#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3n s LEU 2 N 0.00 4.17 0.83 7.52 1.43 -1.26 -5.06 118.68 126.32 1a3n s LEU 2 Ca 0.00 0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 53.82 1a3n s LEU 2 Cb 0.00 -2.86 0.09 0.00 0.03 0.00 0.00 46.19 43.45 1a3n s LEU 2 CO 0.00 -0.22 1.12 -0.94 0.23 0.00 0.00 176.35 176.54 1a3n s SER 3 N 1.10 4.20 0.22 2.29 1.04 -1.26 -4.82 113.70 116.47 1a3n s SER 3 Ca 0.28 1.12 -0.08 0.00 0.48 0.00 0.00 55.95 57.75 1a3n s SER 3 Cb -0.16 -1.77 0.27 0.00 0.10 0.00 0.00 66.02 64.46 1a3n s SER 3 CO 0.11 -2.13 1.81 -0.65 0.98 0.00 0.00 173.24 173.36 1a3n h PRO 4 N -1.21 0.70 -0.45 4.02 0.11 -1.99 0.16 132.00 133.34 1a3n h PRO 4 Ca -0.48 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 1a3n h PRO 4 Cb 1.30 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1a3n h PRO 4 CO 0.61 0.47 -0.12 0.00 -0.21 0.00 0.00 178.00 178.75 1a3n h ALA 5 N 1.37 0.95 -0.66 -0.75 0.00 -1.99 -1.42 119.26 116.75 1a3n h ALA 5 Ca 0.32 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a3n h ALA 5 Cb 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1a3n h ALA 5 CO -0.19 0.62 0.40 -0.44 0.00 0.00 0.00 179.25 179.63 1a3n h ASP 6 N 0.74 0.79 -0.65 0.00 3.32 -1.46 -0.28 116.42 118.88 1a3n h ASP 6 Ca 0.12 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 1a3n h ASP 6 Cb 0.61 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1a3n h ASP 6 CO 0.04 0.62 0.14 0.11 -1.72 0.00 0.00 179.24 178.43 1a3n h LYS 7 N 0.89 1.05 -0.64 3.56 1.57 -0.53 -0.10 116.57 122.38 1a3n h LYS 7 Ca 0.24 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1a3n h LYS 7 Cb -0.03 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1a3n h LYS 7 CO -0.04 0.95 0.38 1.15 -0.57 0.00 0.00 179.45 181.32 1a3n h THR 8 N 0.98 1.19 -0.54 -0.16 2.02 -1.00 -0.54 112.91 114.86 1a3n h THR 8 Ca 0.20 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 1a3n h THR 8 Cb 0.38 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1a3n h THR 8 CO 0.01 0.20 0.20 0.78 0.37 0.00 0.00 175.52 177.08 1a3n h ASN 9 N 0.87 0.76 -0.11 4.18 2.35 -0.65 -0.19 115.58 122.81 1a3n h ASN 9 Ca 0.23 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1a3n h ASN 9 Cb -0.01 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 1a3n h ASN 9 CO -0.04 0.74 0.04 0.58 -1.65 0.00 0.00 177.43 177.10 1a3n h VAL 10 N 0.74 1.15 -0.47 2.81 2.07 -0.90 -0.22 116.25 121.42 1a3n h VAL 10 Ca 0.18 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1a3n h VAL 10 Cb 0.23 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1a3n h VAL 10 CO -0.01 0.13 -0.01 0.11 0.02 0.00 0.00 177.57 177.81 1a3n h LYS 11 N 0.02 0.78 -0.31 1.57 1.57 -0.91 -0.15 116.57 119.15 1a3n h LYS 11 Ca 0.04 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1a3n h LYS 11 Cb 0.17 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1a3n h LYS 11 CO -0.00 0.79 0.09 0.00 -0.57 0.00 0.00 179.45 179.75 1a3n h ALA 12 N 1.26 0.40 -0.30 3.86 0.00 -0.87 0.97 119.26 124.59 1a3n h ALA 12 Ca 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1a3n h ALA 12 Cb 0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1a3n h ALA 12 CO 0.02 0.05 0.01 0.00 0.00 0.00 0.00 179.25 179.33 1a3n h ALA 13 N 0.92 0.40 -0.01 0.00 0.00 -0.80 -1.77 119.26 118.00 1a3n h ALA 13 Ca 0.10 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1a3n h ALA 13 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1a3n h ALA 13 CO -0.00 0.14 -0.46 2.35 0.00 0.00 0.00 179.25 181.27 1a3n h TRP 14 N 0.32 0.03 -0.62 0.00 2.91 -1.03 -2.21 115.95 115.35 1a3n h TRP 14 Ca 0.09 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.02 1a3n h TRP 14 Cb 0.41 -0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 29.03 1a3n h TRP 14 CO 0.03 0.48 0.08 0.78 -1.03 0.00 0.00 178.44 178.79 1a3n h GLY 15 N 1.37 1.11 1.87 2.65 0.00 -0.64 -2.03 103.07 107.40 1a3n h GLY 15 Ca -0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 47.33 46.48 1a3n h GLY 15 CO 0.06 0.69 -0.47 1.70 0.00 0.00 0.00 176.54 178.51 1a3n h LYS 16 N 0.96 0.14 -0.52 4.80 1.63 -0.76 -2.62 116.57 120.20 1a3n h LYS 16 Ca 0.19 -0.08 0.06 0.00 -0.85 0.00 0.00 60.65 59.97 1a3n h LYS 16 Cb 0.45 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.03 1a3n h LYS 16 CO 0.01 0.59 0.23 0.28 -3.45 0.00 0.00 179.45 177.12 1a3n h VAL 17 N 0.12 0.89 0.00 2.00 2.07 -0.93 -3.45 116.25 116.95 1a3n h VAL 17 Ca 0.01 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1a3n h VAL 17 Cb 0.89 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1a3n h VAL 17 CO 0.07 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.35 1a3n n GLY 18 N -1.26 3.22 0.00 2.17 0.00 -0.81 -1.46 105.19 107.06 1a3n n GLY 18 Ca 0.05 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1a3n n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3n n ALA 19 N 10.63 2.37 1.27 4.61 0.00 -1.26 -2.75 120.51 135.38 1a3n n ALA 19 Ca 0.00 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.42 1a3n n ALA 19 Cb 0.00 -1.40 0.41 0.00 0.00 0.00 0.00 19.45 18.46 1a3n n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1a3n n HIS 20 N -1.07 0.12 -0.11 0.00 -0.00 -0.53 -4.46 115.22 109.17 1a3n n HIS 20 Ca 0.17 -0.06 -0.09 0.00 -0.00 0.00 0.00 57.72 57.74 1a3n n HIS 20 Cb 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.07 1a3n n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1a3n h ALA 21 N 4.26 -0.30 -0.83 -1.41 0.00 -1.64 -0.70 119.26 118.65 1a3n h ALA 21 Ca 0.00 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1a3n h ALA 21 Cb 0.56 0.77 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1a3n h ALA 21 CO 0.00 -0.79 0.50 0.78 0.00 0.00 0.00 179.25 179.74 1a3n h GLY 22 N -0.30 1.26 1.01 0.00 0.00 -1.84 0.50 103.07 103.71 1a3n h GLY 22 Ca 0.15 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 1a3n h GLY 22 CO -0.53 0.21 0.30 -2.09 0.00 0.00 0.00 176.54 174.43 1a3n h GLU 23 N 0.88 1.01 -0.18 4.80 4.81 -1.68 -2.00 114.58 122.22 1a3n h GLU 23 Ca 0.38 -0.17 -0.14 0.00 -0.13 0.00 0.00 59.36 59.30 1a3n h GLU 23 Cb 0.24 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1a3n h GLU 23 CO -0.20 0.82 -0.49 1.88 -0.73 0.00 0.00 179.01 180.29 1a3n h TYR 24 N 0.96 0.59 -0.48 0.92 0.05 -0.71 -1.21 116.97 117.09 1a3n h TYR 24 Ca 0.23 -0.19 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 1a3n h TYR 24 Cb 0.17 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 1a3n h TYR 24 CO 0.01 0.88 0.17 0.78 -1.05 0.00 0.00 178.16 178.95 1a3n h GLY 25 N 1.13 0.79 1.12 3.88 0.00 -0.71 0.50 103.07 109.77 1a3n h GLY 25 Ca 0.02 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1a3n h GLY 25 CO 0.09 0.42 0.12 0.00 0.00 0.00 0.00 176.54 177.17 1a3n h ALA 26 N 1.02 0.96 -0.64 3.60 0.00 -1.13 -1.89 119.26 121.18 1a3n h ALA 26 Ca 0.16 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1a3n h ALA 26 Cb 0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1a3n h ALA 26 CO -0.01 0.66 0.16 1.49 0.00 0.00 0.00 179.25 181.55 1a3n h GLU 27 N 1.01 1.02 -0.66 0.00 4.81 -1.03 -1.49 114.58 118.26 1a3n h GLU 27 Ca 0.20 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1a3n h GLU 27 Cb 0.42 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1a3n h GLU 27 CO 0.01 0.92 0.28 0.00 -0.73 0.00 0.00 179.01 179.49 1a3n h ALA 28 N 1.06 0.85 -0.50 2.92 0.00 -0.60 0.68 119.26 123.67 1a3n h ALA 28 Ca 0.20 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1a3n h ALA 28 Cb 0.36 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1a3n h ALA 28 CO 0.00 0.45 0.33 -0.07 0.00 0.00 0.00 179.25 179.96 1a3n h LEU 29 N 0.92 0.57 -0.72 0.00 3.38 -1.13 -0.23 115.31 118.11 1a3n h LEU 29 Ca 0.22 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.19 1a3n h LEU 29 Cb 0.18 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1a3n h LEU 29 CO -0.02 0.41 0.47 -0.08 0.09 0.00 0.00 178.44 179.31 1a3n h GLU 30 N 0.67 0.94 -0.51 1.13 4.81 -0.87 0.87 114.58 121.61 1a3n h GLU 30 Ca 0.18 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1a3n h GLU 30 Cb -0.08 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.06 1a3n h GLU 30 CO -0.04 0.62 0.32 0.00 -0.73 0.00 0.00 179.01 179.18 1a3n h ARG 31 N 0.96 0.62 -0.22 1.92 3.08 -0.60 -2.15 114.38 117.99 1a3n h ARG 31 Ca 0.26 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 1a3n h ARG 31 Cb -0.10 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1a3n h ARG 31 CO -0.06 0.41 0.11 1.98 -1.07 0.00 0.00 179.97 181.34 1a3n h MET 32 N 0.64 0.31 -0.80 0.04 4.05 -0.41 -0.52 114.93 118.23 1a3n h MET 32 Ca 0.20 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 1a3n h MET 32 Cb -0.01 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.69 1a3n h MET 32 CO -0.08 0.32 0.42 0.74 0.23 0.00 0.00 176.91 178.54 1a3n h PHE 33 N 0.23 1.12 -0.14 1.39 0.04 -0.61 0.16 116.94 119.13 1a3n h PHE 33 Ca 0.08 -0.04 -0.20 0.00 2.80 0.00 0.00 57.97 60.61 1a3n h PHE 33 Cb 0.10 -0.35 0.01 0.00 2.20 0.00 0.00 35.95 37.91 1a3n h PHE 33 CO -0.03 0.79 -0.70 -0.07 -0.60 0.00 0.00 178.31 177.70 1a3n h LEU 34 N 1.12 0.86 -0.03 1.54 3.38 -1.33 -3.28 115.31 117.57 1a3n h LEU 34 Ca 0.28 -0.63 -0.26 0.00 0.09 0.00 0.00 57.88 57.36 1a3n h LEU 34 Cb 0.06 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 40.57 1a3n h LEU 34 CO -0.04 1.35 -1.03 0.28 0.09 0.00 0.00 178.44 179.10 1a3n h SER 35 N 0.42 0.86 -3.28 -0.43 0.02 -0.89 -3.39 113.55 106.86 1a3n h SER 35 Ca -0.05 -0.68 -0.62 0.00 -0.84 0.00 0.00 61.79 59.60 1a3n h SER 35 Cb 1.34 -0.26 -0.41 0.00 0.14 0.00 0.00 62.40 63.21 1a3n h SER 35 CO 0.15 1.49 -0.69 -0.36 -1.14 0.00 0.00 176.83 176.27 1a3n s PHE 36 N -3.32 2.73 0.59 3.45 0.08 0.55 -4.99 117.98 117.07 1a3n s PHE 36 Ca -0.09 -2.94 0.31 0.00 0.12 0.00 0.00 56.93 54.33 1a3n s PHE 36 Cb 0.07 -2.24 1.86 0.00 -0.57 0.00 0.00 43.02 42.14 1a3n s PHE 36 CO 0.91 -0.68 2.26 -1.35 -0.10 0.00 0.00 175.22 176.27 1a3n h PRO 37 N 5.92 0.00 0.00 0.24 0.11 -1.75 -1.75 132.00 134.77 1a3n h PRO 37 Ca 0.09 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1a3n h PRO 37 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1a3n h PRO 37 CO 0.60 0.00 -0.05 1.79 -0.21 0.00 0.00 178.00 180.14 1a3n h THR 38 N 0.00 0.25 0.00 -1.15 1.35 -1.92 -1.27 112.91 110.16 1a3n h THR 38 Ca -0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1a3n h THR 38 Cb 0.00 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1a3n h THR 38 CO 0.00 0.05 0.00 0.71 -0.25 0.00 0.00 175.52 176.03 1a3n h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.65 -2.30 112.91 117.13 1a3n h THR 39 Ca -0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1a3n h THR 39 Cb 0.26 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1a3n h THR 39 CO 0.01 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.57 1a3n n LYS 40 N -2.72 0.15 0.27 4.72 5.02 -0.48 -2.78 118.16 122.34 1a3n n LYS 40 Ca 0.00 0.40 0.18 0.00 -2.02 0.00 0.00 58.31 56.87 1a3n n LYS 40 Cb 0.21 -1.80 0.83 0.00 -0.02 0.00 0.00 35.03 34.25 1a3n n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1a3n h THR 41 N 0.00 0.00 -0.00 -0.18 1.35 -1.60 -1.90 112.91 110.57 1a3n h THR 41 Ca 0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1a3n h THR 41 Cb 0.32 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1a3n h THR 41 CO 0.00 0.00 -0.14 -1.22 -0.25 0.00 0.00 175.52 173.91 1a3n n TYR 42 N -2.93 0.00 -2.83 4.73 4.01 -1.12 -4.42 117.16 114.60 1a3n n TYR 42 Ca -0.01 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.53 1a3n n TYR 42 Cb 0.20 -0.18 -0.01 0.00 -0.31 0.00 0.00 39.34 39.04 1a3n n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1a3n n PHE 43 N -0.92 2.23 0.29 -0.72 3.01 -0.71 -4.87 117.46 115.76 1a3n n PHE 43 Ca 0.14 -3.46 0.18 0.00 1.01 0.00 0.00 57.45 55.32 1a3n n PHE 43 Cb 0.29 -0.35 0.73 0.00 -0.01 0.00 0.00 39.48 40.14 1a3n n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1a3n h PRO 44 N 2.89 0.00 -0.13 -1.08 0.13 -1.77 -2.38 132.00 129.66 1a3n h PRO 44 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1a3n h PRO 44 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1a3n h PRO 44 CO 0.67 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.05 1a3n n HIS 45 N -3.05 0.16 -4.54 1.56 1.44 -1.26 -4.89 115.22 104.65 1a3n n HIS 45 Ca 0.00 -0.08 -0.31 0.00 -2.01 0.00 0.00 57.72 55.33 1a3n n HIS 45 Cb 0.28 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.27 1a3n n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1a3n s PHE 46 N -1.84 2.61 -0.35 -1.40 0.40 -0.90 -5.08 117.98 111.42 1a3n s PHE 46 Ca 0.33 -0.22 -0.25 0.00 -0.60 0.00 0.00 56.93 56.18 1a3n s PHE 46 Cb 0.17 -1.46 0.01 0.00 0.51 0.00 0.00 43.02 42.26 1a3n s PHE 46 CO 0.27 0.30 0.90 0.34 0.70 0.00 0.00 175.22 177.73 1a3n s ASP 47 N -1.63 6.69 -0.14 1.36 -1.08 -1.26 -4.92 116.67 115.70 1a3n s ASP 47 Ca 0.16 0.63 0.17 0.00 -0.52 0.00 0.00 52.55 52.99 1a3n s ASP 47 Cb -0.11 -2.45 0.73 0.00 -1.46 0.00 0.00 42.92 39.63 1a3n s ASP 47 CO 0.07 -0.79 1.63 0.18 0.52 0.00 0.00 175.17 176.79 1a3n n LEU 48 N 6.61 4.88 -4.75 -1.34 4.77 -1.26 -4.58 117.00 121.33 1a3n n LEU 48 Ca 0.06 -2.47 -0.31 0.00 -0.03 0.00 0.00 56.01 53.26 1a3n n LEU 48 Cb 0.48 -0.60 0.10 0.00 -2.33 0.00 0.00 43.42 41.07 1a3n n LEU 48 CO 0.56 0.75 0.71 -0.94 -1.33 0.00 0.00 177.39 177.14 1a3n s SER 49 N -0.85 4.31 0.19 -1.43 1.04 -1.26 -4.86 113.70 110.85 1a3n s SER 49 Ca 0.51 1.92 -0.33 0.00 0.48 0.00 0.00 55.95 58.54 1a3n s SER 49 Cb 0.34 -2.53 -0.14 0.00 0.10 0.00 0.00 66.02 63.78 1a3n s SER 49 CO 0.22 -2.17 1.41 1.57 0.98 0.00 0.00 173.24 175.25 1a3n n HIS 50 N -3.47 2.00 -0.47 5.02 -0.00 -1.26 -1.25 115.22 115.79 1a3n n HIS 50 Ca 0.10 0.45 0.00 0.00 0.46 0.00 0.00 57.72 58.73 1a3n n HIS 50 Cb 0.53 -2.44 0.00 0.00 -0.12 0.00 0.00 29.99 27.95 1a3n n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1a3n n GLY 51 N 2.49 1.02 3.62 1.57 0.00 -1.26 -5.01 105.19 107.61 1a3n n GLY 51 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 1a3n n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a3n n SER 52 N 0.00 1.90 0.23 1.61 2.88 -0.38 -4.87 113.62 114.99 1a3n n SER 52 Ca 0.00 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.81 1a3n n SER 52 Cb 0.00 -1.32 0.43 0.00 -0.75 0.00 0.00 64.21 62.58 1a3n n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a3n h ALA 53 N 3.37 0.98 -0.22 -1.46 0.00 -1.91 -2.01 119.26 118.01 1a3n h ALA 53 Ca -0.43 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.22 1a3n h ALA 53 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1a3n h ALA 53 CO 0.70 0.16 -0.44 1.96 0.00 0.00 0.00 179.25 181.63 1a3n h GLN 54 N 0.00 0.69 -0.62 0.00 4.20 -1.89 -0.07 115.11 117.42 1a3n h GLN 54 Ca -0.00 -0.44 -0.10 0.00 0.06 0.00 0.00 58.65 58.17 1a3n h GLN 54 Cb 0.78 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 1a3n h GLN 54 CO 0.02 1.07 0.02 0.28 -0.67 0.00 0.00 178.83 179.54 1a3n h VAL 55 N 0.40 1.27 -0.68 -0.54 2.07 -1.77 -0.46 116.25 116.54 1a3n h VAL 55 Ca 0.01 -1.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.31 1a3n h VAL 55 Cb 1.04 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1a3n h VAL 55 CO 0.10 0.42 0.12 0.11 0.02 0.00 0.00 177.57 178.33 1a3n h LYS 56 N 1.00 1.12 -0.23 1.57 1.57 -1.32 0.37 116.57 120.65 1a3n h LYS 56 Ca 0.18 -0.30 -0.16 0.00 -1.87 0.00 0.00 60.65 58.50 1a3n h LYS 56 Cb 0.54 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1a3n h LYS 56 CO 0.03 1.02 -0.51 0.78 -0.57 0.00 0.00 179.45 180.20 1a3n h GLY 57 N 1.06 0.71 1.10 3.86 0.00 -0.74 -1.79 103.07 107.26 1a3n h GLY 57 Ca 0.21 -0.80 -0.13 0.00 0.00 0.00 0.00 47.33 46.61 1a3n h GLY 57 CO 0.01 0.72 -0.18 0.84 0.00 0.00 0.00 176.54 177.93 1a3n h HIS 58 N 0.51 1.14 -0.83 5.60 -0.00 -0.89 -2.61 115.15 118.07 1a3n h HIS 58 Ca 0.02 -0.27 0.02 0.00 -0.00 0.00 0.00 60.37 60.14 1a3n h HIS 58 Cb 1.06 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 28.16 1a3n h HIS 58 CO 0.05 1.09 0.55 0.78 -0.00 0.00 0.00 177.93 180.40 1a3n h GLY 59 N 0.86 1.17 1.02 5.26 0.00 -0.11 -0.85 103.07 110.43 1a3n h GLY 59 Ca 0.12 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 1a3n h GLY 59 CO 0.06 0.40 0.03 1.70 0.00 0.00 0.00 176.54 178.73 1a3n h LYS 60 N 1.09 0.91 -0.44 4.80 3.64 -1.08 -1.29 116.57 124.20 1a3n h LYS 60 Ca 0.31 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1a3n h LYS 60 Cb -0.07 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1a3n h LYS 60 CO -0.08 0.91 0.17 0.87 -2.27 0.00 0.00 179.45 179.06 1a3n h LYS 61 N 0.78 0.65 -0.34 1.90 1.57 -0.93 0.06 116.57 120.27 1a3n h LYS 61 Ca 0.15 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1a3n h LYS 61 Cb 0.48 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1a3n h LYS 61 CO 0.02 0.60 0.22 0.28 -0.57 0.00 0.00 179.45 180.00 1a3n h VAL 62 N 0.56 1.09 -0.61 0.50 2.07 -1.10 -1.53 116.25 117.24 1a3n h VAL 62 Ca 0.15 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1a3n h VAL 62 Cb 0.19 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1a3n h VAL 62 CO -0.01 0.08 0.16 0.00 0.02 0.00 0.00 177.57 177.82 1a3n h ALA 63 N 1.12 0.80 -0.42 1.67 0.00 -1.09 -1.03 119.26 120.30 1a3n h ALA 63 Ca 0.12 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1a3n h ALA 63 Cb -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1a3n h ALA 63 CO -0.03 0.49 0.02 -0.44 0.00 0.00 0.00 179.25 179.30 1a3n h ASP 64 N 0.88 0.63 -0.57 0.00 3.32 -0.78 0.33 116.42 120.23 1a3n h ASP 64 Ca 0.19 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 1a3n h ASP 64 Cb 0.34 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1a3n h ASP 64 CO -0.00 0.69 0.12 0.00 -1.72 0.00 0.00 179.24 178.33 1a3n h ALA 65 N 1.39 1.07 -0.25 3.45 0.00 -0.91 -1.24 119.26 122.76 1a3n h ALA 65 Ca 0.13 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1a3n h ALA 65 Cb 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1a3n h ALA 65 CO 0.01 0.61 -0.39 -0.07 0.00 0.00 0.00 179.25 179.41 1a3n h LEU 66 N 0.91 0.62 -0.61 0.00 3.38 -0.51 0.36 115.31 119.47 1a3n h LEU 66 Ca 0.19 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1a3n h LEU 66 Cb 0.37 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1a3n h LEU 66 CO 0.00 0.95 0.22 0.74 0.09 0.00 0.00 178.44 180.44 1a3n h THR 67 N 0.49 1.24 -0.62 0.22 2.02 -0.56 0.29 112.91 115.98 1a3n h THR 67 Ca 0.04 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.43 1a3n h THR 67 Cb 0.90 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1a3n h THR 67 CO 0.08 0.30 0.28 -1.13 0.37 0.00 0.00 175.52 175.41 1a3n h ASN 68 N 0.85 0.83 -0.66 4.18 -1.24 -1.00 -1.71 115.58 116.83 1a3n h ASN 68 Ca 0.20 -0.15 -0.07 0.00 0.71 0.00 0.00 56.30 56.99 1a3n h ASN 68 Cb 0.24 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 1a3n h ASN 68 CO -0.01 0.75 0.15 0.00 -1.29 0.00 0.00 177.43 177.03 1a3n h ALA 69 N 1.12 0.99 -0.65 1.57 0.00 -0.32 -1.66 119.26 120.30 1a3n h ALA 69 Ca 0.21 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1a3n h ALA 69 Cb 0.15 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1a3n h ALA 69 CO -0.02 0.65 0.11 0.28 0.00 0.00 0.00 179.25 180.27 1a3n h VAL 70 N 1.03 1.26 0.00 0.00 2.07 -0.59 -0.91 116.25 119.10 1a3n h VAL 70 Ca 0.21 -1.01 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 1a3n h VAL 70 Cb 0.37 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1a3n h VAL 70 CO 0.00 0.38 -0.23 0.00 0.02 0.00 0.00 177.57 177.74 1a3n h ALA 71 N 1.11 1.48 -0.70 1.67 0.00 -1.07 -2.64 119.26 119.11 1a3n h ALA 71 Ca 0.20 -0.21 -0.51 0.00 0.00 0.00 0.00 54.91 54.39 1a3n h ALA 71 Cb 0.42 -0.04 -0.39 0.00 0.00 0.00 0.00 17.79 17.78 1a3n h ALA 71 CO 0.01 0.29 -0.70 0.72 0.00 0.00 0.00 179.25 179.57 1a3n n HIS 72 N -4.06 2.55 0.32 0.00 8.25 -0.65 -4.88 115.22 116.75 1a3n n HIS 72 Ca -0.02 -2.20 0.20 0.00 -0.26 0.00 0.00 57.72 55.44 1a3n n HIS 72 Cb 0.30 -0.39 1.06 0.00 1.12 0.00 0.00 29.99 32.08 1a3n n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1a3n h VAL 73 N 2.02 0.12 -0.02 1.59 3.04 -0.79 0.80 116.25 123.01 1a3n h VAL 73 Ca 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.04 1a3n h VAL 73 Cb 1.47 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 1a3n h VAL 73 CO 0.74 0.00 -0.16 0.47 -1.01 0.00 0.00 177.57 177.61 1a3n n ASP 74 N -3.23 1.88 -2.69 3.17 8.00 -1.26 -4.33 116.55 118.10 1a3n n ASP 74 Ca -0.02 -1.49 -0.08 0.00 0.71 0.00 0.00 54.79 53.92 1a3n n ASP 74 Cb 0.16 0.13 0.04 0.00 -0.02 0.00 0.00 41.12 41.43 1a3n n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1a3n n ASP 75 N 0.24 1.07 -0.14 -2.24 2.03 0.22 -4.98 116.55 112.75 1a3n n ASP 75 Ca 0.14 -2.59 -0.12 0.00 0.52 0.00 0.00 54.79 52.75 1a3n n ASP 75 Cb 0.44 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1a3n n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1a3n h MET 76 N 2.82 0.96 -0.62 -0.67 2.86 -1.62 -3.05 114.93 115.62 1a3n h MET 76 Ca -0.13 -0.44 0.11 0.00 -2.06 0.00 0.00 59.70 57.19 1a3n h MET 76 Cb 1.21 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.76 1a3n h MET 76 CO 0.39 1.11 0.15 -1.35 1.06 0.00 0.00 176.91 178.27 1a3n h PRO 77 N 0.82 0.28 -0.16 -0.22 0.11 -1.94 -0.79 132.00 130.10 1a3n h PRO 77 Ca 0.09 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.98 1a3n h PRO 77 Cb 0.85 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1a3n h PRO 77 CO 0.08 0.18 -0.71 -0.97 -0.21 0.00 0.00 178.00 176.36 1a3n h ASN 78 N 0.28 0.81 -0.64 -2.05 -1.24 -1.97 -1.89 115.58 108.89 1a3n h ASN 78 Ca 0.33 -0.51 0.00 0.00 0.71 0.00 0.00 56.30 56.83 1a3n h ASN 78 Cb 0.48 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 1a3n h ASN 78 CO -0.40 1.29 0.42 0.00 -1.29 0.00 0.00 177.43 177.45 1a3n h ALA 79 N 0.70 1.52 -0.63 1.57 0.00 -1.28 -2.54 119.26 118.60 1a3n h ALA 79 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1a3n h ALA 79 Cb 1.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1a3n h ALA 79 CO 0.14 0.44 0.00 1.28 0.00 0.00 0.00 179.25 181.11 1a3n n LEU 80 N -4.43 4.53 -0.26 0.00 4.77 -0.36 -4.63 117.00 116.62 1a3n n LEU 80 Ca 0.07 -2.28 -0.06 0.00 -0.03 0.00 0.00 56.01 53.70 1a3n n LEU 80 Cb 0.05 -0.56 0.05 0.00 -2.33 0.00 0.00 43.42 40.63 1a3n n LEU 80 CO 0.36 0.79 1.11 -1.28 -1.33 0.00 0.00 177.39 177.04 1a3n h SER 81 N 3.95 0.87 -0.46 -1.43 0.87 -0.89 0.11 113.55 116.57 1a3n h SER 81 Ca 0.00 -0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.39 1a3n h SER 81 Cb 1.37 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 63.09 1a3n h SER 81 CO 0.21 0.71 -0.02 0.00 -0.53 0.00 0.00 176.83 177.20 1a3n h ALA 82 N 1.20 1.00 -0.06 6.23 0.00 -1.82 -1.02 119.26 124.79 1a3n h ALA 82 Ca 0.25 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1a3n h ALA 82 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1a3n h ALA 82 CO -0.04 0.61 -0.45 -0.07 0.00 0.00 0.00 179.25 179.30 1a3n h LEU 83 N 0.82 0.16 -0.67 0.00 3.38 -1.68 -1.30 115.31 116.01 1a3n h LEU 83 Ca 0.15 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1a3n h LEU 83 Cb 0.51 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1a3n h LEU 83 CO 0.03 0.59 0.29 0.28 0.09 0.00 0.00 178.44 179.72 1a3n h SER 84 N 0.12 0.91 -0.32 -0.43 0.02 -0.27 -1.43 113.55 112.15 1a3n h SER 84 Ca 0.01 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 1a3n h SER 84 Cb 0.85 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1a3n h SER 84 CO 0.07 0.81 0.10 0.44 -1.14 0.00 0.00 176.83 177.11 1a3n h ASP 85 N 0.94 0.48 -0.46 3.07 3.32 -0.96 -0.27 116.42 122.53 1a3n h ASP 85 Ca 0.23 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1a3n h ASP 85 Cb 0.17 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1a3n h ASP 85 CO -0.02 0.56 0.26 0.25 -1.72 0.00 0.00 179.24 178.57 1a3n h LEU 86 N 0.37 0.57 -0.27 1.55 5.85 -1.06 -0.13 115.31 122.20 1a3n h LEU 86 Ca 0.10 -0.08 -0.20 0.00 0.84 0.00 0.00 57.88 58.54 1a3n h LEU 86 Cb 0.26 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1a3n h LEU 86 CO -0.00 0.49 -0.63 0.45 -0.34 0.00 0.00 178.44 178.41 1a3n h HIS 87 N 0.61 1.07 -0.48 1.25 3.86 -1.25 0.20 115.15 120.41 1a3n h HIS 87 Ca 0.16 -0.41 -0.10 0.00 -1.16 0.00 0.00 60.37 58.86 1a3n h HIS 87 Cb 0.04 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 1a3n h HIS 87 CO -0.02 1.24 -0.10 0.00 0.86 0.00 0.00 177.93 179.90 1a3n h ALA 88 N 0.66 0.66 0.00 2.45 0.00 -0.82 -0.20 119.26 122.01 1a3n h ALA 88 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1a3n h ALA 88 Cb 1.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1a3n h ALA 88 CO 0.13 0.55 -0.42 0.72 0.00 0.00 0.00 179.25 180.24 1a3n n HIS 89 N -4.24 0.00 0.01 0.00 8.25 -0.08 -4.57 115.22 114.59 1a3n n HIS 89 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1a3n n HIS 89 Cb 0.38 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.49 1a3n n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1a3n n LYS 90 N -1.21 0.01 -0.16 -0.41 0.00 -0.75 -4.86 118.16 110.78 1a3n n LYS 90 Ca 0.01 0.01 -0.09 0.00 0.00 0.00 0.00 58.31 58.24 1a3n n LYS 90 Cb 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 35.03 34.97 1a3n n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1a3n h LEU 91 N -0.03 0.67 -1.76 3.14 3.38 -1.13 -3.47 115.31 116.12 1a3n h LEU 91 Ca 0.00 -0.20 -0.43 0.00 0.09 0.00 0.00 57.88 57.35 1a3n h LEU 91 Cb 0.03 -0.18 0.04 0.00 0.09 0.00 0.00 40.66 40.64 1a3n h LEU 91 CO 0.00 0.69 -0.83 0.54 0.09 0.00 0.00 178.44 178.93 1a3n n ARG 92 N -4.54 -4.82 -2.18 1.13 1.74 -0.09 -4.92 116.66 102.99 1a3n n ARG 92 Ca 0.01 0.60 -0.42 0.00 -0.77 0.00 0.00 57.85 57.27 1a3n n ARG 92 Cb 0.18 -5.14 -0.03 0.00 -1.02 0.00 0.00 32.46 26.45 1a3n n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a3n s VAL 93 N -3.68 3.53 0.25 1.55 1.01 -1.26 -4.95 120.40 116.85 1a3n s VAL 93 Ca 0.03 0.98 -0.31 0.00 0.00 0.00 0.00 61.98 62.68 1a3n s VAL 93 Cb -0.01 -3.63 -0.13 0.00 0.00 0.00 0.00 36.38 32.60 1a3n s VAL 93 CO 0.82 0.02 1.40 -0.67 0.00 0.00 0.00 175.10 176.66 1a3n n ASP 94 N 5.01 2.76 0.19 3.32 -0.08 -1.26 -4.82 116.55 121.67 1a3n n ASP 94 Ca 0.13 1.15 0.18 0.00 -1.51 0.00 0.00 54.79 54.74 1a3n n ASP 94 Cb 0.43 -1.43 0.78 0.00 2.34 0.00 0.00 41.12 43.24 1a3n n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1a3n h PRO 95 N 4.04 0.00 0.00 -0.67 0.11 -2.00 -1.81 132.00 131.67 1a3n h PRO 95 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1a3n h PRO 95 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1a3n h PRO 95 CO 0.74 0.00 -0.09 -0.24 -0.21 0.00 0.00 178.00 178.20 1a3n h VAL 96 N 0.00 0.40 0.00 3.15 3.04 -2.04 -2.62 116.25 118.19 1a3n h VAL 96 Ca 0.12 -0.49 -0.01 0.00 -1.01 0.00 0.00 66.70 65.30 1a3n h VAL 96 Cb 0.88 1.35 -0.00 0.00 -2.01 0.00 0.00 31.29 31.50 1a3n h VAL 96 CO -0.00 0.09 -0.06 0.78 -1.01 0.00 0.00 177.57 177.37 1a3n h ASN 97 N 0.00 0.00 -0.45 3.17 2.35 -1.68 -3.11 115.58 115.87 1a3n h ASN 97 Ca -0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1a3n h ASN 97 Cb 0.34 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 1a3n h ASN 97 CO 0.01 0.06 0.07 -0.26 -1.65 0.00 0.00 177.43 175.66 1a3n h PHE 98 N 0.00 0.85 0.00 1.19 -1.00 -1.65 -1.57 116.94 114.76 1a3n h PHE 98 Ca -0.00 -0.10 -0.06 0.00 2.81 0.00 0.00 57.97 60.62 1a3n h PHE 98 Cb 0.70 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 1a3n h PHE 98 CO 0.00 0.74 -0.29 1.57 -1.61 0.00 0.00 178.31 178.72 1a3n h LYS 99 N 0.77 0.00 -0.13 1.51 2.10 -1.73 -0.62 116.57 118.47 1a3n h LYS 99 Ca 0.16 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.71 1a3n h LYS 99 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1a3n h LYS 99 CO 0.01 0.29 -0.31 -0.07 -2.00 0.00 0.00 179.45 177.37 1a3n h LEU 100 N 0.00 0.50 -0.55 7.07 3.38 -1.46 -1.76 115.31 122.48 1a3n h LEU 100 Ca -0.00 -0.57 -0.13 0.00 0.09 0.00 0.00 57.88 57.27 1a3n h LEU 100 Cb 0.55 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1a3n h LEU 100 CO 0.04 0.98 -0.20 0.25 0.09 0.00 0.00 178.44 179.60 1a3n h LEU 101 N 0.04 0.98 -0.42 1.67 5.85 -1.15 -1.68 115.31 120.59 1a3n h LEU 101 Ca -0.00 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.40 1a3n h LEU 101 Cb 0.91 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1a3n h LEU 101 CO 0.07 1.14 0.18 0.28 -0.34 0.00 0.00 178.44 179.76 1a3n h SER 102 N 0.83 0.22 -0.80 1.25 0.02 -1.13 0.24 113.55 114.17 1a3n h SER 102 Ca 0.11 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1a3n h SER 102 Cb 0.76 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 1a3n h SER 102 CO 0.06 0.16 0.53 -0.74 -1.14 0.00 0.00 176.83 175.70 1a3n h HIS 103 N 0.36 1.00 -0.15 3.45 -0.00 -1.16 0.15 115.15 118.80 1a3n h HIS 103 Ca 0.19 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.50 1a3n h HIS 103 Cb 0.15 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 1a3n h HIS 103 CO -0.13 0.62 -0.30 0.00 -0.00 0.00 0.00 177.93 178.12 1a3n h LEU 105 N 0.25 0.54 -0.60 0.00 3.38 0.04 -0.78 115.31 118.13 1a3n h LEU 105 Ca 0.04 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1a3n h LEU 105 Cb 0.66 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1a3n h LEU 105 CO 0.05 0.59 0.33 0.25 0.09 0.00 0.00 178.44 179.75 1a3n h LEU 106 N 0.46 0.49 -0.62 1.67 5.85 -0.46 -0.13 115.31 122.58 1a3n h LEU 106 Ca 0.12 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1a3n h LEU 106 Cb 0.23 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1a3n h LEU 106 CO -0.01 0.33 0.31 0.58 -0.34 0.00 0.00 178.44 179.31 1a3n h VAL 107 N 0.63 1.21 -0.46 1.05 2.07 -0.91 -0.45 116.25 119.39 1a3n h VAL 107 Ca 0.26 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1a3n h VAL 107 Cb 0.14 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1a3n h VAL 107 CO -0.16 0.24 0.25 0.74 0.02 0.00 0.00 177.57 178.65 1a3n h THR 108 N 0.85 1.17 -0.61 2.57 2.02 -0.78 -0.98 112.91 117.14 1a3n h THR 108 Ca 0.21 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1a3n h THR 108 Cb 0.10 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1a3n h THR 108 CO -0.03 0.18 0.34 -0.07 0.37 0.00 0.00 175.52 176.31 1a3n h LEU 109 N 0.61 0.75 -0.76 2.58 3.38 -0.76 -2.46 115.31 118.66 1a3n h LEU 109 Ca 0.16 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1a3n h LEU 109 Cb 0.07 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1a3n h LEU 109 CO -0.02 0.62 0.48 0.00 0.09 0.00 0.00 178.44 179.61 1a3n h ALA 110 N 1.16 0.99 0.00 1.53 0.00 -0.79 0.55 119.26 122.70 1a3n h ALA 110 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1a3n h ALA 110 Cb 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1a3n h ALA 110 CO -0.04 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1a3n h ALA 111 N 1.31 1.00 -0.00 0.00 0.00 -0.90 -3.11 119.26 117.55 1a3n h ALA 111 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1a3n h ALA 111 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1a3n h ALA 111 CO -0.10 0.00 -0.08 0.72 0.00 0.00 0.00 179.25 179.79 1a3n n HIS 112 N -2.36 0.00 -3.26 0.00 -0.00 -0.64 -4.86 115.22 104.11 1a3n n HIS 112 Ca 0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.49 1a3n n HIS 112 Cb 0.24 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.16 1a3n n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1a3n n LEU 113 N -0.17 2.40 -0.15 2.41 4.77 0.09 -4.95 117.00 121.40 1a3n n LEU 113 Ca 0.03 -5.19 -0.03 0.00 -0.03 0.00 0.00 56.01 50.79 1a3n n LEU 113 Cb 0.12 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1a3n n LEU 113 CO 0.06 2.12 0.90 1.55 -1.33 0.00 0.00 177.39 180.70 1a3n h PRO 114 N 3.84 0.22 -0.03 3.23 0.13 -1.86 -0.79 132.00 136.74 1a3n h PRO 114 Ca 0.14 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.16 1a3n h PRO 114 Cb 0.74 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.83 1a3n h PRO 114 CO 0.68 0.14 -0.33 0.00 -0.23 0.00 0.00 178.00 178.26 1a3n h ALA 115 N 1.38 0.08 0.00 -0.56 0.00 -1.95 -3.37 119.26 114.84 1a3n h ALA 115 Ca 0.24 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1a3n h ALA 115 Cb 0.33 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1a3n h ALA 115 CO -0.32 0.17 -0.76 0.93 0.00 0.00 0.00 179.25 179.27 1a3n h GLU 116 N -0.28 0.00 -3.53 0.00 3.07 -1.95 -3.38 114.58 108.51 1a3n h GLU 116 Ca -0.03 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.27 1a3n h GLU 116 Cb 1.03 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.96 1a3n h GLU 116 CO 0.07 0.76 3.04 0.34 -1.40 0.00 0.00 179.01 181.82 1a3n n PHE 117 N -3.54 2.08 -1.57 4.33 7.35 -0.31 -4.70 117.46 121.10 1a3n n PHE 117 Ca -0.00 -2.44 -0.29 0.00 -0.76 0.00 0.00 57.45 53.95 1a3n n PHE 117 Cb 0.76 -2.06 0.12 0.00 0.35 0.00 0.00 39.48 38.64 1a3n n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a3n s THR 118 N 3.23 2.32 0.21 -2.13 -4.23 -1.26 -4.74 115.64 109.03 1a3n s THR 118 Ca 0.53 0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 61.05 1a3n s THR 118 Cb 0.14 -2.87 0.16 0.00 1.34 0.00 0.00 72.50 71.27 1a3n s THR 118 CO -0.03 -0.13 1.73 -0.65 -0.54 0.00 0.00 174.62 175.00 1a3n h PRO 119 N -1.35 0.36 -0.67 3.99 0.11 -1.99 0.67 132.00 133.12 1a3n h PRO 119 Ca -0.49 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 1a3n h PRO 119 Cb 1.31 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1a3n h PRO 119 CO 0.61 0.24 0.30 0.00 -0.21 0.00 0.00 178.00 178.94 1a3n h ALA 120 N 1.46 0.87 -0.47 -0.75 0.00 -1.95 -1.19 119.26 117.22 1a3n h ALA 120 Ca 0.33 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1a3n h ALA 120 Cb 0.44 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1a3n h ALA 120 CO -0.35 0.46 -0.19 0.28 0.00 0.00 0.00 179.25 179.45 1a3n h VAL 121 N 0.95 1.27 -0.43 0.00 2.07 -1.69 -0.80 116.25 117.62 1a3n h VAL 121 Ca 0.23 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.46 1a3n h VAL 121 Cb 0.16 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1a3n h VAL 121 CO -0.02 0.46 0.13 -0.74 0.02 0.00 0.00 177.57 177.42 1a3n h HIS 122 N 0.81 0.22 -0.66 1.57 6.17 -0.72 0.11 115.15 122.66 1a3n h HIS 122 Ca 0.11 0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.14 1a3n h HIS 122 Cb 0.76 -0.04 -0.03 0.00 2.52 0.00 0.00 27.41 30.63 1a3n h HIS 122 CO 0.05 0.07 0.12 0.00 0.71 0.00 0.00 177.93 178.88 1a3n h ALA 123 N 1.30 0.96 -0.41 5.26 0.00 -0.86 -0.43 119.26 125.09 1a3n h ALA 123 Ca 0.21 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1a3n h ALA 123 Cb 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1a3n h ALA 123 CO -0.23 0.65 -0.30 0.77 0.00 0.00 0.00 179.25 180.14 1a3n h SER 124 N 1.01 0.93 -0.58 0.00 0.02 -0.68 -1.91 113.55 112.35 1a3n h SER 124 Ca 0.20 -0.39 -0.09 0.00 -0.84 0.00 0.00 61.79 60.68 1a3n h SER 124 Cb 0.41 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1a3n h SER 124 CO 0.01 1.16 0.03 -0.07 -1.14 0.00 0.00 176.83 176.81 1a3n h LEU 125 N 0.75 1.00 -0.54 5.07 3.38 -0.49 -0.10 115.31 124.40 1a3n h LEU 125 Ca 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1a3n h LEU 125 Cb 0.87 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1a3n h LEU 125 CO 0.08 1.04 0.31 -0.78 0.09 0.00 0.00 178.44 179.18 1a3n h ASP 126 N 0.95 0.65 -0.63 -0.43 3.58 -0.82 -0.54 116.42 119.18 1a3n h ASP 126 Ca 0.18 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 1a3n h ASP 126 Cb 0.51 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 1a3n h ASP 126 CO 0.02 0.53 0.30 0.11 -2.88 0.00 0.00 179.24 177.33 1a3n h LYS 127 N 0.72 0.91 -0.12 0.28 1.57 -1.09 -1.50 116.57 117.34 1a3n h LYS 127 Ca 0.19 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1a3n h LYS 127 Cb 0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1a3n h LYS 127 CO -0.03 0.73 0.07 0.35 -0.57 0.00 0.00 179.45 179.99 1a3n h PHE 128 N 0.87 0.16 -0.24 -1.35 3.57 -0.60 0.79 116.94 120.14 1a3n h PHE 128 Ca 0.22 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.63 1a3n h PHE 128 Cb 0.12 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1a3n h PHE 128 CO 0.00 0.15 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.93 1a3n h LEU 129 N 0.12 0.44 -0.80 0.59 3.38 -1.03 0.13 115.31 118.14 1a3n h LEU 129 Ca 0.04 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1a3n h LEU 129 Cb 0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1a3n h LEU 129 CO -0.01 0.67 -0.03 0.00 0.09 0.00 0.00 178.44 179.16 1a3n h ALA 130 N 1.36 0.99 -0.37 1.53 0.00 -0.97 0.11 119.26 121.91 1a3n h ALA 130 Ca 0.06 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 1a3n h ALA 130 Cb 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1a3n h ALA 130 CO 0.04 0.61 -0.31 0.77 0.00 0.00 0.00 179.25 180.37 1a3n h SER 131 N 0.80 0.91 -0.32 0.00 0.02 -0.01 0.06 113.55 115.01 1a3n h SER 131 Ca 0.15 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1a3n h SER 131 Cb 0.53 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1a3n h SER 131 CO 0.03 1.17 0.21 0.58 -1.14 0.00 0.00 176.83 177.68 1a3n h VAL 132 N 0.66 1.08 -0.79 2.27 2.07 -0.56 -1.26 116.25 119.71 1a3n h VAL 132 Ca 0.07 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.50 1a3n h VAL 132 Cb 0.89 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 1a3n h VAL 132 CO 0.08 0.08 0.47 0.28 0.02 0.00 0.00 177.57 178.50 1a3n h SER 133 N 0.43 0.71 -0.33 0.57 0.02 -0.57 0.07 113.55 114.44 1a3n h SER 133 Ca 0.12 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1a3n h SER 133 Cb -0.04 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1a3n h SER 133 CO -0.02 0.44 0.17 0.74 -1.14 0.00 0.00 176.83 177.01 1a3n h THR 134 N 0.83 1.15 -0.75 -2.27 2.02 -0.72 -1.95 112.91 111.23 1a3n h THR 134 Ca 0.36 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1a3n h THR 134 Cb 0.23 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1a3n h THR 134 CO -0.20 0.15 0.38 0.58 0.37 0.00 0.00 175.52 176.80 1a3n h VAL 135 N 0.41 1.24 0.00 3.16 2.07 -0.73 -1.76 116.25 120.63 1a3n h VAL 135 Ca 0.12 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1a3n h VAL 135 Cb 0.09 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1a3n h VAL 135 CO -0.02 0.27 -0.07 -0.07 0.02 0.00 0.00 177.57 177.71 1a3n h LEU 136 N 1.04 0.00 -2.19 2.57 3.38 -0.62 -2.41 115.31 117.08 1a3n h LEU 136 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1a3n h LEU 136 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1a3n h LEU 136 CO -0.04 0.07 0.00 0.35 0.09 0.00 0.00 178.44 178.91 1a3n n THR 137 N -3.45 0.46 0.29 0.22 -2.24 -0.77 -4.53 114.28 104.27 1a3n n THR 137 Ca -0.02 -0.73 0.18 0.00 -2.27 0.00 0.00 64.05 61.21 1a3n n THR 137 Cb 0.20 0.96 0.87 0.00 -2.10 0.00 0.00 70.33 70.26 1a3n n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1a3n h SER 138 N 3.18 0.00 -0.42 3.42 4.64 -0.80 -2.72 113.55 120.85 1a3n h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a3n h SER 138 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1a3n h SER 138 CO 0.00 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 1a3n n LYS 139 N -3.25 3.34 0.21 4.77 5.02 -1.26 -4.64 118.16 122.34 1a3n n LYS 139 Ca -0.01 -2.70 0.06 0.00 -2.02 0.00 0.00 58.31 53.64 1a3n n LYS 139 Cb 0.21 -1.76 0.45 0.00 -0.02 0.00 0.00 35.03 33.91 1a3n n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1a3n h TYR 140 N 2.71 0.00 0.00 2.13 -1.99 -1.80 -3.46 116.97 114.55 1a3n h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1a3n h TYR 140 Cb 1.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.06 1a3n h TYR 140 CO 0.57 0.31 0.00 2.89 -0.00 0.00 0.00 178.16 181.92