0.30 2.04 -0.16 0.00 2.19 -1.07 -2.61 117.98 118.67 1mm5 s PHE 75 Ca -0.12 -1.23 -0.14 0.00 0.33 0.00 0.00 56.93 55.76 1mm5 s PHE 75 Cb -0.15 -1.50 -0.05 0.00 -1.31 0.00 0.00 43.02 40.01 1mm5 s PHE 75 CO 0.05 -0.66 0.31 0.21 1.83 0.00 0.00 175.22 176.96 1mm5 s LYS 76 N 1.52 4.27 0.53 10.12 2.20 -1.26 -1.62 119.74 135.51 1mm5 s LYS 76 Ca 0.02 0.12 0.01 0.00 -0.36 0.00 0.00 55.97 55.77 1mm5 s LYS 76 Cb -0.14 -3.43 0.01 0.00 -1.51 0.00 0.00 37.83 32.75 1mm5 s LYS 76 CO -0.09 0.22 0.08 -0.51 -0.36 0.00 0.00 175.35 174.69 1mm5 s ASP 77 N 0.50 4.25 0.18 1.43 -0.00 0.44 -4.31 116.67 119.17 1mm5 s ASP 77 Ca 0.17 -1.62 0.06 0.00 -0.00 0.00 0.00 52.55 51.16 1mm5 s ASP 77 Cb -0.13 0.64 0.03 0.00 -0.00 0.00 0.00 42.92 43.46 1mm5 s ASP 77 CO 0.04 -0.96 1.41 0.28 -0.00 0.00 0.00 175.17 175.94 1mm5 h SER 78 N 1.18 0.09 0.00 0.27 0.02 -1.96 -3.38 113.55 109.76 1mm5 h SER 78 Ca -0.43 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.33 1mm5 h SER 78 Cb 1.32 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 1mm5 h SER 78 CO 0.70 0.89 -1.47 1.87 -1.14 0.00 0.00 176.83 177.68 1mm5 n TRP 79 N -3.59 0.00 -3.37 3.45 -0.00 -1.26 -4.96 117.44 107.70 1mm5 n TRP 79 Ca -0.02 0.00 -0.40 0.00 -0.00 0.00 0.00 57.50 57.09 1mm5 n TRP 79 Cb 0.80 -0.32 -0.09 0.00 -0.00 0.00 0.00 31.31 31.69 1mm5 n TRP 79 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1mm5 s ASN 80 N -4.41 6.26 0.53 5.87 -0.87 -1.26 -5.07 114.94 115.98 1mm5 s ASN 80 Ca -0.08 0.19 0.00 0.00 -1.57 0.00 0.00 52.86 51.40 1mm5 s ASN 80 Cb 0.03 -2.22 0.00 0.00 -0.02 0.00 0.00 41.25 39.04 1mm5 s ASN 80 CO 0.22 -0.24 0.00 1.17 -2.57 0.00 0.00 177.10 175.68 1mm5 n LYS 81 N 5.39 -0.53 -1.68 -0.60 4.81 -1.26 -0.42 118.16 123.88 1mm5 n LYS 81 Ca -0.08 0.00 -0.47 0.00 -0.87 0.00 0.00 58.31 56.89 1mm5 n LYS 81 Cb 0.50 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.51 1mm5 n LYS 81 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1mm5 n TRP 82 N -2.00 2.32 -3.53 5.64 8.01 -1.26 -4.19 117.44 122.44 1mm5 n TRP 82 Ca 0.00 0.09 -0.41 0.00 -1.31 0.00 0.00 57.50 55.87 1mm5 n TRP 82 Cb 0.00 -2.62 -0.08 0.00 -2.01 0.00 0.00 31.31 26.60 1mm5 n TRP 82 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.69 174.68 1mm5 s GLU 83 N 2.71 2.59 0.47 -0.99 2.12 -0.64 -4.86 118.70 120.11 1mm5 s GLU 83 Ca 0.86 -1.85 -0.20 0.00 0.36 0.00 0.00 54.97 54.15 1mm5 s GLU 83 Cb -0.67 -3.98 -0.09 0.00 0.26 0.00 0.00 34.13 29.65 1mm5 s GLU 83 CO 0.45 -1.21 1.00 -1.25 -0.54 0.00 0.00 175.26 173.70 1mm5 s PRO 84 N 1.23 3.96 -0.21 4.30 0.04 -1.25 -2.60 135.00 140.47 1mm5 s PRO 84 Ca 0.07 1.20 -0.09 0.00 0.04 0.00 0.00 61.00 62.21 1mm5 s PRO 84 Cb -0.25 -2.13 0.08 0.00 0.04 0.00 0.00 34.50 32.24 1mm5 s PRO 84 CO -0.01 -0.27 0.47 -1.50 0.04 0.00 0.00 177.00 175.73 1mm5 s ILE 85 N -2.18 -0.38 -0.22 0.56 2.07 -0.59 -2.59 121.20 117.87 1mm5 s ILE 85 Ca 0.64 0.10 -0.02 0.00 -1.41 0.00 0.00 60.65 59.96 1mm5 s ILE 85 Cb -0.12 -0.72 0.01 0.00 0.13 0.00 0.00 42.46 41.75 1mm5 s ILE 85 CO 0.20 0.04 -0.08 0.00 -1.91 0.00 0.00 174.94 173.19 1mm5 s ALA 86 N 2.08 2.66 -0.05 1.50 0.00 -1.07 -1.82 121.76 125.07 1mm5 s ALA 86 Ca -0.06 -1.31 0.06 0.00 0.00 0.00 0.00 51.96 50.65 1mm5 s ALA 86 Cb -0.10 -1.59 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 1mm5 s ALA 86 CO -0.14 -0.58 -0.22 0.20 0.00 0.00 0.00 175.76 175.02 1mm5 s GLY 87 N 1.37 1.13 -0.44 0.00 0.00 -1.07 -2.39 107.32 105.93 1mm5 s GLY 87 Ca 0.03 -0.90 -0.21 0.00 0.00 0.00 0.00 44.72 43.64 1mm5 s GLY 87 CO -0.06 -0.56 0.63 -0.47 0.00 0.00 0.00 173.10 172.65 1mm5 s TYR 88 N -0.14 3.07 -0.21 1.90 6.14 0.25 -1.82 117.35 126.55 1mm5 s TYR 88 Ca -0.02 -0.07 -0.14 0.00 0.64 0.00 0.00 57.07 57.48 1mm5 s TYR 88 Cb -0.12 -3.33 -0.04 0.00 0.42 0.00 0.00 41.96 38.89 1mm5 s TYR 88 CO 0.03 -0.86 0.31 0.20 0.64 0.00 0.00 175.55 175.87 1mm5 s GLY 89 N 1.99 2.07 -0.24 8.97 0.00 0.01 -2.59 107.32 117.53 1mm5 s GLY 89 Ca 0.22 -0.62 0.02 0.00 0.00 0.00 0.00 44.72 44.34 1mm5 s GLY 89 CO 0.19 0.65 -0.12 0.86 0.00 0.00 0.00 173.10 174.68 1mm5 s TRP 90 N 1.14 3.03 0.04 1.90 -0.11 0.04 -2.59 118.94 122.38 1mm5 s TRP 90 Ca 0.15 -2.10 -0.01 0.00 1.22 0.00 0.00 56.10 55.36 1mm5 s TRP 90 Cb -0.14 -1.87 -0.03 0.00 -1.50 0.00 0.00 33.47 29.93 1mm5 s TRP 90 CO 0.06 -0.85 -0.02 -1.21 -4.62 0.00 0.00 176.95 170.32 1mm5 s GLU 91 N 1.19 0.48 -0.11 5.86 2.02 -0.59 -1.44 118.70 126.10 1mm5 s GLU 91 Ca -0.06 -0.91 -0.14 0.00 0.02 0.00 0.00 54.97 53.88 1mm5 s GLU 91 Cb -0.18 0.17 -0.05 0.00 0.10 0.00 0.00 34.13 34.17 1mm5 s GLU 91 CO -0.07 -0.09 0.34 0.45 0.02 0.00 0.00 175.26 175.92 1mm5 s SER 92 N -2.21 6.56 0.26 -0.19 0.15 -0.22 -2.01 113.70 116.04 1mm5 s SER 92 Ca -0.04 0.66 -0.19 0.00 0.70 0.00 0.00 55.95 57.08 1mm5 s SER 92 Cb -0.01 -2.21 -0.09 0.00 -1.71 0.00 0.00 66.02 62.01 1mm5 s SER 92 CO -0.06 0.16 0.75 -0.89 1.20 0.00 0.00 173.24 174.41 1mm5 s THR 93 N 0.01 4.56 -0.03 6.45 2.01 -1.26 -2.60 115.64 124.78 1mm5 s THR 93 Ca 0.20 1.25 -0.05 0.00 0.31 0.00 0.00 61.69 63.39 1mm5 s THR 93 Cb -0.14 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.58 1mm5 s THR 93 CO 0.07 0.08 0.13 0.26 -0.69 0.00 0.00 174.62 174.47 1mm5 s TRP 94 N -1.67 -0.08 -0.51 4.92 0.51 -0.52 -4.97 118.94 116.62 1mm5 s TRP 94 Ca 0.47 0.19 -0.18 0.00 -2.12 0.00 0.00 56.10 54.46 1mm5 s TRP 94 Cb -0.15 0.01 0.07 0.00 -0.81 0.00 0.00 33.47 32.60 1mm5 s TRP 94 CO 0.20 -0.13 0.57 1.03 -0.51 0.00 0.00 176.95 178.10 1mm5 s ARG 95 N -0.39 3.06 0.36 4.98 0.52 -1.26 -2.59 118.95 123.64 1mm5 s ARG 95 Ca -0.05 -1.15 -0.06 0.00 -0.52 0.00 0.00 55.73 53.96 1mm5 s ARG 95 Cb -0.03 -4.15 0.09 0.00 0.52 0.00 0.00 34.95 31.38 1mm5 s ARG 95 CO 0.00 -1.23 0.31 -0.35 0.02 0.00 0.00 175.30 174.05 1mm5 n PRO 96 N 5.88 -1.77 -0.03 3.54 -0.04 -1.26 -4.86 135.00 136.45 1mm5 n PRO 96 Ca -0.09 -0.49 -0.10 0.00 -0.04 0.00 0.00 63.50 62.78 1mm5 n PRO 96 Cb 0.44 -0.48 -0.04 0.00 -0.04 0.00 0.00 33.50 33.39 1mm5 n PRO 96 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1mm5 h LEU 97 N 0.00 0.15 0.15 1.53 6.46 -1.97 -3.02 115.31 118.61 1mm5 h LEU 97 Ca -0.12 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.64 1mm5 h LEU 97 Cb 0.36 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.26 1mm5 h LEU 97 CO 0.08 0.11 -0.10 0.00 -0.62 0.00 0.00 178.44 177.91 1mm5 h ALA 98 N 1.08 -0.23 -3.31 1.25 0.00 -1.92 -3.49 119.26 112.65 1mm5 h ALA 98 Ca 0.07 -0.04 0.39 0.00 0.00 0.00 0.00 54.91 55.32 1mm5 h ALA 98 Cb 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 17.79 1mm5 h ALA 98 CO -0.04 -0.64 -0.70 -3.47 0.00 0.00 0.00 179.25 174.41 1mm5 n ASP 99 N -5.21 -8.68 0.00 0.00 4.64 -1.14 -4.69 116.55 101.47 1mm5 n ASP 99 Ca -0.08 0.78 0.00 0.00 -1.38 0.00 0.00 54.79 54.11 1mm5 n ASP 99 Cb 0.13 -4.55 0.00 0.00 -1.04 0.00 0.00 41.12 35.67 1mm5 n ASP 99 CO 0.00 0.00 0.00 1.21 -0.82 0.00 0.00 177.20 177.59 1mm5 n GLU 100 N -4.28 0.00 -0.10 -0.67 2.13 -1.26 -2.84 120.64 113.62 1mm5 n GLU 100 Ca -0.01 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.62 1mm5 n GLU 100 Cb 0.68 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.28 1mm5 n GLU 100 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1mm5 h ASN 101 N 0.00 0.00 -3.50 4.31 4.21 -1.96 -3.45 115.58 115.19 1mm5 h ASN 101 Ca 0.00 -0.51 -0.52 0.00 1.21 0.00 0.00 56.30 56.48 1mm5 h ASN 101 Cb 0.00 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1mm5 h ASN 101 CO 0.00 1.36 0.52 0.12 -1.29 0.00 0.00 177.43 178.14 1mm5 s PHE 102 N -2.32 3.50 0.04 1.19 2.19 -1.13 -1.03 117.98 120.41 1mm5 s PHE 102 Ca -0.26 1.49 -0.01 0.00 0.33 0.00 0.00 56.93 58.48 1mm5 s PHE 102 Cb 0.04 -3.36 -0.03 0.00 -1.31 0.00 0.00 43.02 38.36 1mm5 s PHE 102 CO 0.56 -0.95 -0.02 -3.38 1.83 0.00 0.00 175.22 173.26 1mm5 s HIS 103 N -0.04 0.40 0.10 10.12 -3.43 -0.72 -3.64 115.29 118.07 1mm5 s HIS 103 Ca 0.52 -0.82 -0.01 0.00 -0.80 0.00 0.00 55.06 53.95 1mm5 s HIS 103 Cb -0.31 -0.29 -0.04 0.00 -1.43 0.00 0.00 32.58 30.51 1mm5 s HIS 103 CO 0.35 -0.31 0.01 -0.51 -2.00 0.00 0.00 174.74 172.29 1mm5 s LEU 104 N -2.32 2.11 -0.17 5.38 1.43 -1.07 -2.59 118.68 121.44 1mm5 s LEU 104 Ca -0.02 -1.12 -0.34 0.00 -1.03 0.00 0.00 54.13 51.62 1mm5 s LEU 104 Cb 0.01 0.21 0.14 0.00 0.03 0.00 0.00 46.19 46.57 1mm5 s LEU 104 CO -0.06 -0.65 1.17 -0.83 0.23 0.00 0.00 176.35 176.21 1mm5 s GLY 105 N -3.01 -0.29 -0.13 -3.19 0.00 0.44 -1.43 107.32 99.71 1mm5 s GLY 105 Ca 0.17 1.62 -0.12 0.00 0.00 0.00 0.00 44.72 46.39 1mm5 s GLY 105 CO -0.03 0.56 0.34 -2.27 0.00 0.00 0.00 173.10 171.70 1mm5 s LEU 106 N -2.11 0.70 0.00 0.66 1.98 -1.07 -2.57 118.68 116.27 1mm5 s LEU 106 Ca 0.08 0.67 0.00 0.00 -2.89 0.00 0.00 54.13 52.00 1mm5 s LEU 106 Cb -0.01 1.17 0.00 0.00 0.66 0.00 0.00 46.19 48.01 1mm5 s LEU 106 CO -0.05 -0.12 0.00 0.61 -1.89 0.00 0.00 176.35 174.90 1mm5 n GLY 107 N 2.87 -0.59 3.42 7.98 0.00 -1.07 -1.05 105.19 116.75 1mm5 n GLY 107 Ca -0.13 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 1mm5 n GLY 107 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mm5 s PHE 108 N -3.00 1.94 -0.14 1.61 0.40 -0.52 -2.41 117.98 115.86 1mm5 s PHE 108 Ca 0.00 -0.65 -0.04 0.00 -0.60 0.00 0.00 56.93 55.64 1mm5 s PHE 108 Cb 0.00 -1.06 0.05 0.00 0.51 0.00 0.00 43.02 42.52 1mm5 s PHE 108 CO 0.00 0.33 0.08 0.99 0.70 0.00 0.00 175.22 177.31 1mm5 s THR 109 N -2.96 -0.02 -0.11 0.64 2.01 -0.33 -0.78 115.64 114.09 1mm5 s THR 109 Ca 0.28 -0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.26 1mm5 s THR 109 Cb 0.02 -0.52 -0.00 0.00 0.01 0.00 0.00 72.50 72.01 1mm5 s THR 109 CO 0.11 -0.15 -0.22 0.00 -0.69 0.00 0.00 174.62 173.67 1mm5 s ALA 110 N 2.11 2.25 0.33 7.40 0.00 -1.07 -1.62 121.76 131.17 1mm5 s ALA 110 Ca 0.02 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1mm5 s ALA 110 Cb -0.15 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 1mm5 s ALA 110 CO -0.07 0.24 0.39 0.41 0.00 0.00 0.00 175.76 176.73 1mm5 n GLY 111 N 3.60 2.45 3.04 0.00 0.00 -0.49 -0.58 105.19 113.21 1mm5 n GLY 111 Ca -0.19 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 1mm5 n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mm5 s VAL 112 N -2.98 0.10 -0.21 1.61 -7.23 -1.00 -0.41 120.40 110.27 1mm5 s VAL 112 Ca 0.32 -0.86 -0.11 0.00 -1.81 0.00 0.00 61.98 59.52 1mm5 s VAL 112 Cb 0.00 -0.38 -0.05 0.00 0.56 0.00 0.00 36.38 36.51 1mm5 s VAL 112 CO 0.23 -0.47 0.19 -0.89 -0.31 0.00 0.00 175.10 173.85 1mm5 s THR 113 N -1.54 5.35 -0.11 5.32 2.01 -0.81 -2.59 115.64 123.27 1mm5 s THR 113 Ca -0.15 0.28 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 1mm5 s THR 113 Cb -0.08 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 1mm5 s THR 113 CO -0.00 0.37 0.03 0.00 -0.69 0.00 0.00 174.62 174.33 1mm5 s ALA 114 N 0.80 3.38 0.22 7.40 0.00 -1.07 -2.09 121.76 130.40 1mm5 s ALA 114 Ca 0.10 -0.77 -0.15 0.00 0.00 0.00 0.00 51.96 51.14 1mm5 s ALA 114 Cb -0.13 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.38 1mm5 s ALA 114 CO 0.03 0.52 0.50 0.50 0.00 0.00 0.00 175.76 177.31 1mm5 s ARG 115 N -0.68 1.47 0.00 0.00 3.52 -1.26 -4.09 118.95 117.91 1mm5 s ARG 115 Ca 0.11 -1.07 0.00 0.00 -0.13 0.00 0.00 55.73 54.64 1mm5 s ARG 115 Cb -0.12 0.49 0.00 0.00 -1.56 0.00 0.00 34.95 33.77 1mm5 s ARG 115 CO 0.02 -0.62 0.00 -3.47 -0.81 0.00 0.00 175.30 170.43 1mm5 n ASP 116 N -0.36 0.00 -0.98 -2.12 2.03 -1.26 -2.29 116.55 111.57 1mm5 n ASP 116 Ca -0.06 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.28 1mm5 n ASP 116 Cb 0.62 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 41.05 1mm5 n ASP 116 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1mm5 n ASN 117 N 1.81 0.75 -2.99 1.67 4.13 -1.26 -4.98 115.26 114.38 1mm5 n ASN 117 Ca 0.00 -2.20 -0.22 0.00 1.68 0.00 0.00 54.58 53.84 1mm5 n ASN 117 Cb 0.00 -0.29 0.02 0.00 -1.54 0.00 0.00 39.78 37.98 1mm5 n ASN 117 CO 0.00 0.00 0.00 1.87 0.28 0.00 0.00 177.26 179.41 1mm5 n TRP 118 N 0.09 -1.84 0.00 3.10 -0.00 -0.97 -4.36 117.44 113.46 1mm5 n TRP 118 Ca 0.05 0.45 0.00 0.00 -0.00 0.00 0.00 57.50 58.00 1mm5 n TRP 118 Cb 0.92 -4.18 0.00 0.00 -0.00 0.00 0.00 31.31 28.06 1mm5 n TRP 118 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1mm5 n ASN 119 N -2.42 0.00 -0.32 5.87 2.85 -1.25 -4.81 115.26 115.18 1mm5 n ASN 119 Ca -0.11 0.00 0.18 0.00 -0.11 0.00 0.00 54.58 54.54 1mm5 n ASN 119 Cb 0.62 0.00 0.38 0.00 1.24 0.00 0.00 39.78 42.01 1mm5 n ASN 119 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1mm5 h TYR 120 N 0.00 0.66 -2.77 1.20 3.20 -1.76 -3.30 116.97 114.21 1mm5 h TYR 120 Ca 0.00 0.04 -0.58 0.00 3.14 0.00 0.00 58.73 61.33 1mm5 h TYR 120 Cb 0.00 -0.14 -0.40 0.00 1.54 0.00 0.00 36.73 37.73 1mm5 h TYR 120 CO 0.00 -0.17 -0.80 -1.50 -1.64 0.00 0.00 178.16 174.05 1mm5 s ILE 121 N -5.81 0.46 0.41 1.81 1.10 -1.25 -5.04 121.20 112.89 1mm5 s ILE 121 Ca -0.11 -1.70 -0.18 0.00 -0.51 0.00 0.00 60.65 58.16 1mm5 s ILE 121 Cb 0.28 -1.34 -0.10 0.00 0.15 0.00 0.00 42.46 41.45 1mm5 s ILE 121 CO 0.78 -0.89 0.88 -2.16 -2.11 0.00 0.00 174.94 171.44 1mm5 s PRO 122 N 1.15 4.08 -0.44 3.50 0.04 -1.24 -3.99 135.00 138.10 1mm5 s PRO 122 Ca 0.15 0.91 0.02 0.00 0.04 0.00 0.00 61.00 62.13 1mm5 s PRO 122 Cb -0.22 -2.27 0.15 0.00 0.04 0.00 0.00 34.50 32.21 1mm5 s PRO 122 CO -0.08 -0.01 0.28 -0.51 0.04 0.00 0.00 177.00 176.72 1mm5 s LEU 123 N -3.31 2.32 0.37 -3.56 1.43 -0.89 -4.87 118.68 110.18 1mm5 s LEU 123 Ca 0.58 -2.76 -0.28 0.00 -1.03 0.00 0.00 54.13 50.65 1mm5 s LEU 123 Cb -0.10 -0.85 -0.11 0.00 0.03 0.00 0.00 46.19 45.16 1mm5 s LEU 123 CO 0.18 -0.24 1.46 -2.84 0.23 0.00 0.00 176.35 175.14 1mm5 s PRO 124 N 0.25 4.15 -0.19 1.29 0.02 -1.26 -1.93 135.00 137.32 1mm5 s PRO 124 Ca 0.21 2.51 -0.05 0.00 0.02 0.00 0.00 61.00 63.70 1mm5 s PRO 124 Cb -0.16 -2.99 0.10 0.00 0.02 0.00 0.00 34.50 31.47 1mm5 s PRO 124 CO -0.05 -0.47 0.35 0.08 -0.33 0.00 0.00 177.00 176.58 1mm5 s VAL 125 N -1.12 -0.55 -0.19 3.83 1.01 0.45 -4.96 120.40 118.86 1mm5 s VAL 125 Ca 0.52 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 1mm5 s VAL 125 Cb -0.45 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1mm5 s VAL 125 CO 0.61 0.01 -0.08 -0.76 0.00 0.00 0.00 175.10 174.88 1mm5 s LEU 126 N 2.52 2.80 -0.14 3.92 1.43 -1.26 -1.40 118.68 126.56 1mm5 s LEU 126 Ca 0.04 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1mm5 s LEU 126 Cb -0.13 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.44 1mm5 s LEU 126 CO -0.12 0.04 0.36 -1.48 0.23 0.00 0.00 176.35 175.38 1mm5 s LEU 127 N 1.08 0.46 0.35 1.79 2.34 -0.64 -5.02 118.68 119.05 1mm5 s LEU 127 Ca 0.01 0.74 -0.26 0.00 0.06 0.00 0.00 54.13 54.68 1mm5 s LEU 127 Cb -0.15 1.22 -0.09 0.00 -0.56 0.00 0.00 46.19 46.61 1mm5 s LEU 127 CO -0.01 -0.14 1.08 -2.16 -1.06 0.00 0.00 176.35 174.05 1mm5 s PRO 128 N 0.52 4.34 0.05 1.48 0.04 -1.26 -1.18 135.00 138.99 1mm5 s PRO 128 Ca -0.03 1.65 0.01 0.00 0.04 0.00 0.00 61.00 62.67 1mm5 s PRO 128 Cb -0.04 -2.81 -0.03 0.00 0.04 0.00 0.00 34.50 31.65 1mm5 s PRO 128 CO -0.03 -0.02 -0.05 -0.51 0.04 0.00 0.00 177.00 176.43 1mm5 s LEU 129 N -2.15 2.38 -0.00 -3.56 1.43 -1.01 -2.60 118.68 113.16 1mm5 s LEU 129 Ca 0.52 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1mm5 s LEU 129 Cb -0.27 0.01 -0.00 0.00 0.03 0.00 0.00 46.19 45.97 1mm5 s LEU 129 CO 0.34 -0.40 -0.01 0.00 0.23 0.00 0.00 176.35 176.51 1mm5 s ALA 130 N -2.64 0.10 -0.32 4.21 0.00 -0.94 -2.58 121.76 119.58 1mm5 s ALA 130 Ca -0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 51.96 51.80 1mm5 s ALA 130 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1mm5 s ALA 130 CO -0.04 0.02 0.16 0.45 0.00 0.00 0.00 175.76 176.35 1mm5 s SER 131 N -0.01 5.56 -0.10 0.00 0.15 -1.06 -2.58 113.70 115.66 1mm5 s SER 131 Ca 0.00 -0.65 -0.04 0.00 0.70 0.00 0.00 55.95 55.96 1mm5 s SER 131 Cb -0.01 -2.00 0.05 0.00 -1.71 0.00 0.00 66.02 62.36 1mm5 s SER 131 CO -0.00 -0.24 0.20 0.54 1.20 0.00 0.00 173.24 174.94 1mm5 s VAL 132 N 1.59 -0.25 -0.42 4.45 0.11 -0.39 -0.42 120.40 125.07 1mm5 s VAL 132 Ca 0.04 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1mm5 s VAL 132 Cb -0.18 -0.35 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 1mm5 s VAL 132 CO 0.06 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.56 1mm5 n GLY 133 N 5.00 -0.50 3.43 6.54 0.00 -1.07 -0.53 105.19 118.07 1mm5 n GLY 133 Ca -0.12 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 1mm5 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mm5 s TYR 134 N -4.00 2.35 0.24 1.61 2.02 0.49 -1.76 117.35 118.30 1mm5 s TYR 134 Ca 0.00 -0.35 -0.12 0.00 -0.37 0.00 0.00 57.07 56.23 1mm5 s TYR 134 Cb 0.00 -1.20 0.32 0.00 -0.40 0.00 0.00 41.96 40.67 1mm5 s TYR 134 CO 0.00 0.44 1.59 0.78 -1.57 0.00 0.00 175.55 176.79 1mm5 h GLY 135 N 3.43 0.47 2.00 0.71 0.00 -1.39 0.16 103.07 108.45 1mm5 h GLY 135 Ca -0.48 0.31 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 1mm5 h GLY 135 CO 0.45 -0.29 -0.41 -0.56 0.00 0.00 0.00 176.54 175.73 1mm5 h PRO 136 N -0.02 0.00 -2.57 4.80 0.13 -1.94 -3.41 132.00 128.98 1mm5 h PRO 136 Ca 0.37 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 65.02 1mm5 h PRO 136 Cb 0.59 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.35 1mm5 h PRO 136 CO -0.84 0.41 -0.75 0.54 -0.23 0.00 0.00 178.00 177.13 1mm5 s VAL 137 N -3.64 -0.13 0.01 1.56 0.11 0.52 -3.95 120.40 114.89 1mm5 s VAL 137 Ca -0.00 -0.85 -0.06 0.00 -2.93 0.00 0.00 61.98 58.13 1mm5 s VAL 137 Cb 0.11 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.93 1mm5 s VAL 137 CO 0.70 -0.70 0.26 0.28 -3.33 0.00 0.00 175.10 172.31 1mm5 s THR 138 N 1.97 5.31 -0.27 5.04 -1.32 -0.94 -0.38 115.64 125.05 1mm5 s THR 138 Ca 0.11 0.14 -0.08 0.00 -1.21 0.00 0.00 61.69 60.65 1mm5 s THR 138 Cb -0.17 -3.57 -0.03 0.00 -1.51 0.00 0.00 72.50 67.23 1mm5 s THR 138 CO -0.29 0.35 0.10 0.12 -2.21 0.00 0.00 174.62 172.70 1mm5 s PHE 139 N -1.31 3.13 -0.30 9.09 2.19 0.31 -1.74 117.98 129.34 1mm5 s PHE 139 Ca 0.28 -0.36 -0.07 0.00 0.33 0.00 0.00 56.93 57.11 1mm5 s PHE 139 Cb -0.13 -2.28 0.01 0.00 -1.31 0.00 0.00 43.02 39.31 1mm5 s PHE 139 CO 0.16 -0.34 0.09 -1.14 1.83 0.00 0.00 175.22 175.82 1mm5 s GLN 140 N 1.64 3.02 -0.10 10.12 0.74 0.43 -1.27 119.66 134.24 1mm5 s GLN 140 Ca 0.06 -0.91 -0.03 0.00 0.05 0.00 0.00 55.36 54.54 1mm5 s GLN 140 Cb -0.16 -3.40 -0.03 0.00 1.10 0.00 0.00 33.01 30.52 1mm5 s GLN 140 CO 0.05 -0.48 0.01 -1.64 -0.55 0.00 0.00 175.29 172.68 1mm5 s MET 141 N 1.49 3.11 0.09 1.67 -1.94 -1.07 -0.92 119.30 121.73 1mm5 s MET 141 Ca 0.02 -0.39 0.10 0.00 -1.71 0.00 0.00 55.69 53.71 1mm5 s MET 141 Cb -0.18 -2.85 -0.04 0.00 2.01 0.00 0.00 34.83 33.78 1mm5 s MET 141 CO 0.03 0.66 -0.26 -0.08 -0.01 0.00 0.00 175.02 175.36 1mm5 s THR 142 N -0.75 2.28 -0.30 2.05 -1.32 -0.20 -2.21 115.64 115.19 1mm5 s THR 142 Ca 0.12 -1.58 0.03 0.00 -1.21 0.00 0.00 61.69 59.05 1mm5 s THR 142 Cb -0.12 -1.96 0.08 0.00 -1.51 0.00 0.00 72.50 68.99 1mm5 s THR 142 CO 0.02 0.21 -0.04 -0.47 -2.21 0.00 0.00 174.62 172.13 1mm5 s TYR 143 N -0.96 3.47 -0.18 9.09 6.14 -1.07 -2.24 117.35 131.60 1mm5 s TYR 143 Ca 0.13 -2.57 -0.07 0.00 0.64 0.00 0.00 57.07 55.20 1mm5 s TYR 143 Cb -0.10 -2.34 -0.04 0.00 0.42 0.00 0.00 41.96 39.90 1mm5 s TYR 143 CO 0.05 -0.91 0.05 0.42 0.64 0.00 0.00 175.55 175.80 1mm5 s ILE 144 N 1.03 4.69 0.29 3.14 -1.09 -1.07 -4.23 121.20 123.97 1mm5 s ILE 144 Ca -0.01 -0.07 -0.29 0.00 -2.23 0.00 0.00 60.65 58.05 1mm5 s ILE 144 Cb -0.20 -3.11 -0.10 0.00 -1.58 0.00 0.00 42.46 37.48 1mm5 s ILE 144 CO -0.06 0.47 1.14 -2.16 -1.23 0.00 0.00 174.94 173.10 1mm5 s PRO 145 N 0.34 4.58 -0.27 2.79 0.04 -1.26 -3.28 135.00 137.94 1mm5 s PRO 145 Ca 0.02 1.88 -0.10 0.00 0.04 0.00 0.00 61.00 62.85 1mm5 s PRO 145 Cb -0.12 -3.16 -0.14 0.00 0.04 0.00 0.00 34.50 31.12 1mm5 s PRO 145 CO 0.00 0.13 -0.30 0.41 0.04 0.00 0.00 177.00 177.28 1mm5 n GLY 146 N 1.11 -0.43 1.85 0.56 0.00 -1.26 -4.83 105.19 102.19 1mm5 n GLY 146 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1mm5 n GLY 146 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mm5 n THR 147 N -3.96 0.00 -2.69 2.61 -2.24 -1.26 -5.03 114.28 101.71 1mm5 n THR 147 Ca -0.52 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.07 1mm5 n THR 147 Cb 0.92 -0.21 0.10 0.00 -2.10 0.00 0.00 70.33 69.04 1mm5 n THR 147 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1mm5 n TYR 148 N -2.43 -2.83 1.49 4.78 4.01 -1.26 -5.00 117.16 115.92 1mm5 n TYR 148 Ca 0.00 -1.65 0.14 0.00 -0.16 0.00 0.00 57.90 56.23 1mm5 n TYR 148 Cb 0.00 -0.61 0.60 0.00 -0.31 0.00 0.00 39.34 39.02 1mm5 n TYR 148 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1mm5 n ASN 149 N -2.79 0.74 -1.89 7.72 2.85 -1.26 -3.75 115.26 116.88 1mm5 n ASN 149 Ca 0.15 -0.91 -0.12 0.00 -0.11 0.00 0.00 54.58 53.59 1mm5 n ASN 149 Cb 0.53 -0.01 0.20 0.00 1.24 0.00 0.00 39.78 41.74 1mm5 n ASN 149 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1mm5 n ASN 150 N -0.64 3.98 -1.47 1.20 0.23 -1.26 -5.04 115.26 112.27 1mm5 n ASN 150 Ca 0.17 -3.14 0.19 0.00 -0.53 0.00 0.00 54.58 51.27 1mm5 n ASN 150 Cb 0.28 -0.74 -0.07 0.00 -2.08 0.00 0.00 39.78 37.18 1mm5 n ASN 150 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mm5 n GLY 151 N -0.43 -2.58 1.49 4.83 0.00 -1.25 -4.99 105.19 102.26 1mm5 n GLY 151 Ca 0.41 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1mm5 n GLY 151 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mm5 n ASN 152 N -4.35 0.00 -3.87 1.61 5.15 -1.23 -4.61 115.26 107.95 1mm5 n ASN 152 Ca -0.04 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.80 1mm5 n ASN 152 Cb 0.69 0.10 -0.15 0.00 -0.53 0.00 0.00 39.78 39.88 1mm5 n ASN 152 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1mm5 s VAL 153 N -1.75 0.16 0.01 3.44 -7.23 -1.21 -4.96 120.40 108.87 1mm5 s VAL 153 Ca 0.00 -0.03 0.07 0.00 -1.81 0.00 0.00 61.98 60.22 1mm5 s VAL 153 Cb 0.00 -0.18 -0.02 0.00 0.56 0.00 0.00 36.38 36.74 1mm5 s VAL 153 CO 0.00 0.08 -0.22 -0.72 -0.31 0.00 0.00 175.10 173.92 1mm5 s TYR 154 N 0.30 1.97 -0.05 2.82 -0.85 -1.26 -2.59 117.35 117.69 1mm5 s TYR 154 Ca -0.03 -0.38 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 1mm5 s TYR 154 Cb -0.05 -1.22 -0.03 0.00 0.38 0.00 0.00 41.96 41.03 1mm5 s TYR 154 CO -0.01 0.03 -0.02 -0.06 -1.52 0.00 0.00 175.55 173.97 1mm5 s PHE 155 N -0.65 3.06 -0.16 -3.49 0.40 -0.95 -3.97 117.98 112.22 1mm5 s PHE 155 Ca 0.09 0.10 -0.01 0.00 -0.60 0.00 0.00 56.93 56.51 1mm5 s PHE 155 Cb -0.09 -1.72 -0.01 0.00 0.51 0.00 0.00 43.02 41.72 1mm5 s PHE 155 CO 0.00 0.43 -0.13 0.00 0.70 0.00 0.00 175.22 176.22 1mm5 s ALA 156 N -0.94 2.59 0.03 5.36 0.00 -0.75 -1.04 121.76 127.01 1mm5 s ALA 156 Ca 0.15 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 51.13 1mm5 s ALA 156 Cb -0.11 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 1mm5 s ALA 156 CO 0.05 -0.02 -0.13 -1.58 0.00 0.00 0.00 175.76 174.08 1mm5 s TRP 157 N 0.80 1.11 0.13 0.00 0.51 -0.10 -3.35 118.94 118.03 1mm5 s TRP 157 Ca -0.05 -0.32 0.03 0.00 -2.12 0.00 0.00 56.10 53.64 1mm5 s TRP 157 Cb -0.15 -0.67 -0.04 0.00 -0.81 0.00 0.00 33.47 31.80 1mm5 s TRP 157 CO 0.01 0.01 0.18 -1.64 -0.51 0.00 0.00 176.95 175.00 1mm5 s MET 158 N -0.94 3.14 -0.01 4.98 -1.94 -1.04 -0.43 119.30 123.06 1mm5 s MET 158 Ca 0.01 -0.68 0.04 0.00 -1.71 0.00 0.00 55.69 53.35 1mm5 s MET 158 Cb -0.07 -2.82 -0.01 0.00 2.01 0.00 0.00 34.83 33.94 1mm5 s MET 158 CO 0.01 0.53 -0.12 1.03 -0.01 0.00 0.00 175.02 176.46 1mm5 s ARG 159 N -2.90 0.96 -0.07 2.03 0.52 -0.71 -2.59 118.95 116.19 1mm5 s ARG 159 Ca 0.32 -0.42 0.02 0.00 -0.52 0.00 0.00 55.73 55.13 1mm5 s ARG 159 Cb -0.11 -0.93 -0.03 0.00 0.52 0.00 0.00 34.95 34.40 1mm5 s ARG 159 CO 0.25 0.25 -0.10 -0.06 0.02 0.00 0.00 175.30 175.67 1mm5 s PHE 160 N -0.28 2.83 -0.29 -0.53 0.08 -1.07 -2.59 117.98 116.14 1mm5 s PHE 160 Ca 0.05 -0.09 -0.20 0.00 0.12 0.00 0.00 56.93 56.80 1mm5 s PHE 160 Cb -0.05 -1.69 -0.01 0.00 -0.57 0.00 0.00 43.02 40.70 1mm5 s PHE 160 CO -0.00 0.24 0.63 -1.14 -0.10 0.00 0.00 175.22 174.85 1mm5 s GLN 161 N -0.69 3.98 -0.00 0.44 2.00 -1.25 -2.19 119.66 121.94 1mm5 s GLN 161 Ca 0.10 0.40 0.04 0.00 -2.00 0.00 0.00 55.36 53.91 1mm5 s GLN 161 Cb -0.11 -3.70 -0.01 0.00 0.80 0.00 0.00 33.01 29.99 1mm5 s GLN 161 CO 0.01 -0.51 -0.14 0.12 -0.50 0.00 0.00 175.29 174.27 1mm5 s PHE 162 N 2.58 1.22 -0.11 1.67 5.36 -0.76 -5.02 117.98 122.93 1mm5 s PHE 162 Ca 0.26 -0.25 0.01 0.00 -0.96 0.00 0.00 56.93 55.99 1mm5 s PHE 162 Cb -0.15 -0.78 0.02 0.00 -0.34 0.00 0.00 43.02 41.77 1mm5 s PHE 162 CO 0.11 -0.01 -0.10 -0.51 -1.46 0.00 0.00 175.22 173.24 1mm5 s LEU 163 N -0.44 1.42 0.44 6.12 2.01 -1.26 -2.11 118.68 124.86 1mm5 s LEU 163 Ca 0.05 -0.34 0.00 0.00 0.01 0.00 0.00 54.13 53.85 1mm5 s LEU 163 Cb -0.06 -0.91 0.00 0.00 0.01 0.00 0.00 46.19 45.23 1mm5 s LEU 163 CO -0.00 -0.06 0.00 -0.62 1.01 0.00 0.00 176.35 176.68 1mm5 n GLU 164 N 4.58 -3.12 -3.78 1.70 1.02 -1.26 -5.01 120.64 114.78 1mm5 n GLU 164 Ca -0.16 2.24 -0.11 0.00 -0.02 0.00 0.00 57.16 59.11 1mm5 n GLU 164 Cb 0.51 -3.75 -0.07 0.00 -0.02 0.00 0.00 31.44 28.11 1mm5 n GLU 164 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1mm5 s HIS 165 N -2.93 -0.05 -0.15 -0.32 2.46 -1.26 -5.02 115.29 108.02 1mm5 s HIS 165 Ca 0.00 -0.15 -0.00 0.00 0.47 0.00 0.00 55.06 55.37 1mm5 s HIS 165 Cb 0.00 0.06 -0.09 0.00 -0.13 0.00 0.00 32.58 32.42 1mm5 s HIS 165 CO 0.00 -0.51 -0.14 1.58 -2.47 0.00 0.00 174.74 173.20 1mm5 n HIS 166 N 0.46 0.00 0.00 3.88 -0.00 -1.26 -4.81 115.22 113.49 1mm5 n HIS 166 Ca -0.18 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.00 1mm5 n HIS 166 Cb 0.60 -0.57 0.00 0.00 -0.12 0.00 0.00 29.99 29.90 1mm5 n HIS 166 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1mm5 n HIS 167 N -3.05 0.00 -1.47 1.57 8.25 -1.26 -4.82 115.22 114.44 1mm5 n HIS 167 Ca -0.27 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.89 1mm5 n HIS 167 Cb 0.77 -0.24 0.20 0.00 1.12 0.00 0.00 29.99 31.85 1mm5 n HIS 167 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1mm5 s HIS 168 N -1.94 1.22 -0.18 4.41 3.76 -1.26 -5.02 115.29 116.28 1mm5 s HIS 168 Ca 0.00 0.48 0.18 0.00 -0.15 0.00 0.00 55.06 55.57 1mm5 s HIS 168 Cb 0.00 -3.70 0.46 0.00 1.11 0.00 0.00 32.58 30.45 1mm5 s HIS 168 CO 0.00 -3.18 1.17 1.58 -0.85 0.00 0.00 174.74 173.45 1mm5 n HIS 169 N -4.23 0.92 -0.52 1.40 -0.00 -1.26 -4.85 115.22 106.67 1mm5 n HIS 169 Ca 0.13 -1.53 0.00 0.00 0.46 0.00 0.00 57.72 56.78 1mm5 n HIS 169 Cb 0.59 -0.23 0.00 0.00 -0.12 0.00 0.00 29.99 30.23 1mm5 n HIS 169 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38