#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1i n LEU 2 N 0.00 -4.04 -4.63 3.17 4.77 -1.26 -4.95 117.00 110.05 1o1i n LEU 2 Ca 0.00 1.61 -0.30 0.00 -0.03 0.00 0.00 56.01 57.29 1o1i n LEU 2 Cb 0.00 -1.88 0.18 0.00 -2.33 0.00 0.00 43.42 39.39 1o1i n LEU 2 CO 0.00 -0.77 0.64 -0.94 -1.33 0.00 0.00 177.39 174.99 1o1i s SER 3 N -0.47 2.53 0.19 -1.43 1.04 -1.26 -4.78 113.70 109.51 1o1i s SER 3 Ca 0.00 1.94 -0.08 0.00 0.48 0.00 0.00 55.95 58.29 1o1i s SER 3 Cb 0.00 -2.47 0.10 0.00 0.10 0.00 0.00 66.02 63.75 1o1i s SER 3 CO 0.00 -3.31 1.63 1.55 0.98 0.00 0.00 173.24 174.10 1o1i h PRO 4 N -2.01 0.99 -0.79 4.02 0.13 -1.99 -0.16 132.00 132.19 1o1i h PRO 4 Ca -0.49 -0.34 0.06 0.00 -0.87 0.00 0.00 66.00 64.36 1o1i h PRO 4 Cb 1.28 -0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 1o1i h PRO 4 CO 0.45 1.02 0.48 0.00 -0.23 0.00 0.00 178.00 179.73 1o1i h ALA 5 N 1.01 1.08 0.25 -0.56 0.00 -1.99 -0.21 119.26 118.83 1o1i h ALA 5 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1o1i h ALA 5 Cb 0.63 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1o1i h ALA 5 CO 0.04 0.21 -0.27 -0.44 0.00 0.00 0.00 179.25 178.80 1o1i h ASP 6 N 0.89 -0.72 -0.50 0.00 3.45 -1.79 -1.62 116.42 116.12 1o1i h ASP 6 Ca 0.35 0.07 0.10 0.00 0.43 0.00 0.00 57.03 57.97 1o1i h ASP 6 Cb 0.16 0.25 -0.09 0.00 -0.56 0.00 0.00 39.33 39.09 1o1i h ASP 6 CO -0.17 -0.38 -0.04 0.11 -1.57 0.00 0.00 179.24 177.18 1o1i h LYS 7 N -0.56 0.07 -0.99 3.56 1.57 -0.54 0.25 116.57 119.93 1o1i h LYS 7 Ca -0.00 -0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.90 1o1i h LYS 7 Cb 0.52 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.73 1o1i h LYS 7 CO -0.07 0.05 0.63 1.15 -0.57 0.00 0.00 179.45 180.63 1o1i h THR 8 N 0.07 0.90 -0.20 -0.16 2.02 -0.87 0.84 112.91 115.51 1o1i h THR 8 Ca 0.25 -0.33 -0.19 0.00 0.77 0.00 0.00 66.41 66.91 1o1i h THR 8 Cb 0.38 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1o1i h THR 8 CO -0.46 0.17 -0.64 0.78 0.37 0.00 0.00 175.52 175.75 1o1i h ASN 9 N 0.96 0.84 0.33 4.18 -0.26 0.28 -1.98 115.58 119.93 1o1i h ASN 9 Ca 0.50 -0.49 -0.02 0.00 -0.56 0.00 0.00 56.30 55.73 1o1i h ASN 9 Cb 0.53 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 1o1i h ASN 9 CO -0.26 1.27 -0.16 0.58 -1.06 0.00 0.00 177.43 177.80 1o1i h VAL 10 N 0.54 0.68 -0.98 2.81 2.07 -0.04 -0.86 116.25 120.47 1o1i h VAL 10 Ca -0.01 -0.50 0.17 0.00 0.82 0.00 0.00 66.70 67.17 1o1i h VAL 10 Cb 1.24 0.93 -0.09 0.00 -1.52 0.00 0.00 31.29 31.85 1o1i h VAL 10 CO 0.13 0.10 0.61 0.11 0.02 0.00 0.00 177.57 178.54 1o1i h LYS 11 N -0.73 0.75 0.13 1.57 1.57 -0.90 -1.04 116.57 117.93 1o1i h LYS 11 Ca -0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1o1i h LYS 11 Cb 0.49 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1o1i h LYS 11 CO 0.07 0.50 -0.06 0.00 -0.57 0.00 0.00 179.45 179.39 1o1i h ALA 12 N 1.60 -0.17 -0.91 3.86 0.00 -1.27 -2.77 119.26 119.60 1o1i h ALA 12 Ca 0.53 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.26 1o1i h ALA 12 Cb 0.79 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1o1i h ALA 12 CO -0.30 -0.27 0.59 0.00 0.00 0.00 0.00 179.25 179.27 1o1i h ALA 13 N -0.16 1.51 0.00 0.00 0.00 -0.82 0.44 119.26 120.23 1o1i h ALA 13 Ca -0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1o1i h ALA 13 Cb 0.55 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1o1i h ALA 13 CO 0.03 0.35 -0.33 2.35 0.00 0.00 0.00 179.25 181.65 1o1i h TRP 14 N 1.03 0.00 -0.21 0.00 2.91 -1.27 -1.78 115.95 116.63 1o1i h TRP 14 Ca 0.39 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.40 1o1i h TRP 14 Cb 0.21 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.85 1o1i h TRP 14 CO -0.00 0.33 0.09 0.78 -1.03 0.00 0.00 178.44 178.60 1o1i h GLY 15 N 1.56 0.34 1.13 2.65 0.00 -0.63 -1.77 103.07 106.35 1o1i h GLY 15 Ca -0.00 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.16 1o1i h GLY 15 CO 0.04 0.17 0.59 0.50 0.00 0.00 0.00 176.54 177.84 1o1i h LYS 16 N 0.19 1.17 0.07 4.80 1.79 -0.82 -1.96 116.57 121.81 1o1i h LYS 16 Ca 0.07 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1o1i h LYS 16 Cb 0.17 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1o1i h LYS 16 CO -0.01 0.78 -0.05 0.28 -1.08 0.00 0.00 179.45 179.37 1o1i h VAL 17 N 1.21 0.90 0.00 0.50 2.07 -1.12 -3.45 116.25 116.36 1o1i h VAL 17 Ca 0.33 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.85 1o1i h VAL 17 Cb -0.14 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1o1i h VAL 17 CO -0.07 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.13 1o1i n GLY 18 N -1.15 3.35 0.00 2.17 0.00 -0.68 -1.33 105.19 107.55 1o1i n GLY 18 Ca -0.07 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1o1i n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o1i n ALA 19 N 11.37 2.27 0.15 4.61 0.00 -1.26 -2.28 120.51 135.37 1o1i n ALA 19 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1o1i n ALA 19 Cb 0.00 -1.26 0.23 0.00 0.00 0.00 0.00 19.45 18.42 1o1i n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o1i n HIS 20 N -0.88 0.60 -0.05 0.00 8.25 -0.44 -4.54 115.22 118.16 1o1i n HIS 20 Ca 0.12 -0.31 -0.09 0.00 -0.26 0.00 0.00 57.72 57.18 1o1i n HIS 20 Cb 0.06 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 1o1i n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1o1i h ALA 21 N 4.37 0.25 -0.47 -1.41 0.00 -1.61 1.36 119.26 121.75 1o1i h ALA 21 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1o1i h ALA 21 Cb 0.98 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1o1i h ALA 21 CO 0.00 -0.33 -0.00 0.78 0.00 0.00 0.00 179.25 179.70 1o1i h GLY 22 N 0.20 0.90 1.03 0.00 0.00 -1.84 -1.37 103.07 101.99 1o1i h GLY 22 Ca 0.09 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 1o1i h GLY 22 CO -0.08 0.62 0.56 0.83 0.00 0.00 0.00 176.54 178.47 1o1i h GLU 23 N 0.69 1.28 -0.25 4.80 5.08 -1.71 -2.37 114.58 122.10 1o1i h GLU 23 Ca 0.13 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 1o1i h GLU 23 Cb 0.51 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1o1i h GLU 23 CO 0.03 0.90 -0.52 1.88 -1.00 0.00 0.00 179.01 180.30 1o1i h TYR 24 N 1.30 1.01 -0.32 4.33 0.99 0.21 -2.67 116.97 121.82 1o1i h TYR 24 Ca 0.34 -0.37 0.04 0.00 2.00 0.00 0.00 58.73 60.74 1o1i h TYR 24 Cb -0.04 -0.19 -0.04 0.00 1.00 0.00 0.00 36.73 37.46 1o1i h TYR 24 CO 0.01 1.18 0.08 0.78 -0.00 0.00 0.00 178.16 180.21 1o1i h GLY 25 N 0.55 0.38 1.01 3.88 0.00 -1.18 -1.20 103.07 106.51 1o1i h GLY 25 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1o1i h GLY 25 CO 0.12 0.00 0.47 0.00 0.00 0.00 0.00 176.54 177.12 1o1i h ALA 26 N 1.22 0.91 -0.06 3.60 0.00 -1.35 -0.71 119.26 122.88 1o1i h ALA 26 Ca 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1o1i h ALA 26 Cb 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1o1i h ALA 26 CO -0.18 0.35 -0.15 1.49 0.00 0.00 0.00 179.25 180.76 1o1i h GLU 27 N 0.98 0.10 -0.41 0.00 4.81 -1.14 -2.10 114.58 116.82 1o1i h GLU 27 Ca 0.26 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.36 1o1i h GLU 27 Cb -0.09 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1o1i h GLU 27 CO -0.05 0.25 -0.21 0.00 -0.73 0.00 0.00 179.01 178.27 1o1i h ALA 28 N 1.76 0.85 -0.21 2.92 0.00 0.09 -1.63 119.26 123.04 1o1i h ALA 28 Ca 0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1o1i h ALA 28 Cb 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1o1i h ALA 28 CO 0.02 0.64 0.01 0.74 0.00 0.00 0.00 179.25 180.66 1o1i h PHE 29 N 0.71 0.40 -0.82 0.00 -1.00 -0.88 -0.13 116.94 115.23 1o1i h PHE 29 Ca 0.10 -0.07 0.05 0.00 2.81 0.00 0.00 57.97 60.86 1o1i h PHE 29 Cb 0.73 -0.11 -0.06 0.00 3.61 0.00 0.00 35.95 40.13 1o1i h PHE 29 CO 0.04 0.55 0.51 1.49 -1.61 0.00 0.00 178.31 179.29 1o1i h GLU 30 N 0.14 0.94 -0.19 1.51 4.81 -1.33 0.30 114.58 120.76 1o1i h GLU 30 Ca 0.06 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1o1i h GLU 30 Cb 0.38 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1o1i h GLU 30 CO 0.01 0.62 0.08 0.00 -0.73 0.00 0.00 179.01 178.99 1o1i h ARG 31 N 0.97 0.28 -0.03 1.92 3.08 -1.20 -2.61 114.38 116.79 1o1i h ARG 31 Ca 0.35 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1o1i h ARG 31 Cb 0.10 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1o1i h ARG 31 CO -0.15 0.35 0.02 1.98 -1.07 0.00 0.00 179.97 181.10 1o1i h MET 32 N 0.15 0.04 -0.69 0.04 4.05 -0.28 -0.51 114.93 117.74 1o1i h MET 32 Ca 0.06 -0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.56 1o1i h MET 32 Cb 0.17 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 30.89 1o1i h MET 32 CO -0.01 0.05 0.34 0.74 0.23 0.00 0.00 176.91 178.27 1o1i h PHE 33 N 0.02 0.62 -0.20 1.39 0.04 -0.44 0.62 116.94 118.99 1o1i h PHE 33 Ca 0.01 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.74 1o1i h PHE 33 Cb 0.02 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 37.99 1o1i h PHE 33 CO -0.07 0.24 -0.16 -0.07 -0.60 0.00 0.00 178.31 177.65 1o1i h LEU 34 N 0.60 0.50 -0.17 1.54 4.07 -1.33 -3.18 115.31 117.34 1o1i h LEU 34 Ca 0.33 -0.46 -0.23 0.00 0.08 0.00 0.00 57.88 57.61 1o1i h LEU 34 Cb 0.32 -0.14 0.01 0.00 1.08 0.00 0.00 40.66 41.93 1o1i h LEU 34 CO -0.25 0.85 -0.89 0.28 -1.08 0.00 0.00 178.44 177.35 1o1i h SER 35 N 0.15 0.72 -2.75 -0.43 0.02 -0.75 -3.40 113.55 107.11 1o1i h SER 35 Ca 0.04 -0.53 -0.60 0.00 -0.84 0.00 0.00 61.79 59.86 1o1i h SER 35 Cb 0.69 -0.22 -0.40 0.00 0.14 0.00 0.00 62.40 62.62 1o1i h SER 35 CO 0.04 1.32 -0.81 -0.36 -1.14 0.00 0.00 176.83 175.88 1o1i s PHE 36 N -3.46 2.04 0.62 3.45 0.40 0.21 -4.97 117.98 116.26 1o1i s PHE 36 Ca -0.08 -2.67 0.31 0.00 -0.60 0.00 0.00 56.93 53.89 1o1i s PHE 36 Cb 0.09 -1.65 1.69 0.00 0.51 0.00 0.00 43.02 43.66 1o1i s PHE 36 CO 0.88 -0.72 2.04 -1.35 0.70 0.00 0.00 175.22 176.77 1o1i h PRO 37 N 5.72 0.00 -0.40 0.24 0.11 -1.75 0.66 132.00 136.57 1o1i h PRO 37 Ca 0.19 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.42 1o1i h PRO 37 Cb 0.86 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 1o1i h PRO 37 CO 0.50 0.00 0.29 1.15 -0.21 0.00 0.00 178.00 179.73 1o1i h THR 38 N 0.00 0.79 0.00 -1.15 2.02 -1.92 -1.67 112.91 110.97 1o1i h THR 38 Ca 0.09 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 1o1i h THR 38 Cb 0.64 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1o1i h THR 38 CO -0.00 0.00 -0.16 0.71 0.37 0.00 0.00 175.52 176.44 1o1i h THR 39 N 0.00 0.41 -0.21 3.16 1.35 -1.20 -3.14 112.91 113.28 1o1i h THR 39 Ca 0.19 -0.96 0.06 0.00 -0.55 0.00 0.00 66.41 65.15 1o1i h THR 39 Cb 0.78 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1o1i h THR 39 CO -0.00 0.16 0.18 0.11 -0.25 0.00 0.00 175.52 175.72 1o1i h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.49 -2.13 116.57 119.24 1o1i h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1o1i h LYS 40 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1o1i h LYS 40 CO 0.02 0.00 0.00 2.41 -0.57 0.00 0.00 179.45 181.31 1o1i n THR 41 N -4.13 1.01 1.19 -0.16 -1.04 -1.19 -1.24 114.28 108.72 1o1i n THR 41 Ca 0.02 0.46 0.14 0.00 -2.04 0.00 0.00 64.05 62.63 1o1i n THR 41 Cb 0.32 -1.41 0.61 0.00 -1.82 0.00 0.00 70.33 68.02 1o1i n THR 41 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1o1i n TYR 42 N -2.14 0.00 -3.29 -1.42 4.01 -0.80 -4.02 117.16 109.50 1o1i n TYR 42 Ca 0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 1o1i n TYR 42 Cb 0.13 -0.35 -0.07 0.00 -0.31 0.00 0.00 39.34 38.73 1o1i n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1o1i n PHE 43 N -1.34 1.56 -0.26 -0.72 3.01 -0.38 -4.97 117.46 114.36 1o1i n PHE 43 Ca 0.10 -3.85 -0.07 0.00 1.01 0.00 0.00 57.45 54.65 1o1i n PHE 43 Cb 0.30 -0.45 0.05 0.00 -0.01 0.00 0.00 39.48 39.37 1o1i n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1o1i h PRO 44 N 4.06 1.13 -0.51 -1.08 0.11 -1.71 -3.06 132.00 130.93 1o1i h PRO 44 Ca 0.13 -0.24 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1o1i h PRO 44 Cb 0.78 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1o1i h PRO 44 CO 0.64 0.96 0.00 -2.39 -0.21 0.00 0.00 178.00 177.00 1o1i n HIS 45 N -4.28 0.74 -3.43 0.65 1.44 -1.26 -4.92 115.22 104.15 1o1i n HIS 45 Ca 0.06 -0.34 -0.34 0.00 -2.01 0.00 0.00 57.72 55.10 1o1i n HIS 45 Cb 0.22 -0.06 -0.05 0.00 0.12 0.00 0.00 29.99 30.21 1o1i n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1o1i s PHE 46 N -1.50 3.52 -0.45 -1.40 2.99 -1.16 -5.04 117.98 114.95 1o1i s PHE 46 Ca 0.32 0.91 -0.29 0.00 0.00 0.00 0.00 56.93 57.87 1o1i s PHE 46 Cb 0.18 -2.27 0.03 0.00 0.00 0.00 0.00 43.02 40.96 1o1i s PHE 46 CO 0.19 0.38 1.11 0.34 -0.00 0.00 0.00 175.22 177.24 1o1i s ASP 47 N -2.03 6.67 -0.27 1.36 -1.08 -1.26 -4.91 116.67 115.16 1o1i s ASP 47 Ca 0.41 0.54 0.11 0.00 -0.52 0.00 0.00 52.55 53.09 1o1i s ASP 47 Cb -0.13 -2.54 0.72 0.00 -1.46 0.00 0.00 42.92 39.52 1o1i s ASP 47 CO 0.20 -1.17 1.70 0.18 0.52 0.00 0.00 175.17 176.61 1o1i n LEU 48 N 7.60 5.65 -4.42 -1.34 4.77 -1.26 -4.52 117.00 123.48 1o1i n LEU 48 Ca 0.11 -2.91 -0.29 0.00 -0.03 0.00 0.00 56.01 52.89 1o1i n LEU 48 Cb 0.49 -0.71 0.27 0.00 -2.33 0.00 0.00 43.42 41.13 1o1i n LEU 48 CO 0.69 0.70 0.48 -0.94 -1.33 0.00 0.00 177.39 176.99 1o1i s SER 49 N -0.81 0.03 0.04 -1.43 1.04 -1.26 -4.93 113.70 106.38 1o1i s SER 49 Ca 0.51 1.06 -0.19 0.00 0.48 0.00 0.00 55.95 57.81 1o1i s SER 49 Cb 0.40 -1.58 -0.10 0.00 0.10 0.00 0.00 66.02 64.84 1o1i s SER 49 CO 0.14 -4.72 1.29 -0.74 0.98 0.00 0.00 173.24 170.19 1o1i h HIS 50 N -2.98 -0.70 -0.43 5.02 2.76 -2.03 -3.12 115.15 113.66 1o1i h HIS 50 Ca -0.51 -0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 57.55 1o1i h HIS 50 Cb 1.33 0.26 -0.06 0.00 1.55 0.00 0.00 27.41 30.49 1o1i h HIS 50 CO -1.71 -0.38 0.13 0.41 -1.30 0.00 0.00 177.93 175.08 1o1i n GLY 51 N -1.32 2.76 3.64 5.26 0.00 -1.26 -4.96 105.19 109.30 1o1i n GLY 51 Ca -0.07 -0.59 -0.54 0.00 0.00 0.00 0.00 46.02 44.81 1o1i n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1o1i n SER 52 N 0.09 1.88 0.31 1.61 2.88 -1.18 -4.84 113.62 114.37 1o1i n SER 52 Ca 0.23 1.10 0.20 0.00 -1.33 0.00 0.00 58.87 59.08 1o1i n SER 52 Cb 0.95 -1.16 0.98 0.00 -0.75 0.00 0.00 64.21 64.23 1o1i n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1o1i h ALA 53 N 5.52 1.03 0.02 -1.46 0.00 -1.93 -2.01 119.26 120.44 1o1i h ALA 53 Ca -0.47 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.18 1o1i h ALA 53 Cb 1.33 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.13 1o1i h ALA 53 CO 0.84 0.01 -1.04 1.96 0.00 0.00 0.00 179.25 181.03 1o1i h GLN 54 N 0.00 0.54 0.01 0.00 4.20 -1.88 -1.93 115.11 116.05 1o1i h GLN 54 Ca -0.00 -0.61 -0.22 0.00 0.06 0.00 0.00 58.65 57.88 1o1i h GLN 54 Cb 0.22 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1o1i h GLN 54 CO 0.00 1.23 -0.93 0.28 -0.67 0.00 0.00 178.83 178.74 1o1i h VAL 55 N 0.29 1.45 -0.40 -0.54 2.07 -1.73 -2.87 116.25 114.52 1o1i h VAL 55 Ca -0.12 -2.56 0.04 0.00 0.82 0.00 0.00 66.70 64.88 1o1i h VAL 55 Cb 1.69 2.47 -0.04 0.00 -1.52 0.00 0.00 31.29 33.89 1o1i h VAL 55 CO 0.19 0.76 0.17 0.50 0.02 0.00 0.00 177.57 179.21 1o1i h LYS 56 N 0.17 0.34 -0.96 1.57 1.63 -1.37 -1.72 116.57 116.23 1o1i h LYS 56 Ca -0.07 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1o1i h LYS 56 Cb 1.57 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 33.07 1o1i h LYS 56 CO 0.15 0.23 0.63 0.78 -3.45 0.00 0.00 179.45 177.79 1o1i h GLY 57 N 0.35 1.39 1.71 5.01 0.00 -1.32 -1.90 103.07 108.30 1o1i h GLY 57 Ca 0.18 -0.48 -0.17 0.00 0.00 0.00 0.00 47.33 46.86 1o1i h GLY 57 CO -0.15 0.41 -0.69 1.46 0.00 0.00 0.00 176.54 177.58 1o1i h GLN 58 N 1.21 0.29 0.22 4.80 1.08 -1.24 -1.06 115.11 120.42 1o1i h GLN 58 Ca 0.38 -0.23 0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1o1i h GLN 58 Cb 0.00 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1o1i h GLN 58 CO -0.12 0.87 -0.25 0.78 -0.95 0.00 0.00 178.83 179.16 1o1i h GLY 59 N 1.47 -0.54 1.01 3.46 0.00 -0.87 0.25 103.07 107.85 1o1i h GLY 59 Ca -0.02 0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 1o1i h GLY 59 CO 0.11 -0.23 0.50 0.50 0.00 0.00 0.00 176.54 177.42 1o1i h LYS 60 N -0.52 1.12 -0.82 4.80 1.57 -1.22 0.83 116.57 122.33 1o1i h LYS 60 Ca 0.00 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1o1i h LYS 60 Cb 0.49 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1o1i h LYS 60 CO -0.07 0.78 0.54 0.87 -0.57 0.00 0.00 179.45 181.00 1o1i h LYS 61 N 1.13 1.09 -0.02 3.15 1.57 -0.95 0.46 116.57 123.00 1o1i h LYS 61 Ca 0.30 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1o1i h LYS 61 Cb -0.05 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.02 1o1i h LYS 61 CO -0.06 0.73 -0.13 0.28 -0.57 0.00 0.00 179.45 179.70 1o1i h VAL 62 N 1.12 1.50 -0.72 0.50 2.07 0.11 -2.97 116.25 117.86 1o1i h VAL 62 Ca 0.30 -1.67 0.08 0.00 0.82 0.00 0.00 66.70 66.23 1o1i h VAL 62 Cb -0.12 2.54 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 1o1i h VAL 62 CO -0.06 0.45 0.47 0.00 0.02 0.00 0.00 177.57 178.45 1o1i h ALA 63 N 0.35 1.76 -0.09 1.67 0.00 0.85 -0.33 119.26 123.47 1o1i h ALA 63 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1o1i h ALA 63 Cb 0.81 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1o1i h ALA 63 CO 0.03 0.11 -0.07 -0.44 0.00 0.00 0.00 179.25 178.88 1o1i h ASP 64 N 0.70 0.21 0.25 0.00 3.32 -0.12 -1.81 116.42 118.96 1o1i h ASP 64 Ca 0.32 -0.46 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 1o1i h ASP 64 Cb 0.34 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1o1i h ASP 64 CO -0.11 0.62 -0.21 0.00 -1.72 0.00 0.00 179.24 177.82 1o1i h ALA 65 N 0.59 1.56 -0.48 3.45 0.00 -1.32 0.15 119.26 123.22 1o1i h ALA 65 Ca 0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1o1i h ALA 65 Cb 0.55 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1o1i h ALA 65 CO 0.02 0.26 -0.01 -0.07 0.00 0.00 0.00 179.25 179.44 1o1i h LEU 66 N 0.00 0.84 -0.67 0.00 3.38 -0.87 -0.67 115.31 117.33 1o1i h LEU 66 Ca -0.00 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1o1i h LEU 66 Cb 0.39 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1o1i h LEU 66 CO 0.03 0.95 0.41 0.74 0.09 0.00 0.00 178.44 180.65 1o1i h THR 67 N 0.70 1.19 -0.67 0.22 2.02 -0.49 0.29 112.91 116.18 1o1i h THR 67 Ca 0.13 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1o1i h THR 67 Cb 0.53 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1o1i h THR 67 CO 0.03 0.20 0.41 -1.13 0.37 0.00 0.00 175.52 175.40 1o1i h ASN 68 N 0.91 0.79 -0.21 4.18 -0.73 -0.57 -0.56 115.58 119.38 1o1i h ASN 68 Ca 0.24 -0.04 -0.06 0.00 1.87 0.00 0.00 56.30 58.31 1o1i h ASN 68 Cb -0.03 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.35 1o1i h ASN 68 CO -0.05 0.60 -0.10 0.00 -0.37 0.00 0.00 177.43 177.51 1o1i h ALA 69 N 1.54 0.30 -0.73 1.57 0.00 0.06 -1.45 119.26 120.56 1o1i h ALA 69 Ca 0.24 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1o1i h ALA 69 Cb -0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1o1i h ALA 69 CO -0.05 0.13 0.48 0.28 0.00 0.00 0.00 179.25 180.10 1o1i h VAL 70 N 0.15 0.95 0.00 0.00 2.07 -0.20 0.59 116.25 119.81 1o1i h VAL 70 Ca 0.05 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1o1i h VAL 70 Cb 0.59 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1o1i h VAL 70 CO 0.03 0.12 -0.15 0.00 0.02 0.00 0.00 177.57 177.59 1o1i h ALA 71 N 1.63 0.95 -0.84 1.67 0.00 -0.56 -3.24 119.26 118.86 1o1i h ALA 71 Ca 0.33 -0.14 -0.41 0.00 0.00 0.00 0.00 54.91 54.69 1o1i h ALA 71 Cb 0.43 -0.02 -0.41 0.00 0.00 0.00 0.00 17.79 17.79 1o1i h ALA 71 CO -0.12 0.19 -0.99 0.72 0.00 0.00 0.00 179.25 179.05 1o1i n HIS 72 N -3.20 2.01 0.17 0.00 8.25 -0.59 -4.90 115.22 116.95 1o1i n HIS 72 Ca 0.02 -2.49 0.11 0.00 -0.26 0.00 0.00 57.72 55.09 1o1i n HIS 72 Cb 0.49 -0.27 0.57 0.00 1.12 0.00 0.00 29.99 31.90 1o1i n HIS 72 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1o1i n VAL 73 N -0.48 0.96 1.04 1.59 3.14 0.14 0.12 118.33 124.83 1o1i n VAL 73 Ca 0.23 0.74 0.11 0.00 -2.96 0.00 0.00 64.34 62.46 1o1i n VAL 73 Cb 0.82 -1.74 0.05 0.00 -1.06 0.00 0.00 33.84 31.91 1o1i n VAL 73 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1o1i n ASP 74 N -2.24 1.70 -2.78 6.55 10.43 -1.26 -4.43 116.55 124.52 1o1i n ASP 74 Ca -0.01 -1.32 -0.02 0.00 2.57 0.00 0.00 54.79 56.00 1o1i n ASP 74 Cb 0.08 0.48 0.06 0.00 1.84 0.00 0.00 41.12 43.57 1o1i n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1o1i n ASP 75 N -0.35 1.17 -0.05 -2.24 4.64 0.12 -4.97 116.55 114.87 1o1i n ASP 75 Ca 0.09 -2.20 -0.09 0.00 -1.38 0.00 0.00 54.79 51.21 1o1i n ASP 75 Cb 0.43 -0.34 -0.03 0.00 -1.04 0.00 0.00 41.12 40.14 1o1i n ASP 75 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 1o1i h MET 76 N 2.53 -0.30 -0.84 -0.67 2.86 -1.55 0.88 114.93 117.84 1o1i h MET 76 Ca -0.16 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.64 1o1i h MET 76 Cb 1.25 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.92 1o1i h MET 76 CO 0.21 -0.20 0.55 -1.00 1.06 0.00 0.00 176.91 177.52 1o1i h PRO 77 N -0.31 0.59 0.00 -0.22 0.13 -1.93 1.64 132.00 131.90 1o1i h PRO 77 Ca 0.13 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 65.08 1o1i h PRO 77 Cb 0.52 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.49 1o1i h PRO 77 CO -0.41 0.39 -0.90 -0.91 -0.23 0.00 0.00 178.00 175.94 1o1i h ASN 78 N 0.61 0.00 0.93 1.44 2.35 -1.80 -2.78 115.58 116.33 1o1i h ASN 78 Ca 0.41 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 56.01 1o1i h ASN 78 Cb 0.73 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.08 1o1i h ASN 78 CO -0.17 0.61 -0.71 0.00 -1.65 0.00 0.00 177.43 175.52 1o1i h ALA 79 N 1.39 0.70 -0.24 -0.83 0.00 0.61 -3.31 119.26 117.57 1o1i h ALA 79 Ca -0.06 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1o1i h ALA 79 Cb 1.52 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1o1i h ALA 79 CO 0.07 0.89 0.00 1.28 0.00 0.00 0.00 179.25 181.48 1o1i n LEU 80 N -3.50 2.60 -0.28 0.00 4.77 0.51 -4.77 117.00 116.32 1o1i n LEU 80 Ca -0.00 -1.68 -0.01 0.00 -0.03 0.00 0.00 56.01 54.29 1o1i n LEU 80 Cb 0.74 -0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.73 1o1i n LEU 80 CO 0.43 0.61 0.65 0.77 -1.33 0.00 0.00 177.39 178.52 1o1i h SER 81 N 2.06 -1.07 -0.81 -1.43 4.64 -1.59 0.26 113.55 115.61 1o1i h SER 81 Ca 0.00 0.26 -0.04 0.00 -0.47 0.00 0.00 61.79 61.54 1o1i h SER 81 Cb 0.64 0.59 -0.04 0.00 -0.31 0.00 0.00 62.40 63.29 1o1i h SER 81 CO 0.00 -0.29 0.36 0.00 -0.87 0.00 0.00 176.83 176.03 1o1i h ALA 82 N 1.41 1.05 0.00 5.18 0.00 -1.87 -2.16 119.26 122.86 1o1i h ALA 82 Ca 0.32 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1o1i h ALA 82 Cb 0.58 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1o1i h ALA 82 CO -0.82 0.64 -0.12 -0.07 0.00 0.00 0.00 179.25 178.88 1o1i h LEU 83 N 1.16 0.00 -0.27 0.00 3.38 -0.92 -2.32 115.31 116.35 1o1i h LEU 83 Ca 0.27 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.04 1o1i h LEU 83 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1o1i h LEU 83 CO -0.03 0.12 -0.65 -1.28 0.09 0.00 0.00 178.44 176.70 1o1i h SER 84 N 0.00 0.92 0.00 -0.43 0.87 -0.46 -2.77 113.55 111.69 1o1i h SER 84 Ca -0.00 -0.54 -0.24 0.00 -1.23 0.00 0.00 61.79 59.78 1o1i h SER 84 Cb 0.58 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1o1i h SER 84 CO 0.02 1.33 -0.92 0.44 -0.53 0.00 0.00 176.83 177.17 1o1i h ASP 85 N 0.59 0.86 -0.83 6.23 3.32 -1.12 -2.76 116.42 122.70 1o1i h ASP 85 Ca -0.01 -0.63 -0.01 0.00 0.02 0.00 0.00 57.03 56.40 1o1i h ASP 85 Cb 1.26 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.51 1o1i h ASP 85 CO 0.14 1.43 0.49 0.25 -1.72 0.00 0.00 179.24 179.82 1o1i h LEU 86 N 0.42 1.00 0.00 1.55 7.12 -1.49 0.11 115.31 124.03 1o1i h LEU 86 Ca -0.09 -0.07 -0.19 0.00 0.13 0.00 0.00 57.88 57.66 1o1i h LEU 86 Cb 1.55 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 41.40 1o1i h LEU 86 CO 0.18 0.78 -1.06 0.45 -0.13 0.00 0.00 178.44 178.66 1o1i h HIS 87 N 1.14 0.00 0.01 1.25 3.86 -1.54 0.61 115.15 120.48 1o1i h HIS 87 Ca 0.30 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.19 1o1i h HIS 87 Cb -0.03 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.40 1o1i h HIS 87 CO -0.00 0.80 -1.71 0.00 0.86 0.00 0.00 177.93 177.87 1o1i n ALA 88 N -2.36 0.92 0.02 2.45 0.00 -1.04 -0.66 120.51 119.84 1o1i n ALA 88 Ca -0.04 -0.68 -0.22 0.00 0.00 0.00 0.00 53.44 52.50 1o1i n ALA 88 Cb 0.89 -0.38 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 1o1i n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1o1i h HIS 89 N -0.85 0.51 0.05 0.00 3.86 -0.96 -3.04 115.15 114.71 1o1i h HIS 89 Ca -0.46 -0.37 -0.37 0.00 -1.16 0.00 0.00 60.37 58.01 1o1i h HIS 89 Cb 1.48 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 29.89 1o1i h HIS 89 CO 0.05 1.66 -2.21 1.17 0.86 0.00 0.00 177.93 179.45 1o1i n LYS 90 N -3.73 0.70 0.00 2.45 4.81 -1.15 -4.50 118.16 116.73 1o1i n LYS 90 Ca -0.27 0.19 -0.05 0.00 -0.87 0.00 0.00 58.31 57.30 1o1i n LYS 90 Cb 0.98 -1.62 -0.12 0.00 0.02 0.00 0.00 35.03 34.30 1o1i n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1o1i h LEU 91 N 0.03 0.00 -1.23 3.14 3.38 -0.99 -3.49 115.31 116.16 1o1i h LEU 91 Ca -0.49 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.03 1o1i h LEU 91 Cb 2.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.76 1o1i h LEU 91 CO 0.01 0.83 -0.77 0.54 0.09 0.00 0.00 178.44 179.14 1o1i n ARG 92 N -2.99 -5.63 -2.15 1.13 5.12 -0.65 -4.91 116.66 106.58 1o1i n ARG 92 Ca -0.14 0.63 -0.42 0.00 -1.93 0.00 0.00 57.85 56.00 1o1i n ARG 92 Cb 0.97 -5.45 -0.03 0.00 -1.16 0.00 0.00 32.46 26.79 1o1i n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1o1i s VAL 93 N -3.42 3.29 0.06 1.55 1.01 0.16 -4.96 120.40 118.10 1o1i s VAL 93 Ca 0.44 0.91 -0.30 0.00 0.00 0.00 0.00 61.98 63.02 1o1i s VAL 93 Cb -0.22 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 1o1i s VAL 93 CO 0.81 0.06 1.87 -0.62 0.00 0.00 0.00 175.10 177.23 1o1i s ASP 94 N 1.21 6.47 0.49 3.32 -1.08 -1.26 -4.87 116.67 120.94 1o1i s ASP 94 Ca 0.65 2.65 0.27 0.00 -0.52 0.00 0.00 52.55 55.61 1o1i s ASP 94 Cb -0.37 -2.54 1.35 0.00 -1.46 0.00 0.00 42.92 39.89 1o1i s ASP 94 CO 0.30 -1.02 1.84 -0.65 0.52 0.00 0.00 175.17 176.16 1o1i h PRO 95 N 9.69 0.15 0.00 4.34 0.11 -1.99 0.18 132.00 144.49 1o1i h PRO 95 Ca -0.47 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1o1i h PRO 95 Cb 1.22 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1o1i h PRO 95 CO 0.94 0.10 -0.01 -0.24 -0.21 0.00 0.00 178.00 178.58 1o1i h VAL 96 N 0.16 0.11 0.00 3.15 3.04 -2.02 -2.24 116.25 118.45 1o1i h VAL 96 Ca 0.50 -0.14 -0.11 0.00 -1.01 0.00 0.00 66.70 65.94 1o1i h VAL 96 Cb 1.70 1.12 -0.02 0.00 -2.01 0.00 0.00 31.29 32.08 1o1i h VAL 96 CO -0.10 0.01 -0.54 0.78 -1.01 0.00 0.00 177.57 176.71 1o1i h ASN 97 N 0.00 0.00 0.24 3.17 -0.26 -1.33 -2.47 115.58 114.93 1o1i h ASN 97 Ca -0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.65 1o1i h ASN 97 Cb 0.12 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 1o1i h ASN 97 CO 0.00 0.54 -0.35 -0.26 -1.06 0.00 0.00 177.43 176.30 1o1i h PHE 98 N 0.00 0.19 -0.36 1.19 0.04 -1.56 0.02 116.94 116.46 1o1i h PHE 98 Ca -0.01 -0.04 -0.14 0.00 2.80 0.00 0.00 57.97 60.58 1o1i h PHE 98 Cb 1.13 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 39.23 1o1i h PHE 98 CO 0.00 0.50 -0.33 0.87 -0.60 0.00 0.00 178.31 178.75 1o1i h LYS 99 N 0.15 0.81 -0.10 1.51 1.57 -1.58 -1.74 116.57 117.19 1o1i h LYS 99 Ca 0.02 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1o1i h LYS 99 Cb 0.69 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1o1i h LYS 99 CO 0.05 1.02 0.04 -0.07 -0.57 0.00 0.00 179.45 179.92 1o1i h LEU 100 N 0.68 0.14 -0.25 2.94 3.38 -0.90 -1.43 115.31 119.86 1o1i h LEU 100 Ca 0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1o1i h LEU 100 Cb 0.88 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1o1i h LEU 100 CO 0.08 0.27 0.08 0.25 0.09 0.00 0.00 178.44 179.21 1o1i h LEU 101 N 0.00 0.37 -0.77 1.67 5.85 -1.06 -1.94 115.31 119.43 1o1i h LEU 101 Ca 0.03 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.64 1o1i h LEU 101 Cb 0.17 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 1o1i h LEU 101 CO -0.00 0.47 0.43 0.28 -0.34 0.00 0.00 178.44 179.28 1o1i h SER 102 N 0.25 0.61 -0.56 1.25 0.02 -1.25 0.13 113.55 114.00 1o1i h SER 102 Ca 0.08 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 1o1i h SER 102 Cb 0.24 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1o1i h SER 102 CO -0.00 0.36 0.05 -0.74 -1.14 0.00 0.00 176.83 175.36 1o1i h HIS 103 N 0.74 1.02 -0.12 3.45 -0.00 -1.05 -1.77 115.15 117.41 1o1i h HIS 103 Ca 0.36 -0.16 -0.08 0.00 -0.00 0.00 0.00 60.37 60.50 1o1i h HIS 103 Cb 0.31 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 1o1i h HIS 103 CO -0.07 0.91 -0.28 0.00 -0.00 0.00 0.00 177.93 178.49 1o1i h LEU 105 N 0.20 0.71 -0.51 0.00 7.12 -0.74 -1.81 115.31 120.28 1o1i h LEU 105 Ca 0.03 -0.13 -0.06 0.00 0.13 0.00 0.00 57.88 57.85 1o1i h LEU 105 Cb 0.61 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.54 1o1i h LEU 105 CO 0.04 0.64 0.06 -0.07 -0.13 0.00 0.00 178.44 178.98 1o1i h LEU 106 N 0.73 0.82 -0.46 2.25 3.38 -0.69 0.06 115.31 121.41 1o1i h LEU 106 Ca 0.19 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1o1i h LEU 106 Cb 0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1o1i h LEU 106 CO -0.02 0.89 0.29 0.58 0.09 0.00 0.00 178.44 180.27 1o1i h VAL 107 N 0.73 1.10 -0.18 1.22 2.07 -1.25 0.14 116.25 120.08 1o1i h VAL 107 Ca 0.15 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1o1i h VAL 107 Cb 0.43 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1o1i h VAL 107 CO 0.01 0.11 0.10 0.74 0.02 0.00 0.00 177.57 178.55 1o1i h THR 108 N 0.60 1.10 -0.21 2.57 2.02 -1.10 -2.22 112.91 115.68 1o1i h THR 108 Ca 0.17 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 67.08 1o1i h THR 108 Cb -0.05 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1o1i h THR 108 CO -0.05 0.10 0.11 -0.07 0.37 0.00 0.00 175.52 175.98 1o1i h LEU 109 N 0.19 0.18 -1.62 2.58 4.07 -0.66 -2.33 115.31 117.73 1o1i h LEU 109 Ca 0.06 0.00 0.15 0.00 0.08 0.00 0.00 57.88 58.18 1o1i h LEU 109 Cb 0.07 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 41.73 1o1i h LEU 109 CO -0.01 0.14 0.50 0.00 -1.08 0.00 0.00 178.44 177.99 1o1i h ALA 110 N 1.09 2.17 0.00 1.53 0.00 -0.59 0.15 119.26 123.61 1o1i h ALA 110 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1o1i h ALA 110 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1o1i h ALA 110 CO -0.04 -0.37 -0.66 0.00 0.00 0.00 0.00 179.25 178.17 1o1i h ALA 111 N 1.65 0.65 0.00 0.00 0.00 -0.87 -3.33 119.26 117.37 1o1i h ALA 111 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1o1i h ALA 111 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1o1i h ALA 111 CO -0.11 0.00 -1.48 0.72 0.00 0.00 0.00 179.25 178.38 1o1i n HIS 112 N -2.71 0.00 -3.06 0.00 -0.00 -0.83 -4.71 115.22 103.92 1o1i n HIS 112 Ca 0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.47 1o1i n HIS 112 Cb 0.53 -0.27 -0.05 0.00 -0.00 0.00 0.00 29.99 30.20 1o1i n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1o1i n LEU 113 N -1.88 4.07 -0.09 2.41 4.77 0.47 -4.94 117.00 121.81 1o1i n LEU 113 Ca -0.01 -5.59 -0.03 0.00 -0.03 0.00 0.00 56.01 50.35 1o1i n LEU 113 Cb 0.38 -0.49 0.20 0.00 -2.33 0.00 0.00 43.42 41.18 1o1i n LEU 113 CO 0.34 2.29 0.91 1.55 -1.33 0.00 0.00 177.39 181.15 1o1i h PRO 114 N 3.24 0.73 0.00 3.23 0.13 -1.82 -1.31 132.00 136.20 1o1i h PRO 114 Ca 0.14 -0.18 -0.11 0.00 -0.87 0.00 0.00 66.00 64.98 1o1i h PRO 114 Cb 0.57 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.59 1o1i h PRO 114 CO 0.80 0.73 -0.61 0.00 -0.23 0.00 0.00 178.00 178.69 1o1i h ALA 115 N 1.33 0.67 0.00 -0.56 0.00 -1.93 -3.35 119.26 115.41 1o1i h ALA 115 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1o1i h ALA 115 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1o1i h ALA 115 CO 0.01 0.65 -1.36 0.39 0.00 0.00 0.00 179.25 178.95 1o1i n GLU 116 N -3.18 0.52 -1.71 0.00 4.71 -0.96 -4.54 120.64 115.48 1o1i n GLU 116 Ca 0.01 -0.03 -0.40 0.00 -0.01 0.00 0.00 57.16 56.73 1o1i n GLU 116 Cb 0.75 -1.65 -0.01 0.00 -1.01 0.00 0.00 31.44 29.51 1o1i n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1o1i n PHE 117 N -2.30 2.71 -1.40 -0.32 7.35 -0.53 -4.75 117.46 118.22 1o1i n PHE 117 Ca -0.01 -2.96 -0.30 0.00 -0.76 0.00 0.00 57.45 53.42 1o1i n PHE 117 Cb 0.52 -2.24 0.11 0.00 0.35 0.00 0.00 39.48 38.22 1o1i n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1o1i s THR 118 N 1.13 2.88 0.32 -2.13 -4.23 -1.26 -4.79 115.64 107.56 1o1i s THR 118 Ca 0.58 0.29 0.07 0.00 -1.18 0.00 0.00 61.69 61.44 1o1i s THR 118 Cb 0.16 -2.91 0.31 0.00 1.34 0.00 0.00 72.50 71.40 1o1i s THR 118 CO -0.07 -0.37 1.81 -0.65 -0.54 0.00 0.00 174.62 174.80 1o1i h PRO 119 N -1.29 0.74 0.00 3.99 0.11 -1.99 -0.82 132.00 132.74 1o1i h PRO 119 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1o1i h PRO 119 Cb 1.28 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1o1i h PRO 119 CO 0.57 0.49 -0.00 0.00 -0.21 0.00 0.00 178.00 178.85 1o1i h ALA 120 N 1.61 -0.01 -0.33 -0.75 0.00 -1.96 -1.04 119.26 116.79 1o1i h ALA 120 Ca 0.53 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.25 1o1i h ALA 120 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1o1i h ALA 120 CO -0.30 -0.42 -0.24 0.28 0.00 0.00 0.00 179.25 178.56 1o1i h VAL 121 N -0.16 1.27 -0.90 0.00 2.07 -1.76 -1.80 116.25 114.97 1o1i h VAL 121 Ca -0.00 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.19 1o1i h VAL 121 Cb 0.16 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1o1i h VAL 121 CO 0.00 0.43 0.55 -0.74 0.02 0.00 0.00 177.57 177.83 1o1i h HIS 122 N 0.56 1.18 -0.16 1.57 6.17 -1.08 -1.18 115.15 122.22 1o1i h HIS 122 Ca 0.08 0.00 -0.16 0.00 0.71 0.00 0.00 60.37 61.00 1o1i h HIS 122 Cb 0.72 -0.39 -0.01 0.00 2.52 0.00 0.00 27.41 30.25 1o1i h HIS 122 CO 0.03 0.78 -0.55 0.00 0.71 0.00 0.00 177.93 178.90 1o1i h ALA 123 N 1.36 0.74 -0.31 5.26 0.00 -0.68 -2.26 119.26 123.38 1o1i h ALA 123 Ca 0.32 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1o1i h ALA 123 Cb -0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1o1i h ALA 123 CO -0.06 0.69 -0.24 0.77 0.00 0.00 0.00 179.25 180.41 1o1i h SER 124 N 0.37 0.75 -0.04 0.00 0.02 -0.90 -1.96 113.55 111.79 1o1i h SER 124 Ca 0.01 -0.45 -0.12 0.00 -0.84 0.00 0.00 61.79 60.39 1o1i h SER 124 Cb 1.08 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1o1i h SER 124 CO 0.10 1.04 -0.37 -0.07 -1.14 0.00 0.00 176.83 176.39 1o1i h LEU 125 N 0.47 0.57 -0.10 5.07 3.38 -1.26 -0.96 115.31 122.48 1o1i h LEU 125 Ca 0.06 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1o1i h LEU 125 Cb 0.80 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1o1i h LEU 125 CO 0.06 0.88 0.06 -0.78 0.09 0.00 0.00 178.44 178.75 1o1i h ASP 126 N 0.45 0.12 0.27 -0.43 1.82 -1.30 0.32 116.42 117.66 1o1i h ASP 126 Ca 0.05 -0.05 -0.05 0.00 -0.39 0.00 0.00 57.03 56.58 1o1i h ASP 126 Cb 0.85 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.82 1o1i h ASP 126 CO 0.07 0.14 -0.24 0.11 -1.61 0.00 0.00 179.24 177.71 1o1i h LYS 127 N 0.09 0.00 -0.10 0.28 1.57 -1.15 0.18 116.57 117.44 1o1i h LYS 127 Ca 0.03 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1o1i h LYS 127 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1o1i h LYS 127 CO -0.01 0.24 -0.20 0.35 -0.57 0.00 0.00 179.45 179.26 1o1i h PHE 128 N 0.00 0.39 -0.64 -1.35 3.57 -0.77 -1.79 116.94 116.35 1o1i h PHE 128 Ca -0.00 -0.14 -0.06 0.00 3.53 0.00 0.00 57.97 61.30 1o1i h PHE 128 Cb 0.44 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1o1i h PHE 128 CO 0.00 0.80 0.17 -0.07 -2.23 0.00 0.00 178.31 176.98 1o1i h LEU 129 N -0.14 0.96 -1.54 0.59 3.38 0.04 -2.10 115.31 116.51 1o1i h LEU 129 Ca 0.00 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.77 1o1i h LEU 129 Cb 0.78 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1o1i h LEU 129 CO 0.04 0.94 0.33 0.00 0.09 0.00 0.00 178.44 179.85 1o1i h ALA 130 N 1.06 1.70 -0.14 1.53 0.00 -0.65 -2.11 119.26 120.66 1o1i h ALA 130 Ca 0.20 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 1o1i h ALA 130 Cb 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1o1i h ALA 130 CO -0.00 0.26 -0.70 0.77 0.00 0.00 0.00 179.25 179.57 1o1i h SER 131 N 0.63 0.69 -0.60 0.00 0.02 -0.76 -2.59 113.55 110.93 1o1i h SER 131 Ca 0.19 -0.43 -0.08 0.00 -0.84 0.00 0.00 61.79 60.64 1o1i h SER 131 Cb 0.01 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1o1i h SER 131 CO -0.05 1.19 0.07 0.58 -1.14 0.00 0.00 176.83 177.49 1o1i h VAL 132 N 0.42 1.26 -0.14 2.27 2.07 -0.92 -2.12 116.25 119.09 1o1i h VAL 132 Ca -0.03 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.47 1o1i h VAL 132 Cb 1.29 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1o1i h VAL 132 CO 0.13 0.38 0.08 0.28 0.02 0.00 0.00 177.57 178.46 1o1i h SER 133 N 0.90 0.13 -0.96 0.57 0.02 -1.38 -1.90 113.55 110.93 1o1i h SER 133 Ca 0.18 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1o1i h SER 133 Cb 0.45 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.92 1o1i h SER 133 CO 0.02 0.10 0.63 0.74 -1.14 0.00 0.00 176.83 177.17 1o1i h THR 134 N 0.17 1.19 -0.33 -2.27 2.02 -1.38 -1.22 112.91 111.09 1o1i h THR 134 Ca 0.05 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 1o1i h THR 134 Cb -0.00 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.24 1o1i h THR 134 CO -0.03 0.23 0.05 0.58 0.37 0.00 0.00 175.52 176.72 1o1i h VAL 135 N 1.24 1.24 0.00 3.16 2.07 -1.22 -2.23 116.25 120.51 1o1i h VAL 135 Ca 0.37 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1o1i h VAL 135 Cb -0.05 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1o1i h VAL 135 CO -0.11 0.27 0.00 0.18 0.02 0.00 0.00 177.57 177.94 1o1i n LEU 136 N -4.60 0.00 -0.14 2.57 4.77 -0.73 -2.44 117.00 116.43 1o1i n LEU 136 Ca -0.02 0.50 0.02 0.00 -0.03 0.00 0.00 56.01 56.48 1o1i n LEU 136 Cb 0.22 -0.50 0.02 0.00 -2.33 0.00 0.00 43.42 40.83 1o1i n LEU 136 CO 0.38 -0.18 0.36 0.35 -1.33 0.00 0.00 177.39 176.97 1o1i n THR 137 N -1.50 0.25 -0.35 -5.08 -2.24 -0.52 -4.51 114.28 100.33 1o1i n THR 137 Ca 0.04 -0.63 0.07 0.00 -2.27 0.00 0.00 64.05 61.27 1o1i n THR 137 Cb 0.21 0.92 0.24 0.00 -2.10 0.00 0.00 70.33 69.60 1o1i n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1o1i h SER 138 N 0.62 0.88 0.19 3.42 4.64 -1.06 -1.47 113.55 120.77 1o1i h SER 138 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1o1i h SER 138 Cb 0.24 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1o1i h SER 138 CO 0.00 0.46 0.00 0.29 -0.87 0.00 0.00 176.83 176.71 1o1i n LYS 139 N -4.65 0.15 -0.06 4.77 4.76 -1.26 -3.44 118.16 118.42 1o1i n LYS 139 Ca 0.19 0.19 -0.02 0.00 -2.87 0.00 0.00 58.31 55.79 1o1i n LYS 139 Cb 0.36 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.04 1o1i n LYS 139 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1o1i h TYR 140 N 0.00 0.00 0.00 2.13 0.99 -1.63 -3.49 116.97 114.97 1o1i h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1o1i h TYR 140 Cb 0.09 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.82 1o1i h TYR 140 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 178.16 178.70