#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s30 s SER 3 N 0.00 3.40 -0.02 -5.58 0.15 -1.26 -4.97 113.70 105.42 1s30 s SER 3 Ca 0.00 2.09 0.19 0.00 0.70 0.00 0.00 55.95 58.94 1s30 s SER 3 Cb 0.00 -2.56 -0.28 0.00 -1.71 0.00 0.00 66.02 61.48 1s30 s SER 3 CO 0.00 -2.78 0.53 0.18 1.20 0.00 0.00 173.24 172.37 1s30 n LEU 4 N -3.99 0.24 -4.51 3.45 4.77 -1.26 -4.96 117.00 110.74 1s30 n LEU 4 Ca 0.11 -0.13 -0.53 0.00 -0.03 0.00 0.00 56.01 55.43 1s30 n LEU 4 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1s30 n LEU 4 CO 0.50 0.06 0.53 2.29 -1.33 0.00 0.00 177.39 179.44 1s30 n LYS 5 N -1.98 0.48 -0.27 3.23 0.00 -1.26 -1.06 118.16 117.29 1s30 n LYS 5 Ca -0.02 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 1s30 n LYS 5 Cb 0.45 -1.58 0.00 0.00 -0.00 0.00 0.00 35.03 33.90 1s30 n LYS 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1s30 n GLY 6 N 1.86 1.00 3.86 2.58 0.00 -1.26 -4.98 105.19 108.25 1s30 n GLY 6 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1s30 n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s30 s SER 7 N -2.72 6.01 0.22 1.61 1.04 -0.23 -4.96 113.70 114.67 1s30 s SER 7 Ca 0.00 1.43 0.05 0.00 0.48 0.00 0.00 55.95 57.91 1s30 s SER 7 Cb 0.00 -2.43 0.20 0.00 0.10 0.00 0.00 66.02 63.88 1s30 s SER 7 CO 0.00 -1.01 1.52 0.03 0.98 0.00 0.00 173.24 174.76 1s30 h ARG 8 N -0.42 0.20 -0.77 4.02 3.08 -1.94 -3.09 114.38 115.45 1s30 h ARG 8 Ca -0.44 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.42 1s30 h ARG 8 Cb 1.20 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.24 1s30 h ARG 8 CO 0.61 0.80 0.35 1.15 -1.07 0.00 0.00 179.97 181.81 1s30 h THR 9 N 0.14 1.25 -0.41 2.04 2.02 -1.90 0.04 112.91 116.09 1s30 h THR 9 Ca -0.01 -0.72 0.05 0.00 0.77 0.00 0.00 66.41 66.50 1s30 h THR 9 Cb 1.21 0.28 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 1s30 h THR 9 CO 0.10 0.30 0.13 -0.08 0.37 0.00 0.00 175.52 176.34 1s30 h GLU 10 N 1.11 0.27 -0.10 6.66 4.81 -1.75 0.16 114.58 125.74 1s30 h GLU 10 Ca 0.26 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.37 1s30 h GLU 10 Cb 0.14 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1s30 h GLU 10 CO -0.03 0.18 -0.43 0.87 -0.73 0.00 0.00 179.01 178.87 1s30 h LYS 11 N 0.28 0.23 -0.32 1.92 1.57 -1.47 -2.73 116.57 116.04 1s30 h LYS 11 Ca 0.19 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 1s30 h LYS 11 Cb 0.19 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1s30 h LYS 11 CO -0.21 0.62 -0.22 -0.91 -0.57 0.00 0.00 179.45 178.16 1s30 h ASN 12 N 0.19 0.62 -0.26 0.86 2.35 0.17 -1.17 115.58 118.33 1s30 h ASN 12 Ca 0.02 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1s30 h ASN 12 Cb 0.84 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 1s30 h ASN 12 CO 0.07 0.83 0.10 0.40 -1.65 0.00 0.00 177.43 177.18 1s30 h ILE 13 N 0.54 1.17 -0.65 2.81 2.04 -0.48 -1.04 117.51 121.90 1s30 h ILE 13 Ca 0.08 -0.53 -0.09 0.00 1.00 0.00 0.00 64.86 65.32 1s30 h ILE 13 Cb 0.67 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1s30 h ILE 13 CO 0.05 0.18 0.07 0.25 0.00 0.00 0.00 178.15 178.70 1s30 h LEU 14 N 0.28 1.07 -0.72 1.44 5.85 -1.32 -0.05 115.31 121.85 1s30 h LEU 14 Ca 0.09 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1s30 h LEU 14 Cb 0.18 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1s30 h LEU 14 CO -0.01 1.08 0.46 0.74 -0.34 0.00 0.00 178.44 180.37 1s30 h THR 15 N 1.02 1.20 -0.48 1.05 2.02 -1.05 0.14 112.91 116.81 1s30 h THR 15 Ca 0.19 -0.40 -0.09 0.00 0.77 0.00 0.00 66.41 66.88 1s30 h THR 15 Cb 0.49 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1s30 h THR 15 CO 0.02 0.20 -0.04 0.00 0.37 0.00 0.00 175.52 176.07 1s30 h ALA 16 N 1.25 0.64 -0.75 6.16 0.00 -0.92 -1.44 119.26 124.20 1s30 h ALA 16 Ca 0.26 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1s30 h ALA 16 Cb -0.07 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1s30 h ALA 16 CO -0.05 0.48 0.48 0.35 0.00 0.00 0.00 179.25 180.51 1s30 h PHE 17 N 0.71 0.90 -0.38 0.00 3.57 -0.34 0.19 116.94 121.59 1s30 h PHE 17 Ca 0.13 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1s30 h PHE 17 Cb 0.56 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1s30 h PHE 17 CO 0.04 0.53 0.11 0.00 -2.23 0.00 0.00 178.31 176.76 1s30 h ALA 18 N 1.31 0.50 -0.37 2.41 0.00 -0.52 -1.05 119.26 121.52 1s30 h ALA 18 Ca 0.29 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1s30 h ALA 18 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1s30 h ALA 18 CO -0.10 0.15 0.00 0.78 0.00 0.00 0.00 179.25 180.08 1s30 h GLY 19 N 0.47 0.71 1.27 0.00 0.00 -0.85 -2.33 103.07 102.33 1s30 h GLY 19 Ca 0.12 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1s30 h GLY 19 CO -0.00 0.48 0.26 0.83 0.00 0.00 0.00 176.54 178.10 1s30 h GLU 20 N 0.48 0.94 -0.72 4.80 4.39 -0.57 -0.79 114.58 123.11 1s30 h GLU 20 Ca 0.11 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1s30 h GLU 20 Cb 0.46 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 1s30 h GLU 20 CO 0.02 0.77 0.19 0.77 -1.16 0.00 0.00 179.01 179.60 1s30 h SER 21 N 0.92 1.07 -0.35 1.42 0.02 -1.06 -1.47 113.55 114.10 1s30 h SER 21 Ca 0.22 -0.22 -0.15 0.00 -0.84 0.00 0.00 61.79 60.79 1s30 h SER 21 Cb 0.18 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 1s30 h SER 21 CO -0.02 1.01 -0.38 1.56 -1.14 0.00 0.00 176.83 177.86 1s30 h GLN 22 N 1.07 0.87 -0.64 3.45 4.20 -0.98 -3.02 115.11 120.07 1s30 h GLN 22 Ca 0.23 -0.47 -0.00 0.00 0.06 0.00 0.00 58.65 58.46 1s30 h GLN 22 Cb 0.35 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1s30 h GLN 22 CO -0.00 1.12 0.40 0.00 -0.67 0.00 0.00 178.83 179.67 1s30 h ALA 23 N 0.74 1.49 -0.28 3.87 0.00 -0.91 -0.68 119.26 123.50 1s30 h ALA 23 Ca 0.05 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1s30 h ALA 23 Cb 0.97 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1s30 h ALA 23 CO 0.09 0.45 0.17 -0.09 0.00 0.00 0.00 179.25 179.87 1s30 h ARG 24 N 0.88 0.34 -0.15 0.00 2.43 -1.15 0.08 114.38 116.82 1s30 h ARG 24 Ca 0.23 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1s30 h ARG 24 Cb -0.05 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1s30 h ARG 24 CO -0.05 0.22 0.03 -0.91 -1.51 0.00 0.00 179.97 177.76 1s30 h ASN 25 N 0.35 0.23 -0.44 -3.80 -0.26 -1.34 -2.24 115.58 108.08 1s30 h ASN 25 Ca 0.11 -0.25 0.06 0.00 -0.56 0.00 0.00 56.30 55.66 1s30 h ASN 25 Cb -0.01 -0.06 -0.05 0.00 -1.06 0.00 0.00 38.32 37.14 1s30 h ASN 25 CO -0.04 0.42 0.14 0.03 -1.06 0.00 0.00 177.43 176.92 1s30 h ARG 26 N 0.03 0.30 -0.73 0.81 3.08 -0.93 -1.15 114.38 115.79 1s30 h ARG 26 Ca 0.04 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1s30 h ARG 26 Cb 0.28 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1s30 h ARG 26 CO 0.00 0.20 0.31 1.88 -1.07 0.00 0.00 179.97 181.28 1s30 h TYR 27 N 0.30 1.08 -0.48 3.04 0.05 -0.93 0.17 116.97 120.21 1s30 h TYR 27 Ca 0.21 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 58.84 1s30 h TYR 27 Cb 0.21 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 1s30 h TYR 27 CO -0.16 0.81 -0.03 -0.91 -1.05 0.00 0.00 178.16 176.82 1s30 h ASN 28 N 1.05 0.80 -0.37 3.88 -0.26 -0.85 0.05 115.58 119.89 1s30 h ASN 28 Ca 0.25 -0.21 -0.13 0.00 -0.56 0.00 0.00 56.30 55.65 1s30 h ASN 28 Cb 0.18 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1s30 h ASN 28 CO -0.02 0.88 -0.29 1.88 -1.06 0.00 0.00 177.43 178.82 1s30 h TYR 29 N 0.76 0.99 -0.20 1.19 0.05 -0.64 -2.10 116.97 117.02 1s30 h TYR 29 Ca 0.14 -0.28 -0.05 0.00 0.05 0.00 0.00 58.73 58.59 1s30 h TYR 29 Cb 0.51 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 1s30 h TYR 29 CO 0.03 1.06 -0.09 0.74 -1.05 0.00 0.00 178.16 178.85 1s30 h PHE 30 N 0.64 0.33 -0.61 4.88 0.04 -0.75 -1.45 116.94 120.01 1s30 h PHE 30 Ca 0.07 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 1s30 h PHE 30 Cb 0.86 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.89 1s30 h PHE 30 CO 0.06 0.41 0.10 0.78 -0.60 0.00 0.00 178.31 179.06 1s30 h GLY 31 N 0.75 1.08 1.09 -1.45 0.00 -0.66 0.19 103.07 104.07 1s30 h GLY 31 Ca 0.06 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.62 1s30 h GLY 31 CO 0.02 0.67 0.30 -1.33 0.00 0.00 0.00 176.54 176.20 1s30 h GLY 32 N 0.91 1.24 1.23 4.60 0.00 -0.68 -1.79 103.07 108.59 1s30 h GLY 32 Ca 0.18 -0.68 -0.13 0.00 0.00 0.00 0.00 47.33 46.70 1s30 h GLY 32 CO 0.01 0.64 -0.27 -1.61 0.00 0.00 0.00 176.54 175.31 1s30 h GLN 33 N 1.13 0.87 -0.60 4.80 5.75 -0.86 -2.41 115.11 123.80 1s30 h GLN 33 Ca 0.26 -0.39 0.02 0.00 -0.15 0.00 0.00 58.65 58.39 1s30 h GLN 33 Cb 0.22 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 1s30 h GLN 33 CO -0.02 1.04 0.39 0.00 -2.65 0.00 0.00 178.83 177.59 1s30 h ALA 34 N 0.94 1.63 -0.45 3.38 0.00 -0.23 0.43 119.26 124.95 1s30 h ALA 34 Ca 0.09 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1s30 h ALA 34 Cb 0.83 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1s30 h ALA 34 CO 0.07 0.33 -0.15 -0.22 0.00 0.00 0.00 179.25 179.28 1s30 h LYS 35 N 0.76 0.86 -0.07 0.00 1.63 -0.92 -0.09 116.57 118.74 1s30 h LYS 35 Ca 0.23 -0.32 -0.12 0.00 -0.85 0.00 0.00 60.65 59.59 1s30 h LYS 35 Cb -0.01 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1s30 h LYS 35 CO -0.06 0.95 -0.52 0.87 -3.45 0.00 0.00 179.45 177.25 1s30 h LYS 36 N 0.76 0.18 -0.02 1.90 1.57 -0.71 -2.65 116.57 117.60 1s30 h LYS 36 Ca 0.12 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1s30 h LYS 36 Cb 0.67 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1s30 h LYS 36 CO 0.05 0.66 0.00 -0.25 -0.57 0.00 0.00 179.45 179.34 1s30 n ASP 37 N -3.93 0.35 -0.38 0.86 8.00 0.00 -4.91 116.55 116.54 1s30 n ASP 37 Ca -0.02 -1.26 -0.02 0.00 0.71 0.00 0.00 54.79 54.20 1s30 n ASP 37 Cb 0.55 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 1s30 n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s30 n GLY 38 N 0.97 0.49 2.84 0.44 0.00 -1.00 -5.03 105.19 103.90 1s30 n GLY 38 Ca 0.19 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 1s30 n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s30 s PHE 39 N -2.41 3.06 0.09 1.61 0.08 -0.08 -4.36 117.98 115.98 1s30 s PHE 39 Ca 0.02 -3.10 -0.19 0.00 0.12 0.00 0.00 56.93 53.77 1s30 s PHE 39 Cb -0.01 -2.45 -0.08 0.00 -0.57 0.00 0.00 43.02 39.91 1s30 s PHE 39 CO 0.02 -0.64 1.62 0.28 -0.10 0.00 0.00 175.22 176.40 1s30 h VAL 40 N 4.74 1.18 -0.18 -0.44 2.07 -1.53 -0.46 116.25 121.63 1s30 h VAL 40 Ca 0.09 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.07 1s30 h VAL 40 Cb 0.82 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1s30 h VAL 40 CO 0.65 0.18 0.02 -0.61 0.02 0.00 0.00 177.57 177.84 1s30 h GLN 41 N 0.20 0.09 -0.82 1.57 4.15 -1.85 -1.11 115.11 117.33 1s30 h GLN 41 Ca 0.07 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.52 1s30 h GLN 41 Cb 0.21 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.84 1s30 h GLN 41 CO -0.00 0.06 0.54 0.82 -1.93 0.00 0.00 178.83 178.32 1s30 h ILE 42 N 0.09 1.14 -0.20 2.39 2.04 -1.92 -1.21 117.51 119.83 1s30 h ILE 42 Ca 0.08 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1s30 h ILE 42 Cb 0.09 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1s30 h ILE 42 CO -0.12 0.19 0.13 -1.28 0.00 0.00 0.00 178.15 177.06 1s30 h SER 43 N 1.03 0.24 0.53 1.72 0.87 -0.19 -1.57 113.55 116.18 1s30 h SER 43 Ca 0.32 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.80 1s30 h SER 43 Cb 0.02 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1s30 h SER 43 CO -0.09 0.19 -0.29 0.44 -0.53 0.00 0.00 176.83 176.56 1s30 h ASP 44 N 0.26 0.00 -0.36 6.23 3.32 -0.75 -1.77 116.42 123.35 1s30 h ASP 44 Ca 0.07 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.96 1s30 h ASP 44 Cb -0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1s30 h ASP 44 CO -0.01 0.29 -0.40 0.40 -1.72 0.00 0.00 179.24 177.79 1s30 h ILE 45 N 0.00 1.27 -0.23 0.35 1.08 -0.77 0.03 117.51 119.24 1s30 h ILE 45 Ca -0.00 -1.58 -0.02 0.00 -0.39 0.00 0.00 64.86 62.87 1s30 h ILE 45 Cb 0.63 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.78 1s30 h ILE 45 CO 0.04 0.53 0.07 -0.26 -0.69 0.00 0.00 178.15 177.83 1s30 h PHE 46 N 0.75 0.38 -0.61 1.37 0.04 -0.87 0.63 116.94 118.62 1s30 h PHE 46 Ca 0.06 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1s30 h PHE 46 Cb 1.00 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 39.01 1s30 h PHE 46 CO 0.06 0.45 0.38 0.00 -0.60 0.00 0.00 178.31 178.60 1s30 h ALA 47 N 0.89 0.77 -0.50 2.45 0.00 -1.22 0.11 119.26 121.75 1s30 h ALA 47 Ca 0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1s30 h ALA 47 Cb 0.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1s30 h ALA 47 CO -0.00 0.23 -0.05 1.49 0.00 0.00 0.00 179.25 180.91 1s30 h GLU 48 N 0.82 0.92 -0.75 0.00 4.81 -0.83 -1.11 114.58 118.44 1s30 h GLU 48 Ca 0.22 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1s30 h GLU 48 Cb -0.06 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 1s30 h GLU 48 CO -0.04 0.98 0.44 1.15 -0.73 0.00 0.00 179.01 180.80 1s30 h THR 49 N 0.78 1.22 -0.60 0.32 2.02 -0.46 -0.05 112.91 116.13 1s30 h THR 49 Ca 0.14 -0.50 0.04 0.00 0.77 0.00 0.00 66.41 66.85 1s30 h THR 49 Cb 0.59 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 1s30 h THR 49 CO 0.04 0.23 0.35 0.00 0.37 0.00 0.00 175.52 176.51 1s30 h ALA 50 N 1.23 0.79 -0.45 6.16 0.00 -0.44 0.80 119.26 127.35 1s30 h ALA 50 Ca 0.27 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1s30 h ALA 50 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1s30 h ALA 50 CO -0.05 0.06 0.09 -0.44 0.00 0.00 0.00 179.25 178.91 1s30 h ASP 51 N 0.68 0.63 0.46 0.00 3.32 -0.48 -1.36 116.42 119.68 1s30 h ASP 51 Ca 0.25 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 1s30 h ASP 51 Cb 0.08 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1s30 h ASP 51 CO -0.13 0.64 -0.59 1.56 -1.72 0.00 0.00 179.24 179.00 1s30 h GLN 52 N 0.65 0.13 -0.52 3.56 4.20 0.19 -2.49 115.11 120.83 1s30 h GLN 52 Ca 0.15 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 1s30 h GLN 52 Cb 0.28 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1s30 h GLN 52 CO 0.00 0.68 -0.02 0.93 -0.67 0.00 0.00 178.83 179.75 1s30 h GLU 53 N 0.10 0.89 -0.96 1.46 4.39 -0.13 -0.87 114.58 119.45 1s30 h GLU 53 Ca -0.01 -0.27 0.06 0.00 0.34 0.00 0.00 59.36 59.48 1s30 h GLU 53 Cb 1.07 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.57 1s30 h GLU 53 CO 0.08 0.90 0.63 -0.09 -1.16 0.00 0.00 179.01 179.37 1s30 h ARG 54 N 0.82 1.11 -0.06 2.33 2.43 -0.85 -0.52 114.38 119.64 1s30 h ARG 54 Ca 0.15 -0.07 -0.20 0.00 -0.81 0.00 0.00 59.98 59.05 1s30 h ARG 54 Cb 0.52 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1s30 h ARG 54 CO 0.03 0.73 -0.79 0.93 -1.51 0.00 0.00 179.97 179.36 1s30 h GLU 55 N 1.14 0.44 -0.39 0.20 4.39 -0.99 -1.16 114.58 118.21 1s30 h GLU 55 Ca 0.40 -0.39 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1s30 h GLU 55 Cb 0.13 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1s30 h GLU 55 CO -0.15 1.03 0.16 0.45 -1.16 0.00 0.00 179.01 179.35 1s30 h HIS 56 N 0.29 0.59 -0.78 4.33 3.86 -0.65 -2.06 115.15 120.73 1s30 h HIS 56 Ca -0.05 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1s30 h HIS 56 Cb 1.39 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 29.65 1s30 h HIS 56 CO 0.05 0.52 0.46 0.00 0.86 0.00 0.00 177.93 179.82 1s30 h ALA 57 N 1.01 0.99 -0.46 2.45 0.00 -1.02 -2.50 119.26 119.72 1s30 h ALA 57 Ca 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1s30 h ALA 57 Cb 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1s30 h ALA 57 CO -0.01 0.47 0.22 -0.22 0.00 0.00 0.00 179.25 179.71 1s30 h LYS 58 N 1.07 0.66 -0.62 0.00 3.64 -0.91 0.28 116.57 120.69 1s30 h LYS 58 Ca 0.28 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1s30 h LYS 58 Cb -0.02 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 1s30 h LYS 58 CO -0.05 0.55 0.38 -0.09 -2.27 0.00 0.00 179.45 177.97 1s30 h ARG 59 N 0.60 0.73 -0.46 1.90 9.65 -1.18 -1.46 114.38 124.15 1s30 h ARG 59 Ca 0.16 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 58.91 1s30 h ARG 59 Cb 0.11 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.51 1s30 h ARG 59 CO -0.02 0.48 -0.03 -0.07 2.80 0.00 0.00 179.97 183.13 1s30 h LEU 60 N 0.75 0.82 -0.75 3.80 3.38 -1.09 -3.11 115.31 119.11 1s30 h LEU 60 Ca 0.25 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1s30 h LEU 60 Cb 0.02 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1s30 h LEU 60 CO -0.10 0.95 0.46 0.15 0.09 0.00 0.00 178.44 179.99 1s30 h PHE 61 N 0.68 0.86 0.00 1.13 3.57 0.01 -2.38 116.94 120.81 1s30 h PHE 61 Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1s30 h PHE 61 Cb 0.54 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1s30 h PHE 61 CO 0.04 0.48 0.00 0.87 -2.23 0.00 0.00 178.31 177.47 1s30 h LYS 62 N 0.89 0.00 0.00 1.11 1.57 -1.21 -2.00 116.57 116.93 1s30 h LYS 62 Ca 0.31 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.91 1s30 h LYS 62 Cb 0.06 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1s30 h LYS 62 CO -0.13 0.00 -0.84 0.74 -0.57 0.00 0.00 179.45 178.65 1s30 h PHE 63 N 0.00 0.00 -4.09 -1.35 0.04 -1.49 -3.46 116.94 106.58 1s30 h PHE 63 Ca 0.00 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.22 1s30 h PHE 63 Cb 0.16 0.00 0.14 0.00 2.20 0.00 0.00 35.95 38.45 1s30 h PHE 63 CO 0.00 0.84 0.52 -0.51 -0.60 0.00 0.00 178.31 178.55 1s30 s LEU 64 N -6.77 3.65 -0.02 1.54 1.43 -0.75 -4.97 118.68 112.78 1s30 s LEU 64 Ca 0.01 2.57 0.15 0.00 -1.03 0.00 0.00 54.13 55.83 1s30 s LEU 64 Cb 0.10 -4.56 0.44 0.00 0.03 0.00 0.00 46.19 42.20 1s30 s LEU 64 CO 0.79 -1.80 1.37 -0.62 0.23 0.00 0.00 176.35 176.32 1s30 n GLU 65 N -1.66 2.90 0.00 1.70 1.02 -1.26 -5.09 120.64 118.25 1s30 n GLU 65 Ca 0.14 -2.32 0.00 0.00 -0.02 0.00 0.00 57.16 54.96 1s30 n GLU 65 Cb 0.48 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1s30 n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s30 n GLY 66 N 0.79 1.69 0.06 0.62 0.00 -1.26 -5.14 105.19 101.95 1s30 n GLY 66 Ca 0.17 -2.00 0.01 0.00 0.00 0.00 0.00 46.02 44.19 1s30 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s30 n GLY 67 N 1.55 -2.38 3.81 -0.02 0.00 -1.26 -4.94 105.19 101.96 1s30 n GLY 67 Ca 0.00 -1.45 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 1s30 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s30 s ASP 68 N -4.51 7.07 -0.02 1.61 1.11 -1.26 -5.08 116.67 115.59 1s30 s ASP 68 Ca 0.00 1.49 -0.00 0.00 0.18 0.00 0.00 52.55 54.22 1s30 s ASP 68 Cb 0.00 -2.45 0.03 0.00 1.07 0.00 0.00 42.92 41.57 1s30 s ASP 68 CO 0.00 -0.04 0.04 -0.22 1.18 0.00 0.00 175.17 176.13 1s30 s LEU 69 N -2.18 0.90 0.04 1.23 2.96 -1.26 -5.14 118.68 115.24 1s30 s LEU 69 Ca 0.47 0.05 -0.26 0.00 -0.22 0.00 0.00 54.13 54.16 1s30 s LEU 69 Cb -0.16 -0.08 -0.05 0.00 0.50 0.00 0.00 46.19 46.40 1s30 s LEU 69 CO 0.21 -0.15 0.82 -0.70 -1.32 0.00 0.00 176.35 175.21 1s30 s GLU 70 N 1.27 4.54 0.11 1.98 2.12 -1.26 -5.06 118.70 122.40 1s30 s GLU 70 Ca -0.07 1.16 0.07 0.00 0.36 0.00 0.00 54.97 56.50 1s30 s GLU 70 Cb -0.13 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1s30 s GLU 70 CO -0.03 0.21 -0.18 0.96 -0.54 0.00 0.00 175.26 175.69 1s30 s ILE 71 N 0.15 1.52 -0.20 -3.70 -4.36 -1.26 -5.05 121.20 108.30 1s30 s ILE 71 Ca 0.42 -1.59 0.01 0.00 -0.26 0.00 0.00 60.65 59.23 1s30 s ILE 71 Cb -0.21 -1.49 0.04 0.00 1.25 0.00 0.00 42.46 42.05 1s30 s ILE 71 CO 0.24 -0.21 -0.12 -0.69 0.24 0.00 0.00 174.94 174.41 1s30 s VAL 72 N -1.52 1.74 0.16 8.37 1.01 -1.26 -5.11 120.40 123.78 1s30 s VAL 72 Ca 0.07 -1.05 -0.21 0.00 0.00 0.00 0.00 61.98 60.79 1s30 s VAL 72 Cb -0.08 -1.78 0.06 0.00 0.00 0.00 0.00 36.38 34.57 1s30 s VAL 72 CO 0.04 0.20 0.55 0.00 0.00 0.00 0.00 175.10 175.89 1s30 s ALA 73 N 1.36 -1.38 -0.04 5.51 0.00 -1.26 -5.12 121.76 120.82 1s30 s ALA 73 Ca -0.01 0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.20 1s30 s ALA 73 Cb -0.16 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 1s30 s ALA 73 CO -0.08 -0.75 0.10 0.00 0.00 0.00 0.00 175.76 175.02 1s30 s ALA 74 N -3.78 3.66 0.06 0.00 0.00 -1.26 -5.11 121.76 115.33 1s30 s ALA 74 Ca 0.02 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 1s30 s ALA 74 Cb -0.01 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 1s30 s ALA 74 CO -0.11 0.67 0.02 -0.06 0.00 0.00 0.00 175.76 176.28 1s30 s PHE 75 N -1.13 0.46 -0.09 0.00 0.08 -1.26 -5.08 117.98 110.96 1s30 s PHE 75 Ca 0.20 -0.98 -0.30 0.00 0.12 0.00 0.00 56.93 55.98 1s30 s PHE 75 Cb -0.12 -0.32 -0.04 0.00 -0.57 0.00 0.00 43.02 41.97 1s30 s PHE 75 CO 0.10 -0.42 1.44 -2.14 -0.10 0.00 0.00 175.22 174.10 1s30 s PRO 76 N -3.91 4.22 -1.08 0.24 0.02 -1.26 -4.93 135.00 128.30 1s30 s PRO 76 Ca 0.07 1.92 -0.15 0.00 0.02 0.00 0.00 61.00 62.86 1s30 s PRO 76 Cb 0.07 -3.82 0.17 0.00 0.02 0.00 0.00 34.50 30.95 1s30 s PRO 76 CO -0.10 -0.74 1.25 0.00 -0.33 0.00 0.00 177.00 177.08 1s30 s ALA 77 N 3.53 3.89 0.00 -1.55 0.00 -1.26 -4.86 121.76 121.51 1s30 s ALA 77 Ca 0.64 -3.22 0.00 0.00 0.00 0.00 0.00 51.96 49.37 1s30 s ALA 77 Cb -0.28 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 18.85 1s30 s ALA 77 CO 0.22 -2.74 0.00 0.41 0.00 0.00 0.00 175.76 173.66 1s30 n GLY 78 N 4.39 -3.34 3.27 0.00 0.00 -1.26 -5.07 105.19 103.18 1s30 n GLY 78 Ca 0.29 -1.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.23 1s30 n GLY 78 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s30 s ILE 79 N -0.81 0.10 -0.30 -0.61 -4.36 -1.26 -5.15 121.20 108.80 1s30 s ILE 79 Ca 0.00 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.32 1s30 s ILE 79 Cb 0.00 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.22 1s30 s ILE 79 CO 0.00 0.00 0.09 -0.63 0.24 0.00 0.00 174.94 174.64 1s30 s ILE 80 N -3.75 3.95 0.00 8.37 1.01 -1.26 -5.00 121.20 124.53 1s30 s ILE 80 Ca 0.39 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1s30 s ILE 80 Cb 0.05 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1s30 s ILE 80 CO 0.19 0.03 0.00 0.00 0.00 0.00 0.00 174.94 175.16 1s30 n ALA 81 N 4.86 0.00 -1.56 9.38 0.00 -1.26 -5.11 120.51 126.82 1s30 n ALA 81 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 1s30 n ALA 81 Cb 0.47 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.97 1s30 n ALA 81 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1s30 s ASP 82 N 0.86 5.35 0.29 0.00 -4.77 -1.26 -4.78 116.67 112.36 1s30 s ASP 82 Ca 0.00 1.65 0.02 0.00 -3.30 0.00 0.00 52.55 50.92 1s30 s ASP 82 Cb 0.00 -2.50 0.58 0.00 -1.09 0.00 0.00 42.92 39.91 1s30 s ASP 82 CO 0.00 -1.46 1.84 0.74 0.70 0.00 0.00 175.17 176.98 1s30 h THR 83 N -0.65 0.91 -0.08 2.11 2.02 -1.94 -0.48 112.91 114.79 1s30 h THR 83 Ca -0.44 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 1s30 h THR 83 Cb 1.21 -0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1s30 h THR 83 CO 0.56 0.18 0.05 -0.74 0.37 0.00 0.00 175.52 175.94 1s30 h HIS 84 N 0.97 0.11 -0.65 3.16 -0.00 -1.95 -0.29 115.15 116.50 1s30 h HIS 84 Ca 0.50 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.84 1s30 h HIS 84 Cb 0.52 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.86 1s30 h HIS 84 CO -0.00 0.13 0.30 0.00 -0.00 0.00 0.00 177.93 178.36 1s30 h ALA 85 N 0.97 1.31 -0.45 5.26 0.00 -1.77 -1.70 119.26 122.89 1s30 h ALA 85 Ca 0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1s30 h ALA 85 Cb 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1s30 h ALA 85 CO -0.01 0.53 -0.10 -0.91 0.00 0.00 0.00 179.25 178.77 1s30 h ASN 86 N 0.92 0.79 -0.36 0.00 2.35 -0.70 -1.21 115.58 117.37 1s30 h ASN 86 Ca 0.23 -0.23 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 1s30 h ASN 86 Cb 0.11 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1s30 h ASN 86 CO -0.03 0.91 -0.16 -0.07 -1.65 0.00 0.00 177.43 176.43 1s30 h LEU 87 N 0.72 0.83 -0.47 1.61 3.38 -0.58 -1.24 115.31 119.57 1s30 h LEU 87 Ca 0.12 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1s30 h LEU 87 Cb 0.58 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1s30 h LEU 87 CO 0.04 0.99 -0.06 0.40 0.09 0.00 0.00 178.44 179.90 1s30 h ILE 88 N 0.74 1.27 -0.27 1.22 2.04 -0.97 -1.66 117.51 119.88 1s30 h ILE 88 Ca 0.11 -1.16 -0.14 0.00 1.00 0.00 0.00 64.86 64.67 1s30 h ILE 88 Cb 0.68 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1s30 h ILE 88 CO 0.05 0.40 -0.39 0.00 0.00 0.00 0.00 178.15 178.21 1s30 h ALA 89 N 0.89 0.81 -0.43 1.87 0.00 -1.10 -2.15 119.26 119.15 1s30 h ALA 89 Ca 0.12 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1s30 h ALA 89 Cb 0.59 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1s30 h ALA 89 CO 0.04 0.65 0.06 0.77 0.00 0.00 0.00 179.25 180.76 1s30 h SER 90 N 0.52 0.70 -0.74 0.00 0.02 -1.11 -1.39 113.55 111.57 1s30 h SER 90 Ca 0.05 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1s30 h SER 90 Cb 0.90 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.22 1s30 h SER 90 CO 0.08 0.79 0.43 0.00 -1.14 0.00 0.00 176.83 176.99 1s30 h ALA 91 N 0.93 1.35 -0.64 3.77 0.00 -1.20 0.28 119.26 123.75 1s30 h ALA 91 Ca 0.13 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1s30 h ALA 91 Cb 0.40 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1s30 h ALA 91 CO 0.01 0.55 0.13 0.00 0.00 0.00 0.00 179.25 179.94 1s30 h ALA 92 N 1.44 0.85 -0.38 0.00 0.00 -1.02 0.77 119.26 120.91 1s30 h ALA 92 Ca 0.27 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1s30 h ALA 92 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1s30 h ALA 92 CO -0.05 0.59 0.11 0.78 0.00 0.00 0.00 179.25 180.68 1s30 h GLY 93 N 0.97 0.65 0.98 0.00 0.00 -0.39 -1.62 103.07 103.66 1s30 h GLY 93 Ca 0.20 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1s30 h GLY 93 CO 0.01 0.37 0.28 0.83 0.00 0.00 0.00 176.54 178.02 1s30 h GLU 94 N 0.47 0.69 -0.07 4.80 4.39 -0.73 -2.46 114.58 121.67 1s30 h GLU 94 Ca 0.12 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.77 1s30 h GLU 94 Cb 0.28 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1s30 h GLU 94 CO -0.00 0.54 -0.11 1.25 -1.16 0.00 0.00 179.01 179.53 1s30 h HIS 95 N 0.66 -0.27 -0.81 4.33 2.76 -0.60 -1.61 115.15 119.61 1s30 h HIS 95 Ca 0.18 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.45 1s30 h HIS 95 Cb 0.04 0.13 -0.07 0.00 1.55 0.00 0.00 27.41 29.07 1s30 h HIS 95 CO -0.02 -0.17 0.46 1.25 -1.30 0.00 0.00 177.93 178.16 1s30 h HIS 96 N -0.15 0.84 -0.40 5.26 -0.00 -1.17 -1.52 115.15 118.00 1s30 h HIS 96 Ca 0.06 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.46 1s30 h HIS 96 Cb 0.24 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 1s30 h HIS 96 CO -0.20 0.36 0.23 0.93 -0.00 0.00 0.00 177.93 179.24 1s30 h GLU 97 N 0.79 0.55 0.00 5.26 5.08 -0.88 0.99 114.58 126.37 1s30 h GLU 97 Ca 0.38 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1s30 h GLU 97 Cb 0.32 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1s30 h GLU 97 CO -0.23 0.43 -0.70 2.48 -1.00 0.00 0.00 179.01 179.98 1s30 n TYR 98 N -4.75 0.45 -0.10 4.33 0.18 -0.68 -0.93 117.16 115.67 1s30 n TYR 98 Ca 0.00 0.13 -0.10 0.00 1.88 0.00 0.00 57.90 59.82 1s30 n TYR 98 Cb 0.07 -0.58 -0.15 0.00 -0.38 0.00 0.00 39.34 38.30 1s30 n TYR 98 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1s30 n THR 99 N -2.03 1.32 0.01 -3.48 -2.24 -0.59 -4.53 114.28 102.73 1s30 n THR 99 Ca 0.03 -0.80 -0.01 0.00 -2.27 0.00 0.00 64.05 61.00 1s30 n THR 99 Cb 0.43 -0.53 -0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1s30 n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s30 n GLU 100 N -2.73 0.04 0.28 -0.78 -0.58 0.26 -4.74 120.64 112.39 1s30 n GLU 100 Ca -0.32 0.02 -0.14 0.00 -0.42 0.00 0.00 57.16 56.29 1s30 n GLU 100 Cb 1.12 -0.30 -0.07 0.00 -0.57 0.00 0.00 31.44 31.61 1s30 n GLU 100 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1s30 h MET 101 N -0.07 -0.81 -0.46 3.49 4.05 -1.38 -2.40 114.93 117.34 1s30 h MET 101 Ca 0.00 0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1s30 h MET 101 Cb 0.07 0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 1s30 h MET 101 CO 0.00 -0.54 0.27 1.88 0.23 0.00 0.00 176.91 178.74 1s30 h TYR 102 N -0.84 0.61 -0.95 1.39 0.05 -1.30 -0.25 116.97 115.68 1s30 h TYR 102 Ca -0.07 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.71 1s30 h TYR 102 Cb 0.69 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 38.19 1s30 h TYR 102 CO -0.11 0.44 0.61 -1.35 -1.05 0.00 0.00 178.16 176.71 1s30 h PRO 103 N 0.60 1.26 -0.31 4.88 0.11 -1.76 0.94 132.00 137.72 1s30 h PRO 103 Ca 0.16 -0.09 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 1s30 h PRO 103 Cb 0.02 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 30.84 1s30 h PRO 103 CO -0.03 0.85 0.05 0.77 -0.21 0.00 0.00 178.00 179.43 1s30 h SER 104 N 1.29 0.48 -0.76 -2.05 0.02 -1.14 -1.43 113.55 109.96 1s30 h SER 104 Ca 0.34 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1s30 h SER 104 Cb -0.12 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 1s30 h SER 104 CO -0.07 0.61 0.34 -0.26 -1.14 0.00 0.00 176.83 176.31 1s30 h PHE 105 N 0.33 1.14 -0.19 3.45 -1.00 -0.70 -1.77 116.94 118.20 1s30 h PHE 105 Ca 0.09 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 1s30 h PHE 105 Cb 0.33 -0.35 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 1s30 h PHE 105 CO 0.02 0.84 0.04 0.00 -1.61 0.00 0.00 178.31 177.60 1s30 h ALA 106 N 1.26 0.26 -0.89 2.45 0.00 -0.64 0.19 119.26 121.88 1s30 h ALA 106 Ca 0.26 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1s30 h ALA 106 Cb 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1s30 h ALA 106 CO -0.03 -0.09 0.59 -0.09 0.00 0.00 0.00 179.25 179.63 1s30 h ARG 107 N 0.12 1.15 -0.26 0.00 2.43 -1.07 -0.02 114.38 116.73 1s30 h ARG 107 Ca 0.06 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 1s30 h ARG 107 Cb 0.29 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1s30 h ARG 107 CO 0.00 0.76 -0.40 0.82 -1.51 0.00 0.00 179.97 179.64 1s30 h ILE 108 N 1.18 1.30 -0.08 1.20 2.04 -1.20 -1.18 117.51 120.78 1s30 h ILE 108 Ca 0.33 -1.57 -0.00 0.00 1.00 0.00 0.00 64.86 64.62 1s30 h ILE 108 Cb -0.11 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1s30 h ILE 108 CO -0.08 0.50 0.05 0.00 0.00 0.00 0.00 178.15 178.62 1s30 h ALA 109 N 1.05 0.10 -0.87 1.87 0.00 -0.11 -0.89 119.26 120.41 1s30 h ALA 109 Ca 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1s30 h ALA 109 Cb 0.92 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1s30 h ALA 109 CO 0.08 -0.40 0.57 0.00 0.00 0.00 0.00 179.25 179.50 1s30 h ARG 110 N 0.08 1.15 -0.92 0.00 3.08 -0.90 0.40 114.38 117.27 1s30 h ARG 110 Ca 0.03 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1s30 h ARG 110 Cb 0.02 -0.26 -0.05 0.00 0.08 0.00 0.00 29.97 29.77 1s30 h ARG 110 CO -0.01 0.77 0.61 0.93 -1.07 0.00 0.00 179.97 181.20 1s30 h GLU 111 N 1.18 1.17 -0.03 0.04 5.08 -0.67 -2.00 114.58 119.35 1s30 h GLU 111 Ca 0.32 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1s30 h GLU 111 Cb -0.12 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 28.86 1s30 h GLU 111 CO -0.07 0.78 0.00 0.39 -1.00 0.00 0.00 179.01 179.11 1s30 n GLU 112 N -4.41 1.55 -1.13 2.33 1.02 -0.39 -4.94 120.64 114.67 1s30 n GLU 112 Ca 0.11 -0.80 0.00 0.00 -0.02 0.00 0.00 57.16 56.45 1s30 n GLU 112 Cb 0.05 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1s30 n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s30 n GLY 113 N 1.13 0.88 2.65 0.62 0.00 -0.75 -5.01 105.19 104.71 1s30 n GLY 113 Ca 0.19 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 1s30 n GLY 113 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s30 n TYR 114 N -2.84 3.32 -0.06 1.61 4.01 0.06 -4.88 117.16 118.38 1s30 n TYR 114 Ca 0.00 -3.65 -0.08 0.00 -0.16 0.00 0.00 57.90 54.01 1s30 n TYR 114 Cb 0.25 -0.76 -0.01 0.00 -0.31 0.00 0.00 39.34 38.50 1s30 n TYR 114 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1s30 h GLU 115 N 4.31 0.12 -0.35 -0.72 4.39 -1.88 -1.06 114.58 119.38 1s30 h GLU 115 Ca 0.21 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.96 1s30 h GLU 115 Cb 0.60 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.18 1s30 h GLU 115 CO 0.98 0.08 0.06 1.49 -1.16 0.00 0.00 179.01 180.46 1s30 h GLU 116 N 0.12 0.18 -0.92 2.33 4.81 -1.97 -0.42 114.58 118.71 1s30 h GLU 116 Ca 0.11 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1s30 h GLU 116 Cb 0.12 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1s30 h GLU 116 CO -0.16 0.12 0.51 0.82 -0.73 0.00 0.00 179.01 179.56 1s30 h ILE 117 N 0.18 1.26 -0.92 2.32 2.04 -1.92 -1.90 117.51 118.57 1s30 h ILE 117 Ca 0.17 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1s30 h ILE 117 Cb 0.19 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.24 1s30 h ILE 117 CO -0.22 0.29 0.61 0.00 0.00 0.00 0.00 178.15 178.83 1s30 h ALA 118 N 1.28 1.17 -0.72 1.87 0.00 -0.27 -0.78 119.26 121.80 1s30 h ALA 118 Ca 0.32 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1s30 h ALA 118 Cb 0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 1s30 h ALA 118 CO -0.05 0.57 0.28 0.00 0.00 0.00 0.00 179.25 180.04 1s30 h ARG 119 N 1.25 1.08 -0.39 0.00 3.08 -0.41 -1.44 114.38 117.55 1s30 h ARG 119 Ca 0.34 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 1s30 h ARG 119 Cb -0.14 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.72 1s30 h ARG 119 CO -0.07 0.88 -0.12 0.28 -1.07 0.00 0.00 179.97 179.87 1s30 h VAL 120 N 1.05 1.28 -0.65 2.04 2.07 -0.63 0.15 116.25 121.56 1s30 h VAL 120 Ca 0.24 -1.22 0.03 0.00 0.82 0.00 0.00 66.70 66.58 1s30 h VAL 120 Cb 0.22 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1s30 h VAL 120 CO -0.02 0.41 0.40 -0.26 0.02 0.00 0.00 177.57 178.11 1s30 h PHE 121 N 0.58 0.74 -0.52 1.57 0.04 -0.86 0.63 116.94 119.11 1s30 h PHE 121 Ca 0.10 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.80 1s30 h PHE 121 Cb 0.65 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 1s30 h PHE 121 CO 0.05 0.41 -0.01 0.00 -0.60 0.00 0.00 178.31 178.16 1s30 h ALA 122 N 1.29 0.71 -0.23 2.45 0.00 -1.07 -2.42 119.26 120.00 1s30 h ALA 122 Ca 0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1s30 h ALA 122 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1s30 h ALA 122 CO -0.12 0.54 0.04 0.77 0.00 0.00 0.00 179.25 180.48 1s30 h SER 123 N 0.81 0.36 -0.88 0.00 0.02 -0.46 -2.78 113.55 110.62 1s30 h SER 123 Ca 0.15 -0.25 0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1s30 h SER 123 Cb 0.54 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.92 1s30 h SER 123 CO 0.03 0.52 0.54 0.40 -1.14 0.00 0.00 176.83 177.18 1s30 h ILE 124 N 0.18 1.02 -0.90 3.27 2.04 -0.86 -1.19 117.51 121.07 1s30 h ILE 124 Ca 0.07 -0.33 0.14 0.00 1.00 0.00 0.00 64.86 65.74 1s30 h ILE 124 Cb 0.31 -0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.29 1s30 h ILE 124 CO 0.00 0.18 0.58 0.00 0.00 0.00 0.00 178.15 178.91 1s30 h ALA 125 N 1.42 1.81 -0.63 1.87 0.00 -1.16 0.02 119.26 122.59 1s30 h ALA 125 Ca 0.39 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1s30 h ALA 125 Cb 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1s30 h ALA 125 CO -0.19 -0.05 0.27 0.28 0.00 0.00 0.00 179.25 179.56 1s30 h VAL 126 N 0.72 1.23 -0.78 0.00 2.07 -1.05 -1.54 116.25 116.89 1s30 h VAL 126 Ca 0.46 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1s30 h VAL 126 Cb 0.71 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1s30 h VAL 126 CO -0.22 0.28 0.34 0.00 0.02 0.00 0.00 177.57 177.99 1s30 h ALA 127 N 1.11 1.01 -0.40 1.67 0.00 -0.90 -2.66 119.26 119.09 1s30 h ALA 127 Ca 0.21 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1s30 h ALA 127 Cb 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1s30 h ALA 127 CO -0.02 0.61 0.04 0.93 0.00 0.00 0.00 179.25 180.80 1s30 h GLU 128 N 1.12 0.62 -0.73 0.00 4.39 -0.80 -1.63 114.58 117.55 1s30 h GLU 128 Ca 0.26 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.79 1s30 h GLU 128 Cb 0.17 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1s30 h GLU 128 CO -0.03 0.61 0.27 1.49 -1.16 0.00 0.00 179.01 180.19 1s30 h GLU 129 N 0.60 1.10 -0.12 2.33 4.81 -0.94 -0.15 114.58 122.21 1s30 h GLU 129 Ca 0.13 -0.21 -0.15 0.00 -0.13 0.00 0.00 59.36 59.00 1s30 h GLU 129 Cb 0.32 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1s30 h GLU 129 CO 0.01 0.91 -0.58 0.35 -0.73 0.00 0.00 179.01 178.97 1s30 h PHE 130 N 1.07 0.50 -0.22 0.92 3.57 -1.37 -2.01 116.94 119.41 1s30 h PHE 130 Ca 0.24 -0.18 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1s30 h PHE 130 Cb 0.24 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1s30 h PHE 130 CO 0.02 0.88 0.06 0.45 -2.23 0.00 0.00 178.31 177.49 1s30 h HIS 131 N 0.29 0.11 -0.49 0.41 3.86 -0.63 -0.96 115.15 117.75 1s30 h HIS 131 Ca -0.00 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1s30 h HIS 131 Cb 1.10 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.51 1s30 h HIS 131 CO 0.03 0.05 0.25 1.49 0.86 0.00 0.00 177.93 180.62 1s30 h GLU 132 N 0.16 0.48 -0.42 2.45 4.81 -0.85 -1.98 114.58 119.23 1s30 h GLU 132 Ca 0.09 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1s30 h GLU 132 Cb 0.07 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1s30 h GLU 132 CO -0.11 0.32 0.11 -0.22 -0.73 0.00 0.00 179.01 178.38 1s30 h LYS 133 N 0.50 0.25 -0.16 1.92 3.64 -0.72 0.13 116.57 122.13 1s30 h LYS 133 Ca 0.21 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1s30 h LYS 133 Cb 0.11 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1s30 h LYS 133 CO -0.15 0.16 0.10 0.00 -2.27 0.00 0.00 179.45 177.30 1s30 h ARG 134 N 0.26 0.21 -0.68 1.90 3.08 -0.83 0.34 114.38 118.66 1s30 h ARG 134 Ca 0.20 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.26 1s30 h ARG 134 Cb 0.22 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 1s30 h ARG 134 CO -0.23 0.17 0.43 0.74 -1.07 0.00 0.00 179.97 180.01 1s30 h PHE 135 N 0.20 0.81 -0.38 3.04 0.04 -0.89 -0.50 116.94 119.26 1s30 h PHE 135 Ca 0.06 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.74 1s30 h PHE 135 Cb 0.01 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.88 1s30 h PHE 135 CO -0.06 0.48 -0.17 -0.07 -0.60 0.00 0.00 178.31 177.89 1s30 h LEU 136 N 0.86 0.81 -0.49 1.54 3.38 -0.54 -1.31 115.31 119.56 1s30 h LEU 136 Ca 0.27 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1s30 h LEU 136 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1s30 h LEU 136 CO -0.09 1.03 0.26 0.44 0.09 0.00 0.00 178.44 180.17 1s30 h ASP 137 N 0.59 0.61 -0.43 -0.43 3.32 -0.59 -1.16 116.42 118.33 1s30 h ASP 137 Ca 0.09 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 1s30 h ASP 137 Cb 0.72 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1s30 h ASP 137 CO 0.05 0.53 -0.08 -0.26 -1.72 0.00 0.00 179.24 177.77 1s30 h PHE 138 N 0.64 0.96 -0.46 4.55 0.04 -1.04 -0.42 116.94 121.22 1s30 h PHE 138 Ca 0.17 -0.17 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1s30 h PHE 138 Cb 0.06 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 1s30 h PHE 138 CO -0.02 0.91 0.00 0.00 -0.60 0.00 0.00 178.31 178.61 1s30 h ALA 139 N 1.11 1.15 -0.39 2.45 0.00 -1.02 -1.90 119.26 120.66 1s30 h ALA 139 Ca 0.14 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1s30 h ALA 139 Cb 0.59 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1s30 h ALA 139 CO 0.04 0.55 -0.29 -0.09 0.00 0.00 0.00 179.25 179.46 1s30 h ARG 140 N 0.70 0.88 -0.98 0.00 2.43 -0.78 -1.44 114.38 115.19 1s30 h ARG 140 Ca 0.14 -0.43 0.02 0.00 -0.81 0.00 0.00 59.98 58.90 1s30 h ARG 140 Cb 0.43 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 1s30 h ARG 140 CO 0.02 1.08 0.65 -0.91 -1.51 0.00 0.00 179.97 179.29 1s30 h ASN 141 N 0.69 1.11 -0.16 -3.80 -0.26 -0.75 -0.63 115.58 111.78 1s30 h ASN 141 Ca 0.07 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.76 1s30 h ASN 141 Cb 0.87 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.85 1s30 h ASN 141 CO 0.08 0.79 -0.03 0.40 -1.06 0.00 0.00 177.43 177.61 1s30 h ILE 142 N 1.30 1.28 -0.85 2.81 2.04 -1.19 0.39 117.51 123.29 1s30 h ILE 142 Ca 0.37 -0.95 0.03 0.00 1.00 0.00 0.00 64.86 65.30 1s30 h ILE 142 Cb -0.11 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 1s30 h ILE 142 CO -0.09 0.28 0.55 0.50 0.00 0.00 0.00 178.15 179.39 1s30 h LYS 143 N 0.02 1.04 -0.18 2.37 3.64 -0.88 -2.00 116.57 120.59 1s30 h LYS 143 Ca 0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1s30 h LYS 143 Cb 0.44 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1s30 h LYS 143 CO 0.01 0.69 0.00 0.39 -2.27 0.00 0.00 179.45 178.27 1s30 n GLU 144 N -4.55 1.59 -3.64 1.90 1.02 -0.28 -4.92 120.64 111.77 1s30 n GLU 144 Ca 0.10 -0.89 -0.23 0.00 -0.02 0.00 0.00 57.16 56.12 1s30 n GLU 144 Cb 0.08 -1.31 0.06 0.00 -0.02 0.00 0.00 31.44 30.25 1s30 n GLU 144 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s30 n GLY 145 N 1.01 -0.45 0.29 0.62 0.00 -0.75 -4.90 105.19 101.01 1s30 n GLY 145 Ca 0.13 0.18 0.03 0.00 0.00 0.00 0.00 46.02 46.36 1s30 n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s30 n ARG 146 N -4.60 2.68 -0.16 1.61 5.12 0.13 -4.44 116.66 117.00 1s30 n ARG 146 Ca -0.11 -1.68 -0.09 0.00 -1.93 0.00 0.00 57.85 54.03 1s30 n ARG 146 Cb 0.60 -1.12 -0.00 0.00 -1.16 0.00 0.00 32.46 30.78 1s30 n ARG 146 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1s30 h VAL 147 N 0.96 1.24 -0.03 1.55 2.07 -1.88 -3.33 116.25 116.83 1s30 h VAL 147 Ca 0.00 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1s30 h VAL 147 Cb 0.58 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1s30 h VAL 147 CO 0.00 0.31 0.00 0.49 0.02 0.00 0.00 177.57 178.39 1s30 n PHE 148 N -4.47 0.04 -3.77 1.57 3.72 -1.26 -4.89 117.46 108.40 1s30 n PHE 148 Ca 0.01 -0.25 -0.13 0.00 -0.05 0.00 0.00 57.45 57.03 1s30 n PHE 148 Cb 0.23 -0.02 -0.14 0.00 -0.94 0.00 0.00 39.48 38.61 1s30 n PHE 148 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1s30 s LEU 149 N -0.57 0.93 0.27 4.37 2.96 -1.25 -1.04 118.68 124.35 1s30 s LEU 149 Ca 0.03 0.31 0.05 0.00 -0.22 0.00 0.00 54.13 54.30 1s30 s LEU 149 Cb 0.02 0.42 -0.06 0.00 0.50 0.00 0.00 46.19 47.07 1s30 s LEU 149 CO 0.02 -0.12 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.78 1s30 s ARG 150 N 0.84 1.50 0.07 1.98 1.81 0.44 -4.27 118.95 121.32 1s30 s ARG 150 Ca -0.06 -1.77 -0.32 0.00 -1.72 0.00 0.00 55.73 51.85 1s30 s ARG 150 Cb -0.08 -0.97 -0.19 0.00 -0.45 0.00 0.00 34.95 33.26 1s30 s ARG 150 CO -0.04 -0.03 1.59 1.05 -0.68 0.00 0.00 175.30 177.19 1s30 h GLU 151 N 2.31 -0.85 -6.24 3.54 9.09 -1.99 -3.44 114.58 117.00 1s30 h GLU 151 Ca -0.40 0.06 -0.45 0.00 0.05 0.00 0.00 59.36 58.62 1s30 h GLU 151 Cb 1.23 0.19 -0.00 0.00 -1.65 0.00 0.00 28.75 28.52 1s30 h GLU 151 CO 0.67 -0.56 -0.40 -0.65 0.05 0.00 0.00 179.01 178.13 1s30 s GLN 152 N -5.95 3.35 0.17 1.06 1.11 -1.26 -4.97 119.66 113.17 1s30 s GLN 152 Ca -0.17 -0.82 -0.31 0.00 0.01 0.00 0.00 55.36 54.07 1s30 s GLN 152 Cb 0.03 -2.86 -0.09 0.00 -1.01 0.00 0.00 33.01 29.08 1s30 s GLN 152 CO 0.61 0.31 1.38 0.00 0.01 0.00 0.00 175.29 177.61 1s30 s ALA 153 N -2.05 3.59 0.00 6.09 0.00 -1.26 -4.52 121.76 123.61 1s30 s ALA 153 Ca 0.37 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1s30 s ALA 153 Cb -0.09 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1s30 s ALA 153 CO 0.30 -0.62 0.00 -2.37 0.00 0.00 0.00 175.76 173.07 1s30 n THR 154 N 3.22 0.00 -4.52 0.00 5.66 -0.39 -4.89 114.28 113.37 1s30 n THR 154 Ca 0.09 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.76 1s30 n THR 154 Cb 0.42 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.07 1s30 n THR 154 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1s30 s LYS 155 N -1.24 3.58 -0.10 1.09 1.02 -1.26 -1.67 119.74 121.16 1s30 s LYS 155 Ca 0.00 -0.57 0.01 0.00 0.02 0.00 0.00 55.97 55.42 1s30 s LYS 155 Cb 0.00 -2.82 -0.02 0.00 -0.52 0.00 0.00 37.83 34.46 1s30 s LYS 155 CO 0.00 0.23 -0.11 -1.58 -0.92 0.00 0.00 175.35 172.97 1s30 s TRP 156 N 0.37 2.83 -0.10 3.18 0.52 0.27 -0.49 118.94 125.51 1s30 s TRP 156 Ca -0.06 -0.37 0.02 0.00 0.02 0.00 0.00 56.10 55.71 1s30 s TRP 156 Cb -0.15 -1.78 -0.01 0.00 -1.15 0.00 0.00 33.47 30.38 1s30 s TRP 156 CO 0.04 -0.00 -0.16 0.50 0.02 0.00 0.00 176.95 177.35 1s30 s ARG 157 N -0.11 3.09 -0.19 4.98 3.52 0.63 0.13 118.95 131.00 1s30 s ARG 157 Ca -0.01 -0.74 -0.29 0.00 -0.13 0.00 0.00 55.73 54.56 1s30 s ARG 157 Cb -0.14 -2.49 0.00 0.00 -1.56 0.00 0.00 34.95 30.77 1s30 s ARG 157 CO 0.03 0.30 1.05 0.00 -0.81 0.00 0.00 175.30 175.88 1s30 h ARG 159 N 7.43 0.00 -0.05 0.00 3.08 -1.22 0.14 114.38 123.76 1s30 h ARG 159 Ca -0.23 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.61 1s30 h ARG 159 Cb 1.08 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.15 1s30 h ARG 159 CO 0.95 0.19 -0.82 -0.97 -1.07 0.00 0.00 179.97 178.25 1s30 h ASN 160 N 0.00 0.80 0.00 7.04 -0.73 -1.92 -3.41 115.58 117.37 1s30 h ASN 160 Ca -0.00 -0.71 0.00 0.00 1.87 0.00 0.00 56.30 57.46 1s30 h ASN 160 Cb 0.58 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.93 1s30 h ASN 160 CO 0.02 1.39 0.00 0.00 -0.37 0.00 0.00 177.43 178.48 1s30 n GLY 162 N 0.59 0.76 3.77 0.00 0.00 0.50 -5.02 105.19 105.78 1s30 n GLY 162 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1s30 n GLY 162 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1s30 n TYR 163 N -2.22 2.84 -4.43 1.61 9.36 -1.26 -4.63 117.16 118.43 1s30 n TYR 163 Ca 0.00 0.44 -0.34 0.00 3.32 0.00 0.00 57.90 61.32 1s30 n TYR 163 Cb 0.00 -2.49 -0.13 0.00 -0.63 0.00 0.00 39.34 36.09 1s30 n TYR 163 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1s30 s VAL 164 N -1.17 3.59 -0.08 2.97 1.01 -1.26 -0.77 120.40 124.69 1s30 s VAL 164 Ca 0.58 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1s30 s VAL 164 Cb -0.45 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1s30 s VAL 164 CO 0.60 0.49 -0.20 -2.28 0.00 0.00 0.00 175.10 173.71 1s30 s HIS 165 N 0.53 2.61 -0.23 5.22 2.46 0.36 -4.93 115.29 121.30 1s30 s HIS 165 Ca -0.05 -0.68 -0.07 0.00 0.47 0.00 0.00 55.06 54.74 1s30 s HIS 165 Cb -0.15 -1.69 -0.03 0.00 -0.13 0.00 0.00 32.58 30.58 1s30 s HIS 165 CO 0.03 -0.19 0.05 -1.21 -2.47 0.00 0.00 174.74 170.94 1s30 s GLU 166 N -0.01 3.65 0.00 2.88 2.02 -1.26 0.96 118.70 126.94 1s30 s GLU 166 Ca -0.06 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.44 1s30 s GLU 166 Cb -0.15 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.84 1s30 s GLU 166 CO 0.05 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.63 1s30 n GLY 167 N 4.66 -0.75 0.24 -1.39 0.00 -0.67 -4.96 105.19 102.32 1s30 n GLY 167 Ca -0.17 -1.17 0.12 0.00 0.00 0.00 0.00 46.02 44.81 1s30 n GLY 167 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1s30 h THR 168 N 2.59 0.30 -3.99 2.61 1.35 -1.85 -1.04 112.91 112.88 1s30 h THR 168 Ca 0.00 -0.95 -0.10 0.00 -0.55 0.00 0.00 66.41 64.80 1s30 h THR 168 Cb 0.00 1.75 -0.14 0.00 -1.73 0.00 0.00 68.15 68.02 1s30 h THR 168 CO 0.00 0.13 -0.49 -0.83 -0.25 0.00 0.00 175.52 174.08 1s30 s GLY 169 N -4.25 0.29 0.41 5.82 0.00 -1.26 -0.42 107.32 107.91 1s30 s GLY 169 Ca 0.02 -0.88 -0.25 0.00 0.00 0.00 0.00 44.72 43.61 1s30 s GLY 169 CO 0.61 -1.01 1.17 0.00 0.00 0.00 0.00 173.10 173.87 1s30 s ALA 170 N -3.90 3.11 0.66 3.20 0.00 -0.21 -4.95 121.76 119.68 1s30 s ALA 170 Ca 0.07 0.96 -0.14 0.00 0.00 0.00 0.00 51.96 52.85 1s30 s ALA 170 Cb 0.06 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1s30 s ALA 170 CO -0.09 -0.56 1.10 -1.25 0.00 0.00 0.00 175.76 174.95 1s30 s PRO 171 N -2.39 2.83 0.39 0.00 0.04 -1.26 -4.94 135.00 129.66 1s30 s PRO 171 Ca 0.59 1.32 0.10 0.00 0.04 0.00 0.00 61.00 63.05 1s30 s PRO 171 Cb -0.30 -1.96 0.78 0.00 0.04 0.00 0.00 34.50 33.06 1s30 s PRO 171 CO 0.38 -1.22 1.90 0.93 0.04 0.00 0.00 177.00 179.03 1s30 h GLU 172 N -0.07 0.17 -3.57 4.56 4.39 -1.95 -3.32 114.58 114.79 1s30 h GLU 172 Ca -0.46 -0.04 -0.26 0.00 0.34 0.00 0.00 59.36 58.93 1s30 h GLU 172 Cb 1.24 -0.02 -0.31 0.00 -0.10 0.00 0.00 28.75 29.56 1s30 h GLU 172 CO 0.54 0.36 -0.70 -0.51 -1.16 0.00 0.00 179.01 177.54 1s30 s LEU 173 N -8.63 1.41 0.06 1.33 1.43 -1.26 -1.53 118.68 111.48 1s30 s LEU 173 Ca -0.05 0.06 -0.31 0.00 -1.03 0.00 0.00 54.13 52.81 1s30 s LEU 173 Cb 0.15 0.02 -0.07 0.00 0.03 0.00 0.00 46.19 46.32 1s30 s LEU 173 CO 0.73 -0.08 1.52 0.00 0.23 0.00 0.00 176.35 178.75 1s30 n PRO 175 N 5.19 0.14 -0.11 0.00 -0.04 -1.26 -0.41 135.00 138.51 1s30 n PRO 175 Ca 0.14 0.39 -0.24 0.00 -0.04 0.00 0.00 63.50 63.75 1s30 n PRO 175 Cb 0.42 -1.78 -0.11 0.00 -0.04 0.00 0.00 33.50 31.99 1s30 n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s30 n ALA 176 N -1.70 0.99 0.50 0.55 0.00 -1.26 -4.65 120.51 114.94 1s30 n ALA 176 Ca 0.02 -0.77 0.06 0.00 0.00 0.00 0.00 53.44 52.75 1s30 n ALA 176 Cb 0.20 -0.29 0.03 0.00 0.00 0.00 0.00 19.45 19.39 1s30 n ALA 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s30 n ALA 178 N 0.41 -0.14 -1.94 0.00 0.00 0.45 -4.97 120.51 114.32 1s30 n ALA 178 Ca 0.06 0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.34 1s30 n ALA 178 Cb 0.28 -1.57 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 1s30 n ALA 178 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1s30 s HIS 179 N -1.95 3.51 0.90 0.00 3.76 -1.26 -4.63 115.29 115.63 1s30 s HIS 179 Ca 0.00 1.30 -0.11 0.00 -0.15 0.00 0.00 55.06 56.10 1s30 s HIS 179 Cb 0.00 -2.68 0.13 0.00 1.11 0.00 0.00 32.58 31.14 1s30 s HIS 179 CO 0.00 -0.41 1.10 -1.25 -0.85 0.00 0.00 174.74 173.33 1s30 s PRO 180 N -4.39 1.19 0.51 8.40 0.04 -1.26 -0.62 135.00 138.86 1s30 s PRO 180 Ca 0.56 1.09 0.33 0.00 0.04 0.00 0.00 61.00 63.02 1s30 s PRO 180 Cb -0.10 -1.78 1.47 0.00 0.04 0.00 0.00 34.50 34.12 1s30 s PRO 180 CO 0.39 -2.37 1.77 -0.22 0.04 0.00 0.00 177.00 176.61 1s30 h LYS 181 N -1.65 0.08 -0.46 4.56 3.64 -1.38 -2.05 116.57 119.31 1s30 h LYS 181 Ca -0.48 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.03 1s30 h LYS 181 Cb 1.27 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 1s30 h LYS 181 CO 0.50 0.06 0.64 0.00 -2.27 0.00 0.00 179.45 178.38 1s30 h ALA 182 N 1.44 2.17 -0.00 5.00 0.00 -1.88 -0.67 119.26 125.31 1s30 h ALA 182 Ca 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1s30 h ALA 182 Cb 2.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.06 1s30 h ALA 182 CO -0.09 -0.88 -0.22 0.72 0.00 0.00 0.00 179.25 178.78 1s30 n HIS 183 N -3.37 0.00 -3.10 0.00 8.25 -0.77 -1.62 115.22 114.61 1s30 n HIS 183 Ca 0.09 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.23 1s30 n HIS 183 Cb 0.82 -0.28 -0.06 0.00 1.12 0.00 0.00 29.99 31.59 1s30 n HIS 183 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1s30 s PHE 184 N -2.78 3.38 0.18 4.41 0.40 -0.26 -0.64 117.98 122.66 1s30 s PHE 184 Ca 0.19 1.21 -0.06 0.00 -0.60 0.00 0.00 56.93 57.67 1s30 s PHE 184 Cb 0.19 -2.54 -0.02 0.00 0.51 0.00 0.00 43.02 41.16 1s30 s PHE 184 CO 0.56 0.06 0.23 -1.83 0.70 0.00 0.00 175.22 174.95 1s30 s GLU 185 N -3.08 1.18 0.19 0.44 -1.05 -0.52 -4.73 118.70 111.12 1s30 s GLU 185 Ca 0.54 -1.33 -0.30 0.00 -0.15 0.00 0.00 54.97 53.73 1s30 s GLU 185 Cb -0.10 0.34 -0.08 0.00 -0.44 0.00 0.00 34.13 33.85 1s30 s GLU 185 CO 0.19 -0.42 1.27 -0.51 0.95 0.00 0.00 175.26 176.74 1s30 s LEU 186 N -3.03 4.43 0.07 1.83 1.43 -1.26 -0.27 118.68 121.88 1s30 s LEU 186 Ca 0.24 2.33 -0.32 0.00 -1.03 0.00 0.00 54.13 55.35 1s30 s LEU 186 Cb 0.04 -3.61 -0.11 0.00 0.03 0.00 0.00 46.19 42.54 1s30 s LEU 186 CO 0.04 -0.47 1.83 -0.11 0.23 0.00 0.00 176.35 177.87 1s30 n LEU 187 N 2.63 3.82 -4.52 1.79 -0.00 0.36 -4.70 117.00 116.38 1s30 n LEU 187 Ca 0.06 0.98 -0.31 0.00 -0.00 0.00 0.00 56.01 56.74 1s30 n LEU 187 Cb 0.44 -1.49 -0.12 0.00 -0.00 0.00 0.00 43.42 42.25 1s30 n LEU 187 CO 0.57 0.08 -0.44 -0.83 -0.00 0.00 0.00 177.39 176.77 1s30 s GLY 188 N 2.99 1.66 -0.28 -3.96 0.00 -1.26 -4.97 107.32 101.50 1s30 s GLY 188 Ca 0.85 -1.10 -0.03 0.00 0.00 0.00 0.00 44.72 44.43 1s30 s GLY 188 CO 0.41 -0.97 0.11 -0.42 0.00 0.00 0.00 173.10 172.23 1s30 s ILE 189 N -0.95 0.23 -0.64 0.90 1.01 -1.26 -5.05 121.20 115.44 1s30 s ILE 189 Ca 0.16 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.98 1s30 s ILE 189 Cb -0.11 -1.15 0.25 0.00 0.01 0.00 0.00 42.46 41.46 1s30 s ILE 189 CO 0.06 -0.65 0.74 -0.46 0.00 0.00 0.00 174.94 174.63 1s30 n ASN 190 N 5.13 3.73 0.00 3.58 2.04 -1.26 -5.35 115.26 123.13 1s30 n ASN 190 Ca -0.05 -3.44 0.00 0.00 -0.44 0.00 0.00 54.58 50.65 1s30 n ASN 190 Cb 0.43 -0.67 0.00 0.00 -2.53 0.00 0.00 39.78 37.00 1s30 n ASN 190 CO 0.00 0.00 0.00 -2.67 -0.44 0.00 0.00 177.26 174.15