#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1k s SER 3 N 0.00 3.27 0.47 -1.43 1.04 -1.26 -4.79 113.70 111.00 1o1k s SER 3 Ca 0.00 1.55 0.12 0.00 0.48 0.00 0.00 55.95 58.10 1o1k s SER 3 Cb 0.00 -2.22 1.07 0.00 0.10 0.00 0.00 66.02 64.98 1o1k s SER 3 CO 0.00 -2.77 2.10 -0.65 0.98 0.00 0.00 173.24 172.90 1o1k h PRO 4 N -1.64 0.24 -0.41 4.02 0.11 -2.06 -1.44 132.00 130.82 1o1k h PRO 4 Ca -0.50 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1o1k h PRO 4 Cb 1.28 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1o1k h PRO 4 CO 0.53 0.17 -0.05 0.00 -0.21 0.00 0.00 178.00 178.44 1o1k h ALA 5 N 1.88 0.56 -0.96 -0.75 0.00 -2.00 -1.51 119.26 116.48 1o1k h ALA 5 Ca 0.07 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1o1k h ALA 5 Cb -0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 1o1k h ALA 5 CO -0.01 0.39 0.62 -0.44 0.00 0.00 0.00 179.25 179.81 1o1k h ASP 6 N 0.58 1.03 0.17 0.00 3.32 -1.64 -0.93 116.42 118.94 1o1k h ASP 6 Ca 0.11 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 1o1k h ASP 6 Cb 0.56 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1o1k h ASP 6 CO 0.03 0.70 -0.21 0.11 -1.72 0.00 0.00 179.24 178.15 1o1k h LYS 7 N 1.19 0.09 0.02 3.56 1.57 -0.84 -1.47 116.57 120.69 1o1k h LYS 7 Ca 0.39 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.95 1o1k h LYS 7 Cb 0.03 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.35 1o1k h LYS 7 CO -0.13 0.30 -0.76 1.15 -0.57 0.00 0.00 179.45 179.44 1o1k h THR 8 N 0.09 1.39 -0.68 -0.16 2.02 -0.24 -2.89 112.91 112.43 1o1k h THR 8 Ca 0.02 -2.18 -0.06 0.00 0.77 0.00 0.00 66.41 64.96 1o1k h THR 8 Cb 0.43 2.61 -0.03 0.00 -1.74 0.00 0.00 68.15 69.41 1o1k h THR 8 CO 0.03 0.64 0.20 0.78 0.37 0.00 0.00 175.52 177.55 1o1k h ASN 9 N 0.01 1.00 0.09 4.18 2.35 -1.02 -1.45 115.58 120.75 1o1k h ASN 9 Ca -0.10 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1o1k h ASN 9 Cb 1.47 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.58 1o1k h ASN 9 CO 0.15 0.95 -0.04 0.58 -1.65 0.00 0.00 177.43 177.42 1o1k h VAL 10 N 1.00 0.93 -0.52 2.81 2.07 -1.35 -0.59 116.25 120.60 1o1k h VAL 10 Ca 0.22 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 1o1k h VAL 10 Cb 0.32 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1o1k h VAL 10 CO -0.00 0.01 0.16 0.11 0.02 0.00 0.00 177.57 177.87 1o1k h LYS 11 N -0.13 0.77 -0.05 1.57 1.57 -1.38 0.98 116.57 119.89 1o1k h LYS 11 Ca -0.01 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1o1k h LYS 11 Cb 0.11 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1o1k h LYS 11 CO 0.02 0.67 -0.01 0.00 -0.57 0.00 0.00 179.45 179.56 1o1k h ALA 12 N 1.42 0.07 -0.54 3.86 0.00 -1.05 -1.20 119.26 121.82 1o1k h ALA 12 Ca 0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1o1k h ALA 12 Cb 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1o1k h ALA 12 CO -0.01 -0.23 0.19 0.00 0.00 0.00 0.00 179.25 179.20 1o1k h ALA 13 N 0.67 0.71 0.00 0.00 0.00 -0.92 -2.69 119.26 117.03 1o1k h ALA 13 Ca 0.01 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1o1k h ALA 13 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1o1k h ALA 13 CO 0.00 0.34 -0.33 2.35 0.00 0.00 0.00 179.25 181.62 1o1k h TRP 14 N 0.74 0.00 -0.20 0.00 2.91 -0.81 -2.80 115.95 115.78 1o1k h TRP 14 Ca 0.18 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.17 1o1k h TRP 14 Cb 0.24 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.89 1o1k h TRP 14 CO 0.01 0.33 0.01 0.78 -1.03 0.00 0.00 178.44 178.54 1o1k h GLY 15 N 1.99 0.38 0.94 2.65 0.00 -0.93 -2.82 103.07 105.28 1o1k h GLY 15 Ca -0.00 -0.27 0.07 0.00 0.00 0.00 0.00 47.33 47.12 1o1k h GLY 15 CO 0.04 0.25 0.52 1.70 0.00 0.00 0.00 176.54 179.06 1o1k h LYS 16 N 0.12 0.82 -0.72 4.80 1.63 -1.25 0.10 116.57 122.07 1o1k h LYS 16 Ca 0.06 -0.05 0.14 0.00 -0.85 0.00 0.00 60.65 59.95 1o1k h LYS 16 Cb 0.37 -0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 31.77 1o1k h LYS 16 CO 0.01 0.54 0.48 0.28 -3.45 0.00 0.00 179.45 177.31 1o1k h VAL 17 N 0.84 0.81 0.00 2.00 2.07 -1.25 -3.45 116.25 117.27 1o1k h VAL 17 Ca 0.35 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.73 1o1k h VAL 17 Cb 0.27 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1o1k h VAL 17 CO -0.12 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.15 1o1k n GLY 18 N -1.53 2.77 0.00 2.17 0.00 0.35 -1.06 105.19 107.89 1o1k n GLY 18 Ca 0.13 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1o1k n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o1k n ALA 19 N 8.22 2.30 1.19 4.61 0.00 -1.26 -3.17 120.51 132.40 1o1k n ALA 19 Ca 0.00 -0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.45 1o1k n ALA 19 Cb 0.00 -1.40 0.62 0.00 0.00 0.00 0.00 19.45 18.67 1o1k n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o1k n HIS 20 N -1.20 0.00 -0.28 0.00 -0.00 -0.22 -4.35 115.22 109.15 1o1k n HIS 20 Ca 0.14 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.74 1o1k n HIS 20 Cb 0.16 -0.36 -0.10 0.00 -0.00 0.00 0.00 29.99 29.70 1o1k n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1o1k h ALA 21 N 3.22 -0.63 -0.65 -1.41 0.00 -1.61 0.20 119.26 118.38 1o1k h ALA 21 Ca 0.00 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1o1k h ALA 21 Cb 0.41 1.25 -0.08 0.00 0.00 0.00 0.00 17.79 19.38 1o1k h ALA 21 CO 0.00 -0.97 0.24 0.78 0.00 0.00 0.00 179.25 179.30 1o1k h GLY 22 N -0.17 0.92 1.27 0.00 0.00 -1.85 0.16 103.07 103.40 1o1k h GLY 22 Ca 0.12 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1o1k h GLY 22 CO -0.75 -0.04 0.18 -2.09 0.00 0.00 0.00 176.54 173.84 1o1k h GLU 23 N 0.41 0.92 -0.00 4.80 4.81 -1.50 -2.21 114.58 121.81 1o1k h GLU 23 Ca 0.33 -0.18 -0.13 0.00 -0.13 0.00 0.00 59.36 59.26 1o1k h GLU 23 Cb 0.44 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1o1k h GLU 23 CO -0.34 0.79 -0.59 1.88 -0.73 0.00 0.00 179.01 180.02 1o1k h TYR 24 N 0.89 0.01 -0.29 0.92 0.05 0.81 -2.60 116.97 116.75 1o1k h TYR 24 Ca 0.20 -0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.88 1o1k h TYR 24 Cb 0.26 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 1o1k h TYR 24 CO 0.02 0.60 -0.23 0.78 -1.05 0.00 0.00 178.16 178.28 1o1k h GLY 25 N 1.77 0.60 1.16 3.88 0.00 -0.18 -1.52 103.07 108.78 1o1k h GLY 25 Ca -0.01 -0.49 -0.21 0.00 0.00 0.00 0.00 47.33 46.63 1o1k h GLY 25 CO 0.08 0.45 -0.68 0.00 0.00 0.00 0.00 176.54 176.38 1o1k h ALA 26 N 1.26 0.36 -0.37 3.60 0.00 -1.30 -2.62 119.26 120.19 1o1k h ALA 26 Ca 0.07 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1o1k h ALA 26 Cb 0.67 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1o1k h ALA 26 CO 0.05 0.67 0.22 1.49 0.00 0.00 0.00 179.25 181.68 1o1k h GLU 27 N 0.59 0.51 -0.72 0.00 4.81 -1.29 -0.73 114.58 117.75 1o1k h GLU 27 Ca -0.03 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1o1k h GLU 27 Cb 1.31 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 1o1k h GLU 27 CO 0.14 0.40 0.46 0.00 -0.73 0.00 0.00 179.01 179.28 1o1k h ALA 28 N 1.09 0.93 -0.58 2.92 0.00 -1.27 0.16 119.26 122.51 1o1k h ALA 28 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1o1k h ALA 28 Cb 0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1o1k h ALA 28 CO -0.02 0.26 0.30 -0.07 0.00 0.00 0.00 179.25 179.71 1o1k h LEU 29 N 0.90 0.73 -0.57 0.00 3.38 -1.08 0.83 115.31 119.51 1o1k h LEU 29 Ca 0.28 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1o1k h LEU 29 Cb -0.01 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1o1k h LEU 29 CO -0.10 0.63 0.27 -0.08 0.09 0.00 0.00 178.44 179.26 1o1k h GLU 30 N 0.78 0.82 -0.95 1.13 4.81 -0.42 -0.12 114.58 120.62 1o1k h GLU 30 Ca 0.20 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1o1k h GLU 30 Cb 0.08 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.27 1o1k h GLU 30 CO -0.03 0.67 0.61 0.00 -0.73 0.00 0.00 179.01 179.53 1o1k h ARG 31 N 0.77 1.27 0.12 1.92 3.08 -0.27 -2.13 114.38 119.13 1o1k h ARG 31 Ca 0.19 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1o1k h ARG 31 Cb 0.12 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1o1k h ARG 31 CO -0.02 0.86 -0.06 1.98 -1.07 0.00 0.00 179.97 181.66 1o1k h MET 32 N 1.30 -0.16 -0.51 0.04 4.05 -0.25 -0.94 114.93 118.46 1o1k h MET 32 Ca 0.35 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.83 1o1k h MET 32 Cb -0.11 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.70 1o1k h MET 32 CO -0.07 0.11 0.34 0.74 0.23 0.00 0.00 176.91 178.26 1o1k h PHE 33 N -0.43 0.48 0.18 1.39 0.04 -0.88 0.16 116.94 117.89 1o1k h PHE 33 Ca -0.02 0.01 -0.24 0.00 2.80 0.00 0.00 57.97 60.53 1o1k h PHE 33 Cb 0.34 -0.16 0.03 0.00 2.20 0.00 0.00 35.95 38.36 1o1k h PHE 33 CO 0.01 0.27 -1.05 -0.07 -0.60 0.00 0.00 178.31 176.87 1o1k h LEU 34 N 0.48 0.58 -0.03 1.54 3.38 -1.32 -3.30 115.31 116.64 1o1k h LEU 34 Ca 0.22 -0.94 -0.25 0.00 0.09 0.00 0.00 57.88 56.99 1o1k h LEU 34 Cb 0.24 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1o1k h LEU 34 CO -0.06 1.50 -1.09 0.28 0.09 0.00 0.00 178.44 179.16 1o1k h SER 35 N -0.21 0.58 -3.01 -0.43 0.02 -0.96 -3.39 113.55 106.14 1o1k h SER 35 Ca -0.19 -0.52 -0.61 0.00 -0.84 0.00 0.00 61.79 59.63 1o1k h SER 35 Cb 1.81 -0.18 -0.41 0.00 0.14 0.00 0.00 62.40 63.76 1o1k h SER 35 CO 0.19 1.34 -0.68 -0.36 -1.14 0.00 0.00 176.83 176.18 1o1k s PHE 36 N -3.04 2.91 0.45 3.45 0.08 0.55 -4.98 117.98 117.40 1o1k s PHE 36 Ca -0.06 -3.06 0.24 0.00 0.12 0.00 0.00 56.93 54.17 1o1k s PHE 36 Cb 0.08 -2.26 1.24 0.00 -0.57 0.00 0.00 43.02 41.51 1o1k s PHE 36 CO 0.89 -0.63 1.82 -1.35 -0.10 0.00 0.00 175.22 175.85 1o1k h PRO 37 N 5.57 0.25 -0.03 0.24 0.11 -1.75 -1.49 132.00 134.90 1o1k h PRO 37 Ca 0.16 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.26 1o1k h PRO 37 Cb 0.80 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 1o1k h PRO 37 CO 0.63 0.17 0.03 1.79 -0.21 0.00 0.00 178.00 180.40 1o1k h THR 38 N 0.26 0.57 0.00 -1.15 1.35 -1.92 -0.71 112.91 111.31 1o1k h THR 38 Ca 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.38 1o1k h THR 38 Cb 1.57 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1o1k h THR 38 CO -0.16 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.46 1o1k n THR 39 N -3.93 0.90 0.34 6.82 -2.24 -0.56 -2.11 114.28 113.51 1o1k n THR 39 Ca -0.02 0.44 0.15 0.00 -2.27 0.00 0.00 64.05 62.34 1o1k n THR 39 Cb 0.12 -1.40 0.56 0.00 -2.10 0.00 0.00 70.33 67.51 1o1k n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1o1k h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.32 -3.04 116.57 113.00 1o1k h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1o1k h LYS 40 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1o1k h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1o1k h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.62 -0.86 112.91 111.62 1o1k h THR 41 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1o1k h THR 41 Cb 0.52 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1o1k h THR 41 CO 0.00 0.00 -0.39 -1.22 -0.25 0.00 0.00 175.52 173.66 1o1k n TYR 42 N -2.70 0.00 -2.49 4.73 4.01 -1.15 -4.33 117.16 115.22 1o1k n TYR 42 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 1o1k n TYR 42 Cb 0.08 -0.16 0.02 0.00 -0.31 0.00 0.00 39.34 38.97 1o1k n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1o1k n PHE 43 N -0.96 2.34 0.30 -0.72 3.01 -0.33 -4.84 117.46 116.26 1o1k n PHE 43 Ca 0.09 -2.71 0.15 0.00 1.01 0.00 0.00 57.45 55.98 1o1k n PHE 43 Cb 0.35 -0.24 0.67 0.00 -0.01 0.00 0.00 39.48 40.25 1o1k n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1o1k h PRO 44 N 2.63 0.00 -0.01 -1.08 0.13 -1.75 -2.20 132.00 129.71 1o1k h PRO 44 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1o1k h PRO 44 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1o1k h PRO 44 CO 0.64 0.00 -0.17 -2.39 -0.23 0.00 0.00 178.00 175.85 1o1k n HIS 45 N -2.55 0.00 -3.91 1.56 1.44 -1.26 -4.93 115.22 105.57 1o1k n HIS 45 Ca 0.00 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.42 1o1k n HIS 45 Cb 0.17 -0.05 -0.04 0.00 0.12 0.00 0.00 29.99 30.19 1o1k n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1o1k s PHE 46 N -2.27 3.51 -0.46 -1.40 0.40 -0.83 -5.05 117.98 111.87 1o1k s PHE 46 Ca 0.29 0.23 -0.23 0.00 -0.60 0.00 0.00 56.93 56.61 1o1k s PHE 46 Cb 0.20 -1.75 0.03 0.00 0.51 0.00 0.00 43.02 42.01 1o1k s PHE 46 CO 0.44 0.55 0.81 0.34 0.70 0.00 0.00 175.22 178.06 1o1k s ASP 47 N -2.76 6.41 -0.40 1.36 -1.08 -1.26 -4.92 116.67 114.02 1o1k s ASP 47 Ca 0.35 -0.12 0.03 0.00 -0.52 0.00 0.00 52.55 52.29 1o1k s ASP 47 Cb -0.12 -2.40 0.56 0.00 -1.46 0.00 0.00 42.92 39.50 1o1k s ASP 47 CO 0.28 -0.96 1.81 0.18 0.52 0.00 0.00 175.17 177.00 1o1k n LEU 48 N 6.83 6.30 -4.86 -1.34 4.77 -1.26 -4.58 117.00 122.86 1o1k n LEU 48 Ca 0.03 -3.36 -0.31 0.00 -0.03 0.00 0.00 56.01 52.33 1o1k n LEU 48 Cb 0.48 -0.81 -0.04 0.00 -2.33 0.00 0.00 43.42 40.72 1o1k n LEU 48 CO 0.60 1.00 0.48 -0.94 -1.33 0.00 0.00 177.39 177.20 1o1k s SER 49 N -1.00 6.64 0.33 -1.43 1.04 -1.26 -4.98 113.70 113.04 1o1k s SER 49 Ca 0.49 1.28 -0.26 0.00 0.48 0.00 0.00 55.95 57.93 1o1k s SER 49 Cb 0.41 -2.38 -0.13 0.00 0.10 0.00 0.00 66.02 64.03 1o1k s SER 49 CO 0.09 -0.37 0.95 1.57 0.98 0.00 0.00 173.24 176.46 1o1k n HIS 50 N -1.02 1.03 -1.09 5.02 -0.00 -1.26 -1.60 115.22 116.30 1o1k n HIS 50 Ca 0.04 0.66 -0.03 0.00 0.46 0.00 0.00 57.72 58.85 1o1k n HIS 50 Cb 0.54 -2.21 -0.01 0.00 -0.12 0.00 0.00 29.99 28.18 1o1k n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1o1k n GLY 51 N 1.28 0.51 3.77 1.57 0.00 -1.26 -4.97 105.19 106.10 1o1k n GLY 51 Ca 0.10 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1o1k n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1o1k s SER 52 N -2.24 6.24 0.21 1.61 0.15 -0.62 -4.92 113.70 114.13 1o1k s SER 52 Ca 0.00 2.98 -0.05 0.00 0.70 0.00 0.00 55.95 59.58 1o1k s SER 52 Cb 0.00 -2.66 0.18 0.00 -1.71 0.00 0.00 66.02 61.83 1o1k s SER 52 CO 0.00 -0.94 1.64 0.00 1.20 0.00 0.00 173.24 175.14 1o1k h ALA 53 N 2.82 0.88 -0.87 5.45 0.00 -1.90 -2.03 119.26 123.62 1o1k h ALA 53 Ca -0.51 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.02 1o1k h ALA 53 Cb 1.25 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1o1k h ALA 53 CO 0.63 0.63 0.44 1.96 0.00 0.00 0.00 179.25 182.91 1o1k h GLN 54 N 0.71 1.24 -0.28 0.00 4.20 -1.91 0.44 115.11 119.51 1o1k h GLN 54 Ca 0.10 -0.17 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 1o1k h GLN 54 Cb 0.70 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1o1k h GLN 54 CO 0.05 0.94 -0.28 0.28 -0.67 0.00 0.00 178.83 179.15 1o1k h VAL 55 N 1.23 1.30 -0.55 -0.54 2.07 -1.77 -0.66 116.25 117.34 1o1k h VAL 55 Ca 0.30 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 1o1k h VAL 55 Cb 0.09 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1o1k h VAL 55 CO -0.04 0.46 0.17 0.11 0.02 0.00 0.00 177.57 178.29 1o1k h LYS 56 N 0.42 0.85 -0.39 1.57 1.57 -1.19 0.30 116.57 119.71 1o1k h LYS 56 Ca 0.04 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1o1k h LYS 56 Cb 0.85 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1o1k h LYS 56 CO 0.07 0.78 0.17 0.78 -0.57 0.00 0.00 179.45 180.68 1o1k h GLY 57 N 0.76 0.61 1.32 3.86 0.00 -0.86 -1.86 103.07 106.90 1o1k h GLY 57 Ca 0.18 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 1o1k h GLY 57 CO -0.01 0.30 -0.00 0.84 0.00 0.00 0.00 176.54 177.67 1o1k h HIS 58 N 0.48 0.88 -0.97 5.60 -0.00 -0.88 -2.58 115.15 117.68 1o1k h HIS 58 Ca 0.13 -0.13 0.07 0.00 -0.00 0.00 0.00 60.37 60.45 1o1k h HIS 58 Cb 0.16 -0.24 -0.07 0.00 -0.00 0.00 0.00 27.41 27.26 1o1k h HIS 58 CO -0.01 0.81 0.62 0.78 -0.00 0.00 0.00 177.93 180.13 1o1k h GLY 59 N 0.98 1.49 1.40 5.26 0.00 0.05 -1.35 103.07 110.90 1o1k h GLY 59 Ca 0.15 -0.45 -0.15 0.00 0.00 0.00 0.00 47.33 46.88 1o1k h GLY 59 CO 0.02 0.30 -0.44 1.70 0.00 0.00 0.00 176.54 178.12 1o1k h LYS 60 N 1.11 0.65 -0.32 4.80 3.64 -0.97 -1.16 116.57 124.33 1o1k h LYS 60 Ca 0.43 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1o1k h LYS 60 Cb 0.21 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1o1k h LYS 60 CO -0.19 0.96 0.15 0.87 -2.27 0.00 0.00 179.45 178.98 1o1k h LYS 61 N 0.53 0.46 -0.31 1.90 1.57 -1.10 0.37 116.57 119.99 1o1k h LYS 61 Ca 0.04 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1o1k h LYS 61 Cb 0.97 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 1o1k h LYS 61 CO 0.09 0.43 0.19 0.28 -0.57 0.00 0.00 179.45 179.87 1o1k h VAL 62 N 0.38 1.05 -0.73 0.50 2.07 -1.17 -1.53 116.25 116.82 1o1k h VAL 62 Ca 0.11 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1o1k h VAL 62 Cb 0.12 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1o1k h VAL 62 CO -0.01 0.07 0.40 0.00 0.02 0.00 0.00 177.57 178.05 1o1k h ALA 63 N 1.13 0.94 -0.80 1.67 0.00 -0.91 -2.15 119.26 119.14 1o1k h ALA 63 Ca 0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1o1k h ALA 63 Cb -0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1o1k h ALA 63 CO -0.04 0.46 0.34 -0.44 0.00 0.00 0.00 179.25 179.57 1o1k h ASP 64 N 1.01 1.08 -0.54 0.00 3.32 0.10 -1.44 116.42 119.96 1o1k h ASP 64 Ca 0.26 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1o1k h ASP 64 Cb 0.04 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1o1k h ASP 64 CO -0.04 0.94 0.27 0.00 -1.72 0.00 0.00 179.24 178.69 1o1k h ALA 65 N 1.18 0.70 -0.72 3.45 0.00 -0.96 -1.07 119.26 121.84 1o1k h ALA 65 Ca 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1o1k h ALA 65 Cb 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1o1k h ALA 65 CO -0.03 0.25 0.40 -0.07 0.00 0.00 0.00 179.25 179.80 1o1k h LEU 66 N 0.73 0.90 -1.30 0.00 3.38 -1.11 0.20 115.31 118.10 1o1k h LEU 66 Ca 0.19 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1o1k h LEU 66 Cb 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1o1k h LEU 66 CO -0.03 0.73 0.27 0.74 0.09 0.00 0.00 178.44 180.25 1o1k h THR 67 N 0.99 1.18 -0.38 0.22 2.02 -0.85 -0.16 112.91 115.92 1o1k h THR 67 Ca 0.25 -0.47 -0.12 0.00 0.77 0.00 0.00 66.41 66.84 1o1k h THR 67 Cb 0.03 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1o1k h THR 67 CO -0.04 0.20 -0.25 -1.13 0.37 0.00 0.00 175.52 174.67 1o1k h ASN 68 N 0.76 0.80 -0.68 4.18 -1.24 -0.18 -2.29 115.58 116.92 1o1k h ASN 68 Ca 0.19 -0.30 -0.07 0.00 0.71 0.00 0.00 56.30 56.83 1o1k h ASN 68 Cb 0.06 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.86 1o1k h ASN 68 CO -0.03 1.02 0.18 0.00 -1.29 0.00 0.00 177.43 177.30 1o1k h ALA 69 N 1.04 0.99 -0.45 1.57 0.00 0.35 -2.51 119.26 120.25 1o1k h ALA 69 Ca 0.09 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1o1k h ALA 69 Cb 0.77 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1o1k h ALA 69 CO 0.06 0.65 0.01 0.28 0.00 0.00 0.00 179.25 180.26 1o1k h VAL 70 N 1.05 1.26 0.00 0.00 2.07 -0.91 -0.20 116.25 119.52 1o1k h VAL 70 Ca 0.22 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1o1k h VAL 70 Cb 0.36 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1o1k h VAL 70 CO 0.00 0.35 0.00 0.00 0.02 0.00 0.00 177.57 177.94 1o1k n ALA 71 N -2.42 1.61 -2.54 1.67 0.00 -0.88 -2.89 120.51 115.06 1o1k n ALA 71 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.47 1o1k n ALA 71 Cb 0.29 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.46 1o1k n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o1k n HIS 72 N -2.02 1.16 0.16 0.00 8.25 -0.96 -4.90 115.22 116.91 1o1k n HIS 72 Ca 0.02 -1.76 0.16 0.00 -0.26 0.00 0.00 57.72 55.88 1o1k n HIS 72 Cb 0.20 -0.23 0.75 0.00 1.12 0.00 0.00 29.99 31.82 1o1k n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1o1k h VAL 73 N 4.99 0.66 -0.15 1.59 3.04 -0.90 -0.06 116.25 125.42 1o1k h VAL 73 Ca -0.06 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 1o1k h VAL 73 Cb 1.43 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 1o1k h VAL 73 CO 0.25 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.28 1o1k n ASP 74 N -4.12 1.98 -2.65 3.17 8.00 -1.26 -4.04 116.55 117.63 1o1k n ASP 74 Ca 0.03 -2.19 -0.04 0.00 0.71 0.00 0.00 54.79 53.29 1o1k n ASP 74 Cb 0.35 -0.48 0.01 0.00 -0.02 0.00 0.00 41.12 40.97 1o1k n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1o1k n ASP 75 N 0.13 -1.24 -0.18 -2.24 2.03 -0.07 -5.05 116.55 109.94 1o1k n ASP 75 Ca 0.07 -1.76 -0.09 0.00 0.52 0.00 0.00 54.79 53.53 1o1k n ASP 75 Cb 0.43 0.99 0.01 0.00 -0.72 0.00 0.00 41.12 41.83 1o1k n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1o1k h MET 76 N 1.26 0.81 -0.79 -0.67 2.86 -1.61 -2.58 114.93 114.21 1o1k h MET 76 Ca -0.53 -0.19 0.16 0.00 -2.06 0.00 0.00 59.70 57.08 1o1k h MET 76 Cb 1.25 -0.11 -0.10 0.00 0.06 0.00 0.00 31.60 32.69 1o1k h MET 76 CO -0.19 0.77 0.32 -1.35 1.06 0.00 0.00 176.91 177.52 1o1k h PRO 77 N 0.71 0.42 -0.11 -0.22 0.11 -1.94 0.16 132.00 131.13 1o1k h PRO 77 Ca 0.16 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 66.02 1o1k h PRO 77 Cb 0.32 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.34 1o1k h PRO 77 CO -0.00 0.28 -0.82 -0.97 -0.21 0.00 0.00 178.00 176.28 1o1k h ASN 78 N 0.44 0.83 0.33 -2.05 -1.24 -1.96 -1.69 115.58 110.23 1o1k h ASN 78 Ca 0.44 -0.57 -0.05 0.00 0.71 0.00 0.00 56.30 56.84 1o1k h ASN 78 Cb 0.71 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 1o1k h ASN 78 CO -0.43 1.36 -0.23 0.00 -1.29 0.00 0.00 177.43 176.84 1o1k h ALA 79 N 0.62 1.44 -0.25 1.57 0.00 -0.81 -2.85 119.26 118.98 1o1k h ALA 79 Ca -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1o1k h ALA 79 Cb 1.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1o1k h ALA 79 CO 0.16 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.98 1o1k n LEU 80 N -4.00 3.11 -0.21 0.00 4.77 0.44 -4.75 117.00 116.36 1o1k n LEU 80 Ca -0.02 -2.42 -0.01 0.00 -0.03 0.00 0.00 56.01 53.53 1o1k n LEU 80 Cb 0.30 -0.33 0.07 0.00 -2.33 0.00 0.00 43.42 41.14 1o1k n LEU 80 CO 0.35 0.68 0.76 -1.28 -1.33 0.00 0.00 177.39 176.57 1o1k h SER 81 N 1.57 -0.52 -0.87 -1.43 0.87 -1.05 0.56 113.55 112.68 1o1k h SER 81 Ca 0.00 0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1o1k h SER 81 Cb 0.97 0.36 -0.04 0.00 -0.44 0.00 0.00 62.40 63.25 1o1k h SER 81 CO 0.08 -0.19 0.45 0.00 -0.53 0.00 0.00 176.83 176.63 1o1k h ALA 82 N 1.61 1.15 -0.10 6.23 0.00 -1.85 -1.76 119.26 124.54 1o1k h ALA 82 Ca 0.30 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1o1k h ALA 82 Cb 0.47 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1o1k h ALA 82 CO -0.62 0.66 -0.65 -0.07 0.00 0.00 0.00 179.25 178.58 1o1k h LEU 83 N 1.23 0.43 -0.16 0.00 3.38 -1.65 -2.24 115.31 116.29 1o1k h LEU 83 Ca 0.30 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1o1k h LEU 83 Cb 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1o1k h LEU 83 CO -0.04 0.96 0.10 -1.28 0.09 0.00 0.00 178.44 178.27 1o1k h SER 84 N 0.27 0.19 -0.38 -0.43 0.87 -0.59 -0.63 113.55 112.85 1o1k h SER 84 Ca -0.01 -0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1o1k h SER 84 Cb 1.19 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 1o1k h SER 84 CO 0.11 0.17 0.24 0.44 -0.53 0.00 0.00 176.83 177.25 1o1k h ASP 85 N 0.19 0.39 -0.23 6.23 3.32 -1.27 -1.47 116.42 123.59 1o1k h ASP 85 Ca 0.06 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.13 1o1k h ASP 85 Cb 0.01 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1o1k h ASP 85 CO -0.01 0.28 0.06 0.25 -1.72 0.00 0.00 179.24 178.10 1o1k h LEU 86 N 0.48 0.04 -0.54 1.55 5.85 -1.04 0.19 115.31 121.85 1o1k h LEU 86 Ca 0.15 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.74 1o1k h LEU 86 Cb -0.02 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1o1k h LEU 86 CO -0.06 0.06 -0.63 0.45 -0.34 0.00 0.00 178.44 177.92 1o1k h HIS 87 N 0.15 0.49 -0.24 1.25 3.86 -1.03 -1.71 115.15 117.93 1o1k h HIS 87 Ca 0.10 -0.19 -0.18 0.00 -1.16 0.00 0.00 60.37 58.94 1o1k h HIS 87 Cb 0.09 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1o1k h HIS 87 CO -0.14 0.90 -0.55 0.00 0.86 0.00 0.00 177.93 179.00 1o1k h ALA 88 N 1.05 0.39 0.00 2.45 0.00 -1.03 0.48 119.26 122.60 1o1k h ALA 88 Ca -0.01 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1o1k h ALA 88 Cb 1.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1o1k h ALA 88 CO 0.11 0.61 -2.05 0.72 0.00 0.00 0.00 179.25 178.63 1o1k n HIS 89 N -4.06 0.00 0.02 0.00 8.25 0.66 -4.54 115.22 115.54 1o1k n HIS 89 Ca -0.05 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.39 1o1k n HIS 89 Cb 0.63 -0.58 -0.00 0.00 1.12 0.00 0.00 29.99 31.16 1o1k n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1o1k n LYS 90 N -2.33 0.08 -0.06 -0.41 5.02 -0.71 -4.85 118.16 114.90 1o1k n LYS 90 Ca -0.09 0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.14 1o1k n LYS 90 Cb 0.66 -0.55 -0.03 0.00 -0.02 0.00 0.00 35.03 35.09 1o1k n LYS 90 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1o1k h LEU 91 N -0.16 0.29 -1.56 -0.35 3.38 -1.49 -3.47 115.31 111.95 1o1k h LEU 91 Ca 0.00 -0.07 -0.45 0.00 0.09 0.00 0.00 57.88 57.45 1o1k h LEU 91 Cb 0.16 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1o1k h LEU 91 CO 0.00 0.27 -0.82 0.54 0.09 0.00 0.00 178.44 178.52 1o1k n ARG 92 N -4.88 -4.78 -2.46 1.13 1.74 0.17 -4.94 116.66 102.64 1o1k n ARG 92 Ca -0.03 0.57 -0.42 0.00 -0.77 0.00 0.00 57.85 57.20 1o1k n ARG 92 Cb 0.06 -5.16 -0.03 0.00 -1.02 0.00 0.00 32.46 26.31 1o1k n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1o1k s VAL 93 N -3.60 4.14 0.28 1.55 1.01 -1.26 -4.97 120.40 117.55 1o1k s VAL 93 Ca 0.21 1.55 -0.30 0.00 0.00 0.00 0.00 61.98 63.43 1o1k s VAL 93 Cb -0.10 -3.99 -0.12 0.00 0.00 0.00 0.00 36.38 32.16 1o1k s VAL 93 CO 0.83 0.13 1.56 -0.67 0.00 0.00 0.00 175.10 176.95 1o1k n ASP 94 N 3.86 3.64 -0.31 3.32 -0.08 -1.26 -4.86 116.55 120.86 1o1k n ASP 94 Ca 0.08 1.14 0.26 0.00 -1.51 0.00 0.00 54.79 54.77 1o1k n ASP 94 Cb 0.47 -1.56 0.58 0.00 2.34 0.00 0.00 41.12 42.95 1o1k n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1o1k h PRO 95 N 4.75 0.26 -0.67 -0.67 0.11 -2.00 -1.52 132.00 132.26 1o1k h PRO 95 Ca -0.46 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.74 1o1k h PRO 95 Cb 1.23 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1o1k h PRO 95 CO 0.79 0.17 0.45 -0.39 -0.21 0.00 0.00 178.00 178.81 1o1k h VAL 96 N 0.27 0.89 0.00 3.15 -1.51 -2.03 -2.23 116.25 114.79 1o1k h VAL 96 Ca 0.57 -0.17 -0.02 0.00 -1.23 0.00 0.00 66.70 65.86 1o1k h VAL 96 Cb 1.70 0.36 -0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1o1k h VAL 96 CO -0.21 0.09 -0.10 0.78 -1.23 0.00 0.00 177.57 176.91 1o1k h ASN 97 N 0.49 0.00 0.35 4.19 2.35 -1.63 -2.76 115.58 118.57 1o1k h ASN 97 Ca 0.31 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.00 1o1k h ASN 97 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1o1k h ASN 97 CO -0.10 0.10 -0.32 -0.26 -1.65 0.00 0.00 177.43 175.20 1o1k h PHE 98 N 0.00 0.00 -0.00 1.19 -1.00 -1.58 -2.42 116.94 113.13 1o1k h PHE 98 Ca -0.00 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.65 1o1k h PHE 98 Cb 0.27 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 1o1k h PHE 98 CO 0.00 0.32 -0.62 0.87 -1.61 0.00 0.00 178.31 177.28 1o1k h LYS 99 N 0.00 0.01 -0.37 1.51 1.57 -1.65 -1.94 116.57 115.70 1o1k h LYS 99 Ca -0.00 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1o1k h LYS 99 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1o1k h LYS 99 CO 0.04 0.63 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.30 1o1k h LEU 100 N 0.01 0.80 -0.27 2.94 3.38 -1.53 -1.86 115.31 118.78 1o1k h LEU 100 Ca -0.01 -0.40 -0.13 0.00 0.09 0.00 0.00 57.88 57.43 1o1k h LEU 100 Cb 1.09 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1o1k h LEU 100 CO 0.08 1.03 -0.35 0.25 0.09 0.00 0.00 178.44 179.54 1o1k h LEU 101 N 0.57 0.78 -0.61 1.67 5.85 -1.45 -2.19 115.31 119.93 1o1k h LEU 101 Ca 0.08 -0.50 0.08 0.00 0.84 0.00 0.00 57.88 58.38 1o1k h LEU 101 Cb 0.72 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1o1k h LEU 101 CO 0.05 1.12 0.28 0.28 -0.34 0.00 0.00 178.44 179.83 1o1k h SER 102 N 0.46 0.34 -0.37 1.25 0.02 -1.32 0.23 113.55 114.17 1o1k h SER 102 Ca 0.03 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1o1k h SER 102 Cb 0.93 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 1o1k h SER 102 CO 0.08 0.21 0.23 -0.74 -1.14 0.00 0.00 176.83 175.48 1o1k h HIS 103 N 0.50 0.47 0.00 3.45 -0.00 -1.25 -0.88 115.15 117.45 1o1k h HIS 103 Ca 0.29 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.61 1o1k h HIS 103 Cb 0.29 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 1o1k h HIS 103 CO -0.13 0.32 -0.30 0.00 -0.00 0.00 0.00 177.93 177.81 1o1k h LEU 105 N 0.00 0.84 -0.55 0.00 3.38 -0.09 -1.41 115.31 117.47 1o1k h LEU 105 Ca -0.00 -0.43 -0.12 0.00 0.09 0.00 0.00 57.88 57.41 1o1k h LEU 105 Cb 0.58 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1o1k h LEU 105 CO 0.04 1.20 -0.18 -0.07 0.09 0.00 0.00 178.44 179.52 1o1k h LEU 106 N 0.59 1.00 -0.64 1.67 3.38 -0.68 -0.71 115.31 119.92 1o1k h LEU 106 Ca 0.02 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1o1k h LEU 106 Cb 1.09 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1o1k h LEU 106 CO 0.11 1.15 0.33 0.58 0.09 0.00 0.00 178.44 180.69 1o1k h VAL 107 N 0.86 1.21 -0.38 1.22 2.07 -1.14 0.13 116.25 120.22 1o1k h VAL 107 Ca 0.12 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1o1k h VAL 107 Cb 0.74 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1o1k h VAL 107 CO 0.06 0.24 0.19 0.74 0.02 0.00 0.00 177.57 178.82 1o1k h THR 108 N 0.87 1.16 -0.71 2.57 2.02 -0.92 -1.59 112.91 116.31 1o1k h THR 108 Ca 0.22 -0.44 -0.07 0.00 0.77 0.00 0.00 66.41 66.89 1o1k h THR 108 Cb 0.08 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1o1k h THR 108 CO -0.03 0.17 0.19 -0.07 0.37 0.00 0.00 175.52 176.15 1o1k h LEU 109 N 0.48 1.07 -0.94 2.58 3.38 -0.88 -2.71 115.31 118.28 1o1k h LEU 109 Ca 0.13 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1o1k h LEU 109 Cb 0.10 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1o1k h LEU 109 CO -0.02 1.01 0.62 0.00 0.09 0.00 0.00 178.44 180.14 1o1k h ALA 110 N 1.09 1.23 0.00 1.53 0.00 -0.68 0.23 119.26 122.66 1o1k h ALA 110 Ca 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1o1k h ALA 110 Cb 0.35 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1o1k h ALA 110 CO -0.00 0.53 -0.07 0.00 0.00 0.00 0.00 179.25 179.71 1o1k h ALA 111 N 1.37 1.00 0.00 0.00 0.00 -1.03 -3.30 119.26 117.29 1o1k h ALA 111 Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1o1k h ALA 111 Cb -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1o1k h ALA 111 CO -0.10 0.09 -1.56 0.72 0.00 0.00 0.00 179.25 178.40 1o1k n HIS 112 N -3.17 0.00 -3.23 0.00 -0.00 -0.89 -4.76 115.22 103.16 1o1k n HIS 112 Ca 0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.43 1o1k n HIS 112 Cb 0.39 -0.29 -0.06 0.00 -0.00 0.00 0.00 29.99 30.03 1o1k n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1o1k n LEU 113 N -1.93 4.43 -0.21 2.41 4.77 0.75 -4.93 117.00 122.30 1o1k n LEU 113 Ca -0.02 -5.47 0.02 0.00 -0.03 0.00 0.00 56.01 50.51 1o1k n LEU 113 Cb 0.33 -0.75 0.12 0.00 -2.33 0.00 0.00 43.42 40.80 1o1k n LEU 113 CO 0.27 2.07 0.93 1.55 -1.33 0.00 0.00 177.39 180.89 1o1k h PRO 114 N 4.09 0.28 0.08 3.23 0.13 -1.83 -1.91 132.00 136.06 1o1k h PRO 114 Ca 0.20 -0.02 -0.25 0.00 -0.87 0.00 0.00 66.00 65.06 1o1k h PRO 114 Cb 0.61 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 1o1k h PRO 114 CO 0.92 0.19 -1.12 0.00 -0.23 0.00 0.00 178.00 177.75 1o1k h ALA 115 N 1.49 0.22 0.00 -0.56 0.00 -1.95 -3.36 119.26 115.12 1o1k h ALA 115 Ca 0.33 -0.84 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1o1k h ALA 115 Cb 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1o1k h ALA 115 CO -0.41 0.97 -0.70 0.93 0.00 0.00 0.00 179.25 180.04 1o1k h GLU 116 N 0.09 0.00 -3.50 0.00 3.07 -1.94 -3.40 114.58 108.90 1o1k h GLU 116 Ca -0.10 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 58.10 1o1k h GLU 116 Cb 1.82 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.74 1o1k h GLU 116 CO 0.18 0.20 3.40 0.34 -1.40 0.00 0.00 179.01 181.73 1o1k n PHE 117 N -2.98 2.73 -2.08 4.33 7.35 -0.73 -4.73 117.46 121.34 1o1k n PHE 117 Ca -0.01 -2.89 -0.29 0.00 -0.76 0.00 0.00 57.45 53.51 1o1k n PHE 117 Cb 0.66 -2.41 0.03 0.00 0.35 0.00 0.00 39.48 38.12 1o1k n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1o1k s THR 118 N 2.83 3.78 0.27 -2.13 -4.23 -1.26 -4.79 115.64 110.11 1o1k s THR 118 Ca 0.58 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 61.46 1o1k s THR 118 Cb 0.16 -3.54 0.26 0.00 1.34 0.00 0.00 72.50 70.71 1o1k s THR 118 CO -0.06 -0.66 1.72 -0.65 -0.54 0.00 0.00 174.62 174.44 1o1k h PRO 119 N -0.41 0.46 0.01 3.99 0.11 -1.99 0.10 132.00 134.27 1o1k h PRO 119 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1o1k h PRO 119 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1o1k h PRO 119 CO 0.63 0.30 -0.00 0.00 -0.21 0.00 0.00 178.00 178.71 1o1k h ALA 120 N 1.63 -0.01 -0.83 -0.75 0.00 -1.96 -1.46 119.26 115.88 1o1k h ALA 120 Ca 0.49 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.35 1o1k h ALA 120 Cb 0.83 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1o1k h ALA 120 CO -0.45 -0.43 0.54 0.28 0.00 0.00 0.00 179.25 179.19 1o1k h VAL 121 N -0.17 1.14 -0.47 0.00 2.07 -1.65 -1.20 116.25 115.97 1o1k h VAL 121 Ca -0.00 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.23 1o1k h VAL 121 Cb 0.17 -0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.88 1o1k h VAL 121 CO 0.00 0.19 0.14 -0.74 0.02 0.00 0.00 177.57 177.18 1o1k h HIS 122 N 1.05 0.24 -0.47 1.57 6.17 -0.61 0.38 115.15 123.48 1o1k h HIS 122 Ca 0.33 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.40 1o1k h HIS 122 Cb -0.01 -0.04 -0.02 0.00 2.52 0.00 0.00 27.41 29.87 1o1k h HIS 122 CO -0.02 0.06 0.18 0.00 0.71 0.00 0.00 177.93 178.86 1o1k h ALA 123 N 1.33 0.62 -0.47 5.26 0.00 -0.36 -1.92 119.26 123.72 1o1k h ALA 123 Ca 0.23 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1o1k h ALA 123 Cb 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1o1k h ALA 123 CO -0.26 0.24 -0.14 0.77 0.00 0.00 0.00 179.25 179.86 1o1k h SER 124 N 0.63 0.90 0.01 0.00 0.02 -0.71 -2.23 113.55 112.16 1o1k h SER 124 Ca 0.16 -0.30 -0.09 0.00 -0.84 0.00 0.00 61.79 60.72 1o1k h SER 124 Cb 0.21 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1o1k h SER 124 CO -0.01 1.04 -0.27 -0.07 -1.14 0.00 0.00 176.83 176.38 1o1k h LEU 125 N 0.79 0.41 -0.36 5.07 3.38 -0.83 0.05 115.31 123.82 1o1k h LEU 125 Ca 0.12 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1o1k h LEU 125 Cb 0.67 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1o1k h LEU 125 CO 0.05 0.67 -0.12 -0.78 0.09 0.00 0.00 178.44 178.35 1o1k h ASP 126 N 0.36 0.73 -0.65 -0.43 3.58 -1.10 -1.77 116.42 117.14 1o1k h ASP 126 Ca 0.05 -0.38 -0.08 0.00 0.42 0.00 0.00 57.03 57.04 1o1k h ASP 126 Cb 0.67 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 1o1k h ASP 126 CO 0.05 0.95 0.09 0.11 -2.88 0.00 0.00 179.24 177.56 1o1k h LYS 127 N 0.51 1.08 -0.11 0.28 1.57 -1.18 -1.95 116.57 116.77 1o1k h LYS 127 Ca 0.09 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1o1k h LYS 127 Cb 0.65 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1o1k h LYS 127 CO 0.04 1.00 0.07 0.35 -0.57 0.00 0.00 179.45 180.34 1o1k h PHE 128 N 0.99 0.15 -0.12 -1.35 3.57 -0.83 -0.37 116.94 118.98 1o1k h PHE 128 Ca 0.19 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 1o1k h PHE 128 Cb 0.46 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1o1k h PHE 128 CO 0.03 0.13 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.94 1o1k h LEU 129 N 0.12 0.21 -0.63 0.59 3.38 -1.27 -0.71 115.31 116.99 1o1k h LEU 129 Ca 0.04 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1o1k h LEU 129 Cb 0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1o1k h LEU 129 CO -0.01 0.46 -0.21 0.00 0.09 0.00 0.00 178.44 178.77 1o1k h ALA 130 N 1.57 0.82 -0.51 1.53 0.00 -0.99 -0.35 119.26 121.32 1o1k h ALA 130 Ca 0.03 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1o1k h ALA 130 Cb 0.53 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1o1k h ALA 130 CO 0.04 0.65 -0.09 0.77 0.00 0.00 0.00 179.25 180.61 1o1k h SER 131 N 0.75 0.97 -0.35 0.00 0.02 -0.44 -0.92 113.55 113.58 1o1k h SER 131 Ca 0.10 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1o1k h SER 131 Cb 0.74 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1o1k h SER 131 CO 0.06 1.09 0.17 0.58 -1.14 0.00 0.00 176.83 177.59 1o1k h VAL 132 N 0.83 1.16 -0.67 2.27 2.07 -0.91 -1.24 116.25 119.76 1o1k h VAL 132 Ca 0.13 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1o1k h VAL 132 Cb 0.65 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1o1k h VAL 132 CO 0.04 0.17 0.29 0.28 0.02 0.00 0.00 177.57 178.37 1o1k h SER 133 N 0.43 0.88 -0.53 0.57 0.02 -0.88 -0.81 113.55 113.24 1o1k h SER 133 Ca 0.12 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.88 1o1k h SER 133 Cb 0.11 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1o1k h SER 133 CO -0.02 0.77 0.01 0.74 -1.14 0.00 0.00 176.83 177.20 1o1k h THR 134 N 0.96 1.26 -0.25 -2.27 2.02 -0.81 -2.51 112.91 111.30 1o1k h THR 134 Ca 0.23 -1.09 -0.06 0.00 0.77 0.00 0.00 66.41 66.26 1o1k h THR 134 Cb 0.15 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1o1k h THR 134 CO -0.02 0.39 -0.09 0.58 0.37 0.00 0.00 175.52 176.75 1o1k h VAL 135 N 0.89 1.29 0.00 3.16 2.07 -0.69 -2.15 116.25 120.82 1o1k h VAL 135 Ca 0.17 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1o1k h VAL 135 Cb 0.51 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1o1k h VAL 135 CO 0.02 0.35 0.00 -0.07 0.02 0.00 0.00 177.57 177.90 1o1k h LEU 136 N 0.23 0.00 -2.06 2.57 3.38 -1.00 -2.69 115.31 115.74 1o1k h LEU 136 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1o1k h LEU 136 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1o1k h LEU 136 CO 0.03 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.91 1o1k n THR 137 N -2.87 0.46 0.25 0.22 -2.24 -0.96 -4.52 114.28 104.62 1o1k n THR 137 Ca -0.01 -0.73 0.09 0.00 -2.27 0.00 0.00 64.05 61.13 1o1k n THR 137 Cb 0.17 0.87 0.65 0.00 -2.10 0.00 0.00 70.33 69.91 1o1k n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1o1k h SER 138 N 1.64 0.00 -0.68 3.42 4.64 -1.03 -2.84 113.55 118.69 1o1k h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1o1k h SER 138 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1o1k h SER 138 CO 0.00 0.11 0.00 0.29 -0.87 0.00 0.00 176.83 176.36 1o1k n LYS 139 N -4.10 3.40 -0.19 4.77 5.02 -1.26 -4.54 118.16 121.26 1o1k n LYS 139 Ca -0.02 -2.79 -0.02 0.00 -2.02 0.00 0.00 58.31 53.45 1o1k n LYS 139 Cb 0.19 -1.79 0.18 0.00 -0.02 0.00 0.00 35.03 33.60 1o1k n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1o1k h TYR 140 N 4.18 0.95 0.00 2.13 -1.99 -1.83 -3.47 116.97 116.95 1o1k h TYR 140 Ca 0.00 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1o1k h TYR 140 Cb 1.30 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 39.74 1o1k h TYR 140 CO 0.68 0.72 0.00 0.54 -0.00 0.00 0.00 178.16 180.10