#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2apl h SER 3 N 0.00 0.38 -0.59 4.39 0.87 -2.05 -2.89 113.55 113.66 2apl h SER 3 Ca 0.00 -0.87 0.12 0.00 -1.23 0.00 0.00 61.79 59.81 2apl h SER 3 Cb 0.00 -0.12 -0.09 0.00 -0.44 0.00 0.00 62.40 61.75 2apl h SER 3 CO 0.00 1.21 0.05 0.74 -0.53 0.00 0.00 176.83 178.31 2apl h THR 4 N -0.41 0.57 -0.42 2.23 2.02 -2.04 -0.16 112.91 114.69 2apl h THR 4 Ca -0.08 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 2apl h THR 4 Cb 1.35 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 2apl h THR 4 CO 0.10 0.03 0.02 -0.33 0.37 0.00 0.00 175.52 175.71 2apl h GLU 5 N 0.17 0.67 -0.33 6.66 5.08 -1.99 0.22 114.58 125.07 2apl h GLU 5 Ca 0.31 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 2apl h GLU 5 Cb 0.49 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2apl h GLU 5 CO -0.46 0.68 -0.19 -0.22 -1.00 0.00 0.00 179.01 177.81 2apl h LYS 6 N 0.64 0.71 -0.25 2.33 3.64 -1.20 -0.85 116.57 121.60 2apl h LYS 6 Ca 0.13 -0.33 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 2apl h LYS 6 Cb 0.37 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2apl h LYS 6 CO 0.01 0.93 0.03 -0.22 -2.27 0.00 0.00 179.45 177.94 2apl h LYS 7 N 0.48 0.42 -0.55 1.90 3.64 -0.70 -1.81 116.57 119.95 2apl h LYS 7 Ca 0.07 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 2apl h LYS 7 Cb 0.74 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 2apl h LYS 7 CO 0.05 0.56 -0.04 0.93 -2.27 0.00 0.00 179.45 178.68 2apl h GLU 8 N 0.21 1.00 -0.41 1.90 4.39 -0.61 -1.78 114.58 119.28 2apl h GLU 8 Ca 0.07 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 2apl h GLU 8 Cb 0.35 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2apl h GLU 8 CO 0.01 1.02 0.23 1.25 -1.16 0.00 0.00 179.01 180.36 2apl h LEU 9 N 0.88 0.51 -1.39 1.33 5.85 -1.04 -1.19 115.31 120.26 2apl h LEU 9 Ca 0.15 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2apl h LEU 9 Cb 0.60 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2apl h LEU 9 CO 0.04 0.45 0.26 0.28 -0.34 0.00 0.00 178.44 179.12 2apl h SER 10 N 0.53 0.60 -0.12 1.25 0.02 -1.20 0.69 113.55 115.32 2apl h SER 10 Ca 0.15 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2apl h SER 10 Cb 0.05 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 2apl h SER 10 CO -0.02 0.49 0.01 -0.74 -1.14 0.00 0.00 176.83 175.43 2apl h HIS 11 N 0.68 0.23 -0.35 3.45 -0.00 -0.86 -1.40 115.15 116.90 2apl h HIS 11 Ca 0.17 -0.04 -0.07 0.00 -0.00 0.00 0.00 60.37 60.44 2apl h HIS 11 Cb 0.03 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 2apl h HIS 11 CO 0.00 0.43 -0.04 0.74 -0.00 0.00 0.00 177.93 179.06 2apl h PHE 12 N -0.03 0.72 -0.32 5.26 0.04 -0.87 -1.69 116.94 120.05 2apl h PHE 12 Ca 0.04 -0.14 0.05 0.00 2.80 0.00 0.00 57.97 60.72 2apl h PHE 12 Cb 0.33 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.25 2apl h PHE 12 CO 0.03 0.79 0.01 -0.09 -0.60 0.00 0.00 178.31 178.44 2apl h ARG 13 N 0.45 0.10 -0.42 1.51 2.43 -0.85 -1.85 114.38 115.76 2apl h ARG 13 Ca 0.09 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2apl h ARG 13 Cb 0.53 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 2apl h ARG 13 CO 0.03 0.07 0.23 1.25 -1.51 0.00 0.00 179.97 180.04 2apl h LEU 14 N 0.10 0.36 -1.03 3.80 5.85 -1.11 0.88 115.31 124.15 2apl h LEU 14 Ca 0.15 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.93 2apl h LEU 14 Cb 0.20 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 2apl h LEU 14 CO -0.25 0.26 0.65 0.11 -0.34 0.00 0.00 178.44 178.87 2apl h LYS 15 N 0.47 1.19 0.09 1.25 1.57 -1.11 -1.25 116.57 118.78 2apl h LYS 15 Ca 0.17 -0.07 -0.29 0.00 -1.87 0.00 0.00 60.65 58.59 2apl h LYS 15 Cb 0.04 -0.27 0.03 0.00 0.08 0.00 0.00 32.23 32.11 2apl h LYS 15 CO -0.10 0.78 -1.19 1.25 -0.57 0.00 0.00 179.45 179.63 2apl h LEU 16 N 1.22 0.88 -0.38 2.94 5.85 -0.91 -1.91 115.31 123.00 2apl h LEU 16 Ca 0.40 -0.81 0.03 0.00 0.84 0.00 0.00 57.88 58.34 2apl h LEU 16 Cb 0.05 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2apl h LEU 16 CO -0.14 1.59 0.19 -0.33 -0.34 0.00 0.00 178.44 179.42 2apl h GLU 17 N 0.28 0.38 -0.32 1.25 5.08 -0.57 -0.23 114.58 120.45 2apl h GLU 17 Ca -0.18 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2apl h GLU 17 Cb 1.86 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 31.01 2apl h GLU 17 CO 0.23 0.25 0.20 1.15 -1.00 0.00 0.00 179.01 179.84 2apl h THR 18 N 0.39 1.10 -0.33 1.13 2.02 -1.24 0.39 112.91 116.38 2apl h THR 18 Ca 0.16 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 2apl h THR 18 Cb 0.07 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2apl h THR 18 CO -0.11 0.10 0.18 0.22 0.37 0.00 0.00 175.52 176.28 2apl h TYR 19 N 0.42 0.45 -0.55 3.16 3.20 -1.01 -1.05 116.97 121.60 2apl h TYR 19 Ca 0.12 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 2apl h TYR 19 Cb -0.01 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 2apl h TYR 19 CO -0.04 0.37 0.09 -0.07 -1.64 0.00 0.00 178.16 176.86 2apl h LEU 20 N 0.41 0.87 -1.15 2.82 3.38 -0.93 -1.25 115.31 119.46 2apl h LEU 20 Ca 0.12 -0.26 0.12 0.00 0.09 0.00 0.00 57.88 57.95 2apl h LEU 20 Cb 0.06 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.51 2apl h LEU 20 CO -0.02 0.91 0.60 0.78 0.09 0.00 0.00 178.44 180.80 2apl h ASN 21 N 0.79 0.81 0.46 -0.43 2.35 -0.57 0.10 115.58 119.09 2apl h ASN 21 Ca 0.17 0.04 -0.30 0.00 -0.55 0.00 0.00 56.30 55.65 2apl h ASN 21 Cb 0.41 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 2apl h ASN 21 CO 0.01 0.44 -1.50 -0.33 -1.65 0.00 0.00 177.43 174.40 2apl h GLU 22 N 0.87 0.27 0.00 0.81 5.08 -0.88 -3.38 114.58 117.35 2apl h GLU 22 Ca 0.46 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2apl h GLU 22 Cb 0.53 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 2apl h GLU 22 CO -0.22 1.15 -1.10 0.72 -1.00 0.00 0.00 179.01 178.56 2apl n HIS 23 N -3.48 0.00 -3.07 4.33 8.25 -0.50 -4.73 115.22 116.02 2apl n HIS 23 Ca -0.16 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.13 2apl n HIS 23 Cb 1.04 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 32.08 2apl n HIS 23 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2apl n PHE 24 N -1.72 0.64 0.00 4.41 3.72 0.32 -4.38 117.46 120.45 2apl n PHE 24 Ca -0.01 -3.63 0.20 0.00 -0.05 0.00 0.00 57.45 53.96 2apl n PHE 24 Cb 0.20 -0.41 0.69 0.00 -0.94 0.00 0.00 39.48 39.02 2apl n PHE 24 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2apl h PRO 25 N 2.99 0.00 -1.17 -1.08 0.13 -1.61 -2.12 132.00 129.14 2apl h PRO 25 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2apl h PRO 25 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2apl h PRO 25 CO 0.52 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.44 2apl n GLU 26 N -4.37 0.28 0.00 0.86 0.00 -1.26 -4.40 120.64 111.75 2apl n GLU 26 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.26 2apl n GLU 26 Cb 0.61 -1.28 0.00 0.00 0.00 0.00 0.00 31.44 30.77 2apl n GLU 26 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2apl n SER 28 N 0.67 0.00 -1.14 -1.84 3.41 -0.80 -4.85 113.62 109.07 2apl n SER 28 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 2apl n SER 28 Cb 0.11 -0.51 0.27 0.00 -0.26 0.00 0.00 64.21 63.83 2apl n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2apl n GLY 29 N -1.94 2.87 3.53 5.00 0.00 -1.26 -4.87 105.19 108.51 2apl n GLY 29 Ca 0.00 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 2apl n GLY 29 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2apl s ASN 30 N -1.09 6.57 0.18 1.61 3.84 -1.26 -4.86 114.94 119.92 2apl s ASN 30 Ca 0.41 -1.70 -0.13 0.00 0.21 0.00 0.00 52.86 51.64 2apl s ASN 30 Cb 0.25 -2.52 0.10 0.00 -0.55 0.00 0.00 41.25 38.53 2apl s ASN 30 CO 0.22 -1.36 1.82 -1.13 -2.79 0.00 0.00 177.10 173.86 2apl h ASN 31 N 9.35 0.51 -0.93 -4.21 -1.24 -1.99 -1.59 115.58 115.47 2apl h ASN 31 Ca 0.21 0.00 0.14 0.00 0.71 0.00 0.00 56.30 57.37 2apl h ASN 31 Cb 1.00 -0.10 -0.09 0.00 0.73 0.00 0.00 38.32 39.86 2apl h ASN 31 CO 1.35 0.36 0.54 -0.65 -1.29 0.00 0.00 177.43 177.74 2apl h PRO 32 N 0.63 0.77 -0.04 6.67 0.11 -2.00 0.39 132.00 138.52 2apl h PRO 32 Ca 0.21 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 2apl h PRO 32 Cb 0.02 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 30.96 2apl h PRO 32 CO -0.09 0.51 -0.15 0.35 -0.21 0.00 0.00 178.00 178.40 2apl h PHE 33 N 0.79 0.23 -0.48 0.65 3.57 -1.87 -2.04 116.94 117.79 2apl h PHE 33 Ca 0.50 -0.10 0.06 0.00 3.53 0.00 0.00 57.97 61.96 2apl h PHE 33 Cb 0.63 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 2apl h PHE 33 CO -0.04 0.78 0.19 0.82 -2.23 0.00 0.00 178.31 177.83 2apl h ILE 34 N -0.38 0.86 0.08 1.41 2.04 -0.96 0.34 117.51 120.90 2apl h ILE 34 Ca -0.01 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.73 2apl h ILE 34 Cb 0.79 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2apl h ILE 34 CO 0.03 0.07 -0.09 0.74 0.00 0.00 0.00 178.15 178.90 2apl h THR 35 N 0.37 0.79 -0.38 -0.27 2.02 -0.98 0.08 112.91 114.54 2apl h THR 35 Ca 0.23 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.33 2apl h THR 35 Cb 0.22 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2apl h THR 35 CO -0.22 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.63 2apl h ALA 36 N 0.71 0.52 -0.39 6.16 0.00 -0.89 -1.16 119.26 124.22 2apl h ALA 36 Ca 0.01 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 2apl h ALA 36 Cb 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2apl h ALA 36 CO -0.04 0.34 -0.36 -0.09 0.00 0.00 0.00 179.25 179.10 2apl h ARG 37 N 0.52 0.92 -0.62 0.00 9.65 -0.30 -1.70 114.38 122.86 2apl h ARG 37 Ca 0.10 -0.47 0.01 0.00 -1.10 0.00 0.00 59.98 58.52 2apl h ARG 37 Cb 0.54 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.10 2apl h ARG 37 CO 0.03 1.13 0.41 0.77 2.80 0.00 0.00 179.97 185.10 2apl h SER 38 N 0.76 0.71 -0.48 -3.80 0.02 -0.89 -1.21 113.55 108.65 2apl h SER 38 Ca 0.07 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 2apl h SER 38 Cb 0.95 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.26 2apl h SER 38 CO 0.09 0.52 0.21 0.44 -1.14 0.00 0.00 176.83 176.95 2apl h ASP 39 N 0.83 0.27 -0.51 3.07 3.32 -1.14 -1.58 116.42 120.68 2apl h ASP 39 Ca 0.23 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.34 2apl h ASP 39 Cb -0.09 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 2apl h ASP 39 CO -0.05 0.19 0.30 -0.33 -1.72 0.00 0.00 179.24 177.63 2apl h GLU 40 N 0.41 0.58 -0.45 3.56 5.08 -0.94 -1.73 114.58 121.09 2apl h GLU 40 Ca 0.22 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2apl h GLU 40 Cb 0.18 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2apl h GLU 40 CO -0.19 0.38 0.26 0.00 -1.00 0.00 0.00 179.01 178.46 2apl h ALA 41 N 1.23 0.58 -0.42 3.43 0.00 -1.05 -2.00 119.26 121.02 2apl h ALA 41 Ca 0.21 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.12 2apl h ALA 41 Cb 0.03 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 2apl h ALA 41 CO -0.10 0.08 0.03 1.25 0.00 0.00 0.00 179.25 180.51 2apl h LEU 42 N 0.60 -0.12 -0.74 0.00 5.85 -1.13 -0.28 115.31 119.49 2apl h LEU 42 Ca 0.16 0.09 0.08 0.00 0.84 0.00 0.00 57.88 59.05 2apl h LEU 42 Cb 0.02 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 2apl h LEU 42 CO -0.03 -0.02 0.41 0.74 -0.34 0.00 0.00 178.44 179.20 2apl h THR 43 N 0.14 0.94 -0.57 1.05 2.02 -1.21 0.94 112.91 116.22 2apl h THR 43 Ca 0.21 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2apl h THR 43 Cb 0.29 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 2apl h THR 43 CO -0.33 0.13 0.33 0.00 0.37 0.00 0.00 175.52 176.02 2apl h ALA 44 N 1.40 0.73 0.35 6.16 0.00 -0.82 0.64 119.26 127.73 2apl h ALA 44 Ca 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2apl h ALA 44 Cb 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2apl h ALA 44 CO -0.22 0.24 -0.17 -0.92 0.00 0.00 0.00 179.25 178.18 2apl h TYR 45 N 0.77 -0.44 -0.87 0.00 3.20 -0.55 -0.89 116.97 118.19 2apl h TYR 45 Ca 0.20 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 2apl h TYR 45 Cb 0.02 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 2apl h TYR 45 CO -0.02 -0.26 0.46 0.00 -1.64 0.00 0.00 178.16 176.71 2apl h ASP 47 N 1.22 0.07 0.10 0.00 3.32 -0.82 -1.38 116.42 118.94 2apl h ASP 47 Ca 0.30 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.36 2apl h ASP 47 Cb 0.06 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2apl h ASP 47 CO -0.05 0.06 -0.08 0.00 -1.72 0.00 0.00 179.24 177.46 2apl h ALA 48 N 1.07 -0.16 -0.51 3.45 0.00 -0.71 -1.21 119.26 121.18 2apl h ALA 48 Ca 0.05 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2apl h ALA 48 Cb 0.02 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 2apl h ALA 48 CO -0.04 -0.60 -0.04 0.28 0.00 0.00 0.00 179.25 178.85 2apl h VAL 49 N -0.18 0.56 -0.14 0.00 2.07 -1.16 -1.20 116.25 116.20 2apl h VAL 49 Ca -0.00 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2apl h VAL 49 Cb 0.16 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2apl h VAL 49 CO -0.01 0.01 0.10 0.00 0.02 0.00 0.00 177.57 177.70 2apl h ALA 50 N 1.47 2.07 -0.01 1.67 0.00 -0.88 -2.56 119.26 121.02 2apl h ALA 50 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2apl h ALA 50 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2apl h ALA 50 CO -0.46 -0.11 -0.20 1.04 0.00 0.00 0.00 179.25 179.52 2apl n GLN 51 N -4.50 1.23 0.00 0.00 6.02 -0.49 -4.94 117.38 114.70 2apl n GLN 51 Ca 0.00 -0.81 0.00 0.00 -0.01 0.00 0.00 57.00 56.18 2apl n GLN 51 Cb 0.19 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.97 2apl n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2apl n GLY 52 N 1.31 0.88 3.81 1.08 0.00 -0.93 -5.08 105.19 106.27 2apl n GLY 52 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2apl n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2apl s PHE 53 N -2.00 3.13 0.88 1.61 0.08 -0.55 -5.00 117.98 116.13 2apl s PHE 53 Ca 0.00 1.51 -0.12 0.00 0.12 0.00 0.00 56.93 58.44 2apl s PHE 53 Cb 0.00 -2.95 0.12 0.00 -0.57 0.00 0.00 43.02 39.62 2apl s PHE 53 CO 0.00 -0.85 1.12 -1.54 -0.10 0.00 0.00 175.22 173.86 2apl s SER 54 N -2.77 3.75 0.16 1.36 1.04 -1.26 -4.34 113.70 111.63 2apl s SER 54 Ca 0.63 1.07 -0.17 0.00 0.48 0.00 0.00 55.95 57.95 2apl s SER 54 Cb -0.14 -1.69 0.07 0.00 0.10 0.00 0.00 66.02 64.36 2apl s SER 54 CO 0.33 -2.41 1.69 -0.74 0.98 0.00 0.00 173.24 173.09 2apl h HIS 55 N -1.40 -0.13 -0.81 5.02 2.76 -1.98 0.99 115.15 119.61 2apl h HIS 55 Ca -0.50 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 57.66 2apl h HIS 55 Cb 1.31 0.11 -0.04 0.00 1.55 0.00 0.00 27.41 30.35 2apl h HIS 55 CO 0.34 -0.12 0.33 -1.35 -1.30 0.00 0.00 177.93 175.83 2apl h PRO 56 N 0.03 1.20 -0.46 5.26 0.11 -1.99 -0.43 132.00 135.73 2apl h PRO 56 Ca 0.17 -0.21 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 2apl h PRO 56 Cb 0.25 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 2apl h PRO 56 CO -0.34 0.97 0.24 0.93 -0.21 0.00 0.00 178.00 179.59 2apl h GLU 57 N 1.17 0.66 -0.53 1.05 5.08 -1.86 -1.35 114.58 118.80 2apl h GLU 57 Ca 0.27 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2apl h GLU 57 Cb 0.21 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2apl h GLU 57 CO -0.02 0.54 0.15 0.00 -1.00 0.00 0.00 179.01 178.68 2apl h ALA 58 N 1.08 0.70 -0.66 3.43 0.00 -0.55 -2.82 119.26 120.44 2apl h ALA 58 Ca 0.16 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2apl h ALA 58 Cb 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2apl h ALA 58 CO -0.02 0.37 0.16 1.49 0.00 0.00 0.00 179.25 181.24 2apl h GLU 59 N 0.74 1.05 -0.11 0.00 4.81 -0.99 0.11 114.58 120.17 2apl h GLU 59 Ca 0.17 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2apl h GLU 59 Cb 0.30 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2apl h GLU 59 CO -0.00 0.93 0.00 0.45 -0.73 0.00 0.00 179.01 179.65 2apl n SER 60 N -4.24 0.11 0.00 1.04 2.88 -0.52 -0.95 113.62 111.95 2apl n SER 60 Ca 0.05 -0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.24 2apl n SER 60 Cb 0.25 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 2apl n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2apl n ALA 62 N 0.08 0.00 -0.08 -1.46 0.00 0.02 -1.97 120.51 117.10 2apl n ALA 62 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2apl n ALA 62 Cb 0.03 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.67 2apl n ALA 62 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2apl h SER 63 N 0.00 0.69 -0.70 0.00 0.02 -1.29 0.12 113.55 112.40 2apl h SER 63 Ca 0.00 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.74 2apl h SER 63 Cb 0.00 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 2apl h SER 63 CO 0.00 0.76 0.24 -0.33 -1.14 0.00 0.00 176.83 176.37 2apl h GLU 64 N 0.68 1.08 -0.17 3.45 4.39 -1.66 -1.93 114.58 120.43 2apl h GLU 64 Ca 0.14 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 2apl h GLU 64 Cb 0.42 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2apl h GLU 64 CO 0.02 0.91 0.09 0.28 -1.16 0.00 0.00 179.01 179.15 2apl h VAL 65 N 1.05 1.11 -0.71 3.13 2.07 -1.78 -1.37 116.25 119.75 2apl h VAL 65 Ca 0.23 -0.30 0.13 0.00 0.82 0.00 0.00 66.70 67.58 2apl h VAL 65 Cb 0.26 1.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.94 2apl h VAL 65 CO -0.01 0.10 0.26 0.25 0.02 0.00 0.00 177.57 178.19 2apl h LEU 66 N 0.17 0.24 -0.76 2.57 5.85 -0.33 -2.93 115.31 120.11 2apl h LEU 66 Ca 0.06 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2apl h LEU 66 Cb 0.08 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2apl h LEU 66 CO -0.01 0.10 -0.39 -1.22 -0.34 0.00 0.00 178.44 176.58 2apl n TYR 67 N -5.01 0.00 -1.62 1.25 4.01 -0.76 -4.95 117.16 110.07 2apl n TYR 67 Ca 0.12 0.00 -0.52 0.00 -0.16 0.00 0.00 57.90 57.34 2apl n TYR 67 Cb 0.37 -0.05 -0.06 0.00 -0.31 0.00 0.00 39.34 39.29 2apl n TYR 67 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2apl n GLN 68 N -0.32 1.27 -0.87 -0.72 -0.06 -0.53 -0.85 117.38 115.30 2apl n GLN 68 Ca 0.10 0.46 0.00 0.00 -2.00 0.00 0.00 57.00 55.56 2apl n GLN 68 Cb 0.41 -2.13 0.00 0.00 -4.06 0.00 0.00 30.24 24.47 2apl n GLN 68 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2apl n GLY 69 N 2.98 0.48 0.74 1.69 0.00 -1.26 -4.83 105.19 104.99 2apl n GLY 69 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 2apl n GLY 69 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2apl n LEU 70 N 0.00 3.48 0.09 0.99 4.77 -0.03 -4.64 117.00 121.66 2apl n LEU 70 Ca 0.00 -2.74 -0.06 0.00 -0.03 0.00 0.00 56.01 53.18 2apl n LEU 70 Cb 0.08 -0.44 0.04 0.00 -2.33 0.00 0.00 43.42 40.76 2apl n LEU 70 CO 0.00 0.68 0.33 0.45 -1.33 0.00 0.00 177.39 177.52 2apl h HIS 71 N 1.67 0.21 -3.38 -1.77 3.86 -1.87 -3.43 115.15 110.44 2apl h HIS 71 Ca 0.00 -0.11 -0.60 0.00 -1.16 0.00 0.00 60.37 58.50 2apl h HIS 71 Cb 1.21 -0.03 -0.11 0.00 1.06 0.00 0.00 27.41 29.54 2apl h HIS 71 CO 0.38 0.88 -0.35 0.12 0.86 0.00 0.00 177.93 179.82 2apl s PHE 72 N -3.34 3.41 -0.21 2.45 5.36 -1.26 -5.02 117.98 119.37 2apl s PHE 72 Ca -0.02 0.50 0.02 0.00 -0.96 0.00 0.00 56.93 56.47 2apl s PHE 72 Cb 0.11 -2.34 0.04 0.00 -0.34 0.00 0.00 43.02 40.49 2apl s PHE 72 CO 0.81 0.16 -0.13 0.45 -1.46 0.00 0.00 175.22 175.05 2apl s SER 73 N 0.67 3.69 0.19 6.13 0.15 -1.26 -4.99 113.70 118.28 2apl s SER 73 Ca 0.14 -1.00 -0.12 0.00 0.70 0.00 0.00 55.95 55.68 2apl s SER 73 Cb -0.13 -1.42 0.16 0.00 -1.71 0.00 0.00 66.02 62.92 2apl s SER 73 CO 0.04 -0.12 1.81 0.03 1.20 0.00 0.00 173.24 176.20 2apl h ARG 74 N 7.89 0.62 -0.03 5.44 3.08 -1.97 -1.40 114.38 128.01 2apl h ARG 74 Ca -0.30 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 59.75 2apl h ARG 74 Cb 1.09 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.95 2apl h ARG 74 CO 0.52 0.41 -0.26 -0.92 -1.07 0.00 0.00 179.97 178.65 2apl h TYR 75 N 0.64 -0.69 -0.98 3.04 3.20 -1.93 -1.24 116.97 119.01 2apl h TYR 75 Ca 0.25 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.19 2apl h TYR 75 Cb 0.09 0.31 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 2apl h TYR 75 CO -0.07 -0.35 0.64 -0.44 -1.64 0.00 0.00 178.16 176.30 2apl h ASP 76 N -0.38 1.03 -0.50 -2.11 3.32 -1.73 -1.66 116.42 114.39 2apl h ASP 76 Ca 0.07 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 2apl h ASP 76 Cb 0.48 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 2apl h ASP 76 CO -0.25 0.68 0.15 0.74 -1.72 0.00 0.00 179.24 178.84 2apl h THR 77 N 1.18 1.23 -0.48 0.35 2.02 -0.75 -1.36 112.91 115.11 2apl h THR 77 Ca 0.41 -0.79 -0.05 0.00 0.77 0.00 0.00 66.41 66.74 2apl h THR 77 Cb 0.10 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2apl h THR 77 CO -0.15 0.29 0.08 -0.07 0.37 0.00 0.00 175.52 176.05 2apl h LEU 78 N 0.69 0.75 -0.38 2.58 3.38 -0.90 -0.51 115.31 120.92 2apl h LEU 78 Ca 0.16 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2apl h LEU 78 Cb 0.29 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2apl h LEU 78 CO -0.00 0.82 0.23 0.58 0.09 0.00 0.00 178.44 180.15 2apl h VAL 79 N 0.66 1.05 -0.26 1.22 2.07 -1.16 -0.38 116.25 119.44 2apl h VAL 79 Ca 0.15 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 2apl h VAL 79 Cb 0.38 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2apl h VAL 79 CO 0.01 0.08 0.09 -1.28 0.02 0.00 0.00 177.57 176.49 2apl h SER 80 N 0.46 0.38 -0.27 0.57 0.87 -1.09 0.23 113.55 114.70 2apl h SER 80 Ca 0.15 -0.20 0.06 0.00 -1.23 0.00 0.00 61.79 60.57 2apl h SER 80 Cb -0.00 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 61.80 2apl h SER 80 CO -0.07 0.48 -0.08 0.58 -0.53 0.00 0.00 176.83 177.21 2apl h VAL 81 N 0.26 0.70 -0.84 2.23 2.07 -0.89 0.30 116.25 120.07 2apl h VAL 81 Ca 0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 2apl h VAL 81 Cb 0.23 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 2apl h VAL 81 CO -0.00 0.00 0.43 -0.07 0.02 0.00 0.00 177.57 177.95 2apl h LEU 82 N -0.02 1.08 -0.27 2.57 3.38 -0.85 0.02 115.31 121.21 2apl h LEU 82 Ca 0.13 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.79 2apl h LEU 82 Cb 0.23 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2apl h LEU 82 CO -0.29 0.89 -0.64 -0.33 0.09 0.00 0.00 178.44 178.15 2apl h GLU 83 N 1.19 0.80 0.07 1.13 5.08 -0.64 -2.22 114.58 120.00 2apl h GLU 83 Ca 0.29 -0.57 -0.26 0.00 -1.00 0.00 0.00 59.36 57.83 2apl h GLU 83 Cb 0.08 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2apl h GLU 83 CO -0.04 1.19 -1.26 0.00 -1.00 0.00 0.00 179.01 177.90 2apl h ARG 84 N 0.59 0.15 0.00 2.33 3.08 -0.27 -3.35 114.38 116.91 2apl h ARG 84 Ca -0.01 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 2apl h ARG 84 Cb 1.26 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.40 2apl h ARG 84 CO 0.14 1.06 -1.39 0.39 -1.07 0.00 0.00 179.97 179.10 2apl n GLU 85 N -3.41 0.31 -0.69 0.04 -0.58 -0.02 -4.67 120.64 111.61 2apl n GLU 85 Ca -0.08 -0.07 0.06 0.00 -0.42 0.00 0.00 57.16 56.64 2apl n GLU 85 Cb 1.00 -1.20 0.12 0.00 -0.57 0.00 0.00 31.44 30.79 2apl n GLU 85 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2apl n PHE 86 N -1.80 0.00 -0.33 -0.32 3.72 -0.84 -4.84 117.46 113.05 2apl n PHE 86 Ca -0.02 -0.94 -0.03 0.00 -0.05 0.00 0.00 57.45 56.41 2apl n PHE 86 Cb 0.23 -0.18 0.09 0.00 -0.94 0.00 0.00 39.48 38.68 2apl n PHE 86 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2apl h GLU 87 N 0.65 1.21 -0.50 -1.08 4.22 -1.68 0.42 114.58 117.82 2apl h GLU 87 Ca -0.06 -0.10 -0.08 0.00 0.08 0.00 0.00 59.36 59.20 2apl h GLU 87 Cb 1.28 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2apl h GLU 87 CO 0.02 0.84 0.00 1.96 -2.18 0.00 0.00 179.01 179.65 2apl h GLN 88 N 1.23 0.87 0.00 1.92 4.20 -1.91 -3.03 115.11 118.39 2apl h GLN 88 Ca 0.32 -0.28 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 2apl h GLN 88 Cb -0.07 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 2apl h GLN 88 CO -0.06 0.91 -1.11 0.93 -0.67 0.00 0.00 178.83 178.82 2apl h GLU 89 N 0.73 0.00 -1.78 1.46 3.07 -1.82 -3.41 114.58 112.84 2apl h GLU 89 Ca 0.14 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.49 2apl h GLU 89 Cb 0.51 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 28.06 2apl h GLU 89 CO 0.02 0.25 -1.06 1.28 -1.40 0.00 0.00 179.01 178.11 2apl n LEU 90 N -2.91 -0.04 -4.83 1.33 4.77 0.14 -5.13 117.00 110.33 2apl n LEU 90 Ca -0.05 -4.60 -0.31 0.00 -0.03 0.00 0.00 56.01 51.02 2apl n LEU 90 Cb 0.75 0.68 0.05 0.00 -2.33 0.00 0.00 43.42 42.56 2apl n LEU 90 CO 0.42 2.10 0.71 -2.16 -1.33 0.00 0.00 177.39 177.13 2apl s PRO 91 N -1.20 2.96 0.24 3.23 0.04 -1.15 -4.33 135.00 134.80 2apl s PRO 91 Ca 0.35 0.86 -0.29 0.00 0.04 0.00 0.00 61.00 61.96 2apl s PRO 91 Cb 0.21 -2.00 -0.15 0.00 0.04 0.00 0.00 34.50 32.60 2apl s PRO 91 CO -0.12 -1.06 0.84 0.45 0.04 0.00 0.00 177.00 177.15 2apl n SER 92 N -3.09 0.32 -0.51 6.66 2.88 -1.26 -1.79 113.62 116.83 2apl n SER 92 Ca 0.07 1.16 0.04 0.00 -1.33 0.00 0.00 58.87 58.81 2apl n SER 92 Cb 0.54 -1.15 0.11 0.00 -0.75 0.00 0.00 64.21 62.96 2apl n SER 92 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2apl n PRO 93 N 0.91 1.65 -0.30 -1.46 -0.05 -1.26 -4.99 135.00 129.49 2apl n PRO 93 Ca 0.13 -0.91 0.08 0.00 -0.05 0.00 0.00 63.50 62.75 2apl n PRO 93 Cb 0.28 -1.25 0.24 0.00 -0.05 0.00 0.00 33.50 32.73 2apl n PRO 93 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 175.50 175.38 2apl h LEU 94 N 1.44 0.54 -0.44 1.53 3.38 -1.62 -2.68 115.31 117.47 2apl h LEU 94 Ca 0.00 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.15 2apl h LEU 94 Cb 0.40 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 2apl h LEU 94 CO 0.02 0.21 0.02 -0.65 0.09 0.00 0.00 178.44 178.13 2apl h PRO 95 N 0.62 0.13 -0.20 1.13 0.11 -1.78 0.12 132.00 132.13 2apl h PRO 95 Ca 0.48 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.53 2apl h PRO 95 Cb 0.71 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 2apl h PRO 95 CO -0.38 0.08 -0.11 0.93 -0.21 0.00 0.00 178.00 178.32 2apl h GLU 96 N 0.13 0.32 0.12 1.05 5.08 -1.85 -1.48 114.58 117.95 2apl h GLU 96 Ca 0.22 -0.08 -0.28 0.00 -1.00 0.00 0.00 59.36 58.23 2apl h GLU 96 Cb 0.31 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2apl h GLU 96 CO -0.35 0.44 -1.27 0.00 -1.00 0.00 0.00 179.01 176.84 2apl h ARG 97 N 0.31 0.26 0.01 2.33 3.08 -1.14 -3.37 114.38 115.85 2apl h ARG 97 Ca 0.06 -0.44 -0.24 0.00 0.07 0.00 0.00 59.98 59.44 2apl h ARG 97 Cb 0.39 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 2apl h ARG 97 CO 0.02 1.20 -1.20 -0.07 -1.07 0.00 0.00 179.97 178.85 2apl h LEU 98 N 0.07 0.04 -0.45 3.04 3.38 -0.73 -3.39 115.31 117.27 2apl h LEU 98 Ca -0.14 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.85 2apl h LEU 98 Cb 1.97 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.65 2apl h LEU 98 CO 0.20 1.04 0.13 0.00 0.09 0.00 0.00 178.44 179.90 2apl h ALA 99 N 0.96 0.52 -0.27 1.53 0.00 -1.43 -0.01 119.26 120.56 2apl h ALA 99 Ca -0.09 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2apl h ALA 99 Cb 1.85 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 2apl h ALA 99 CO 0.12 -0.26 0.15 -1.35 0.00 0.00 0.00 179.25 177.91 2apl h PRO 100 N 0.29 0.36 -0.03 0.00 0.11 -1.78 -0.05 132.00 130.89 2apl h PRO 100 Ca 0.21 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.15 2apl h PRO 100 Cb 0.24 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.28 2apl h PRO 100 CO -0.24 0.26 -0.56 0.82 -0.21 0.00 0.00 178.00 178.07 2apl h ILE 101 N 0.37 1.41 -0.81 4.15 5.03 -1.55 -3.12 117.51 122.99 2apl h ILE 101 Ca 0.10 -1.99 0.04 0.00 -0.12 0.00 0.00 64.86 62.89 2apl h ILE 101 Cb -0.00 2.46 -0.05 0.00 -3.03 0.00 0.00 36.82 36.21 2apl h ILE 101 CO -0.02 0.58 0.53 -0.07 -0.68 0.00 0.00 178.15 178.50 2apl h LEU 102 N -0.04 0.84 -2.28 1.44 3.38 -0.84 -1.67 115.31 116.15 2apl h LEU 102 Ca -0.06 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.94 2apl h LEU 102 Cb 1.25 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2apl h LEU 102 CO 0.11 0.57 0.14 0.25 0.09 0.00 0.00 178.44 179.60 2apl h LEU 103 N 0.97 0.00 -1.38 1.67 5.85 -0.94 0.00 115.31 121.48 2apl h LEU 103 Ca 0.33 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.05 2apl h LEU 103 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2apl h LEU 103 CO -0.10 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 178.29 2apl n LYS 104 N -3.87 1.95 -2.86 1.25 5.02 -0.64 -4.63 118.16 114.37 2apl n LYS 104 Ca 0.00 -1.38 -0.41 0.00 -2.02 0.00 0.00 58.31 54.50 2apl n LYS 104 Cb 0.25 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.75 2apl n LYS 104 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2apl s ASN 105 N -1.93 7.27 0.23 4.39 3.84 -0.01 -4.95 114.94 123.78 2apl s ASN 105 Ca 0.34 1.53 -0.07 0.00 0.21 0.00 0.00 52.86 54.88 2apl s ASN 105 Cb 0.20 -2.51 0.22 0.00 -0.55 0.00 0.00 41.25 38.61 2apl s ASN 105 CO 0.32 -0.12 1.86 0.11 -2.79 0.00 0.00 177.10 176.48 2apl h LYS 106 N 6.23 1.26 -0.25 0.43 1.79 -1.92 0.73 116.57 124.86 2apl h LYS 106 Ca -0.42 -0.15 0.03 0.00 -2.18 0.00 0.00 60.65 57.94 2apl h LYS 106 Cb 1.21 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 31.58 2apl h LYS 106 CO 0.73 0.92 0.05 0.00 -1.08 0.00 0.00 179.45 180.07 2apl h ALA 107 N 1.28 0.25 0.01 3.86 0.00 -1.94 -1.52 119.26 121.21 2apl h ALA 107 Ca 0.32 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 2apl h ALA 107 Cb 0.02 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2apl h ALA 107 CO -0.05 -0.37 -0.00 0.82 0.00 0.00 0.00 179.25 179.64 2apl h ILE 108 N 0.14 1.19 -0.71 0.00 1.08 -1.72 -2.92 117.51 114.56 2apl h ILE 108 Ca 0.11 -0.58 0.13 0.00 -0.39 0.00 0.00 64.86 64.14 2apl h ILE 108 Cb 0.12 1.58 -0.09 0.00 -3.07 0.00 0.00 36.82 35.35 2apl h ILE 108 CO -0.15 0.15 0.25 1.56 -0.69 0.00 0.00 178.15 179.27 2apl h GLN 109 N -0.25 0.38 0.00 2.37 4.20 -0.82 -1.75 115.11 119.24 2apl h GLN 109 Ca -0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2apl h GLN 109 Cb 0.25 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 2apl h GLN 109 CO 0.00 0.25 -0.10 0.66 -0.67 0.00 0.00 178.83 178.97 2apl h SER 110 N 0.39 0.00 0.25 1.46 4.64 -1.20 -0.04 113.55 119.05 2apl h SER 110 Ca 0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.70 2apl h SER 110 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2apl h SER 110 CO -0.40 0.10 -0.12 0.58 -0.87 0.00 0.00 176.83 176.12 2apl h VAL 111 N 0.00 0.66 -0.62 0.95 2.07 -1.15 -3.32 116.25 114.85 2apl h VAL 111 Ca -0.00 -0.90 0.09 0.00 0.82 0.00 0.00 66.70 66.72 2apl h VAL 111 Cb 0.19 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2apl h VAL 111 CO 0.01 0.16 0.42 -0.26 0.02 0.00 0.00 177.57 177.91 2apl h PHE 112 N -0.88 0.50 0.00 1.57 0.04 -0.89 -2.63 116.94 114.64 2apl h PHE 112 Ca -0.03 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2apl h PHE 112 Cb 0.51 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.50 2apl h PHE 112 CO 0.05 0.24 0.00 0.00 -0.60 0.00 0.00 178.31 178.00 2apl h ALA 113 N 1.68 1.00 0.00 2.45 0.00 -1.11 -1.76 119.26 121.53 2apl h ALA 113 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2apl h ALA 113 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2apl h ALA 113 CO -0.08 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.80 2apl n LYS 114 N -2.88 0.20 -4.18 0.00 5.02 -0.99 -4.85 118.16 110.48 2apl n LYS 114 Ca -0.00 0.26 -0.29 0.00 -2.02 0.00 0.00 58.31 56.26 2apl n LYS 114 Cb 0.20 -1.78 -0.08 0.00 -0.02 0.00 0.00 35.03 33.34 2apl n LYS 114 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2apl s TYR 115 N -3.15 2.87 -0.75 2.13 2.02 -0.66 -5.07 117.35 114.73 2apl s TYR 115 Ca 0.09 -0.10 -0.19 0.00 -0.37 0.00 0.00 57.07 56.50 2apl s TYR 115 Cb 0.12 -1.46 0.12 0.00 -0.40 0.00 0.00 41.96 40.35 2apl s TYR 115 CO 0.51 0.47 0.90 0.34 -1.57 0.00 0.00 175.55 176.21 2apl s ASP 116 N -2.47 6.41 -1.58 2.29 2.15 -1.26 -4.97 116.67 117.24 2apl s ASP 116 Ca 0.25 -1.74 -0.10 0.00 0.43 0.00 0.00 52.55 51.39 2apl s ASP 116 Cb -0.11 -2.34 -0.05 0.00 -0.30 0.00 0.00 42.92 40.12 2apl s ASP 116 CO 0.17 -1.08 2.79 0.18 -0.17 0.00 0.00 175.17 177.06 2apl n LEU 117 N 6.33 8.39 -4.68 -1.34 4.77 -1.26 -4.84 117.00 124.36 2apl n LEU 117 Ca 0.06 -4.37 -0.29 0.00 -0.03 0.00 0.00 56.01 51.38 2apl n LEU 117 Cb 0.46 -1.56 0.17 0.00 -2.33 0.00 0.00 43.42 40.16 2apl n LEU 117 CO 0.53 1.91 0.65 0.42 -1.33 0.00 0.00 177.39 179.57 2apl s THR 118 N 2.10 2.05 0.44 -5.08 -4.23 -1.26 -4.74 115.64 104.93 2apl s THR 118 Ca 0.65 0.02 0.16 0.00 -1.18 0.00 0.00 61.69 61.34 2apl s THR 118 Cb 0.17 -2.53 0.35 0.00 1.34 0.00 0.00 72.50 71.83 2apl s THR 118 CO -0.07 -0.02 1.95 0.44 -0.54 0.00 0.00 174.62 176.38 2apl h ASP 119 N -1.87 0.34 -0.56 3.99 3.32 -1.92 -1.28 116.42 118.43 2apl h ASP 119 Ca -0.54 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.52 2apl h ASP 119 Cb 1.33 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2apl h ASP 119 CO 0.58 0.19 0.00 -0.90 -1.72 0.00 0.00 179.24 177.39 2apl n ASP 120 N -4.46 3.41 -0.26 6.45 5.68 -1.26 -4.51 116.55 121.59 2apl n ASP 120 Ca 0.12 -2.14 -0.03 0.00 -0.50 0.00 0.00 54.79 52.24 2apl n ASP 120 Cb 0.48 -0.44 0.08 0.00 -1.14 0.00 0.00 41.12 40.10 2apl n ASP 120 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2apl h PHE 121 N 3.33 0.89 -0.19 2.11 3.57 -1.55 -2.74 116.94 122.36 2apl h PHE 121 Ca 0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2apl h PHE 121 Cb 0.95 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2apl h PHE 121 CO 0.48 0.52 -0.05 1.49 -2.23 0.00 0.00 178.31 178.52 2apl h GLU 122 N 0.93 0.28 0.00 1.11 4.81 -1.81 0.93 114.58 120.83 2apl h GLU 122 Ca 0.29 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.42 2apl h GLU 122 Cb -0.02 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2apl h GLU 122 CO -0.10 0.35 -0.23 0.00 -0.73 0.00 0.00 179.01 178.31 2apl h ALA 123 N 1.68 1.08 -1.74 2.92 0.00 -1.85 -3.44 119.26 117.91 2apl h ALA 123 Ca 0.06 -0.21 -0.62 0.00 0.00 0.00 0.00 54.91 54.14 2apl h ALA 123 Cb 0.27 -0.04 0.13 0.00 0.00 0.00 0.00 17.79 18.15 2apl h ALA 123 CO 0.01 0.29 -0.30 0.45 0.00 0.00 0.00 179.25 179.70 2apl n SER 124 N -3.49 -0.41 -0.28 0.00 2.88 0.32 -4.91 113.62 107.74 2apl n SER 124 Ca -0.00 1.04 0.18 0.00 -1.33 0.00 0.00 58.87 58.76 2apl n SER 124 Cb 0.40 -1.11 0.48 0.00 -0.75 0.00 0.00 64.21 63.22 2apl n SER 124 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2apl h PRO 125 N 1.18 0.46 0.00 -1.46 0.11 -1.91 -2.75 132.00 127.63 2apl h PRO 125 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2apl h PRO 125 Cb 1.39 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2apl h PRO 125 CO 0.55 0.30 0.00 -0.85 -0.21 0.00 0.00 178.00 177.80 2apl n GLU 126 N -4.57 0.15 -0.17 1.05 0.00 -1.26 -2.98 120.64 112.87 2apl n GLU 126 Ca 0.21 0.30 -0.02 0.00 0.00 0.00 0.00 57.16 57.66 2apl n GLU 126 Cb 0.70 -1.75 0.07 0.00 0.00 0.00 0.00 31.44 30.47 2apl n GLU 126 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 2apl h TYR 127 N 0.00 0.09 -0.57 -1.84 3.20 -1.64 -1.61 116.97 114.60 2apl h TYR 127 Ca 0.00 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 2apl h TYR 127 Cb 0.43 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 2apl h TYR 127 CO 0.00 -0.06 0.20 0.93 -1.64 0.00 0.00 178.16 177.59 2apl h GLU 128 N 0.19 0.84 0.07 1.82 4.39 -1.75 -0.55 114.58 119.59 2apl h GLU 128 Ca 0.26 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2apl h GLU 128 Cb 0.38 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2apl h GLU 128 CO -0.38 0.71 -0.03 0.45 -1.16 0.00 0.00 179.01 178.60 2apl h HIS 129 N 0.82 -0.09 -0.10 4.33 3.86 -1.58 -1.42 115.15 120.98 2apl h HIS 129 Ca 0.19 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.44 2apl h HIS 129 Cb 0.21 0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.65 2apl h HIS 129 CO 0.01 -0.05 -0.28 1.25 0.86 0.00 0.00 177.93 179.73 2apl h LEU 130 N -0.10 -0.85 -0.66 2.43 5.85 -0.82 -0.44 115.31 120.72 2apl h LEU 130 Ca -0.01 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.88 2apl h LEU 130 Cb 0.08 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 2apl h LEU 130 CO 0.02 -0.33 0.39 0.22 -0.34 0.00 0.00 178.44 178.39 2apl h TYR 131 N -0.37 0.72 -0.56 1.25 3.20 -0.94 0.16 116.97 120.42 2apl h TYR 131 Ca 0.09 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 2apl h TYR 131 Cb 0.50 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2apl h TYR 131 CO -0.35 0.37 -0.05 1.15 -1.64 0.00 0.00 178.16 177.64 2apl h THR 132 N 0.73 1.26 -0.31 1.81 2.02 -1.21 -1.52 112.91 115.70 2apl h THR 132 Ca 0.28 -1.19 -0.11 0.00 0.77 0.00 0.00 66.41 66.17 2apl h THR 132 Cb 0.11 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2apl h THR 132 CO -0.15 0.42 -0.23 -0.08 0.37 0.00 0.00 175.52 175.86 2apl h GLU 133 N 0.91 0.70 -0.74 6.66 4.81 0.23 -1.41 114.58 125.74 2apl h GLU 133 Ca 0.15 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 2apl h GLU 133 Cb 0.60 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 2apl h GLU 133 CO 0.04 0.95 0.49 -0.07 -0.73 0.00 0.00 179.01 179.69 2apl h LEU 134 N 0.45 0.85 -0.22 1.64 3.38 -0.69 -1.44 115.31 119.28 2apl h LEU 134 Ca 0.06 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2apl h LEU 134 Cb 0.79 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2apl h LEU 134 CO 0.06 0.61 0.02 0.74 0.09 0.00 0.00 178.44 179.96 2apl h THR 135 N 1.00 0.87 -1.01 0.22 2.02 -1.06 -1.32 112.91 113.64 2apl h THR 135 Ca 0.27 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.43 2apl h THR 135 Cb -0.10 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 2apl h THR 135 CO -0.06 0.02 0.67 1.23 0.37 0.00 0.00 175.52 177.74 2apl h GLY 136 N 0.10 1.42 0.91 2.16 0.00 -1.03 -0.36 103.07 106.26 2apl h GLY 136 Ca 0.10 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 2apl h GLY 136 CO -0.15 0.52 0.05 -0.84 0.00 0.00 0.00 176.54 176.11 2apl h THR 137 N 1.36 1.10 -0.74 4.70 2.02 -1.02 -1.72 112.91 118.63 2apl h THR 137 Ca 0.37 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 2apl h THR 137 Cb -0.16 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 2apl h THR 137 CO -0.08 0.09 0.40 0.40 0.37 0.00 0.00 175.52 176.70 2apl h ILE 138 N 0.04 1.23 -0.83 3.11 2.04 -0.91 1.00 117.51 123.19 2apl h ILE 138 Ca 0.03 -0.57 0.14 0.00 1.00 0.00 0.00 64.86 65.47 2apl h ILE 138 Cb 0.10 0.25 -0.09 0.00 -0.74 0.00 0.00 36.82 36.34 2apl h ILE 138 CO -0.00 0.25 0.41 0.58 0.00 0.00 0.00 178.15 179.38 2apl h VAL 139 N 1.02 0.71 -0.29 1.67 2.07 -0.99 -0.29 116.25 120.16 2apl h VAL 139 Ca 0.26 -0.20 -0.16 0.00 0.82 0.00 0.00 66.70 67.42 2apl h VAL 139 Cb 0.04 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 2apl h VAL 139 CO -0.04 0.11 -0.45 -0.07 0.02 0.00 0.00 177.57 177.14 2apl h LEU 140 N 0.58 0.90 -0.42 2.57 3.38 -0.32 -0.35 115.31 121.64 2apl h LEU 140 Ca 0.45 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2apl h LEU 140 Cb 0.65 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2apl h LEU 140 CO -0.37 1.24 0.21 -0.07 0.09 0.00 0.00 178.44 179.53 2apl h LEU 141 N 0.58 0.30 -0.05 1.67 3.38 -0.25 0.20 115.31 121.13 2apl h LEU 141 Ca 0.03 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2apl h LEU 141 Cb 1.05 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 2apl h LEU 141 CO 0.10 0.21 0.02 0.40 0.09 0.00 0.00 178.44 179.27 2apl h ILE 142 N 0.42 1.16 -0.22 1.22 2.04 -0.94 0.41 117.51 121.58 2apl h ILE 142 Ca 0.18 -0.46 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 2apl h ILE 142 Cb 0.09 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2apl h ILE 142 CO -0.13 0.13 -0.09 -0.33 0.00 0.00 0.00 178.15 177.73 2apl h GLU 143 N -0.10 0.36 -0.06 2.37 5.08 -0.87 -2.11 114.58 119.24 2apl h GLU 143 Ca 0.02 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2apl h GLU 143 Cb 0.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2apl h GLU 143 CO -0.00 0.46 0.00 -1.13 -1.00 0.00 0.00 179.01 177.34 2apl n SER 144 N -4.26 1.10 -3.77 1.42 3.41 0.04 -4.92 113.62 106.63 2apl n SER 144 Ca 0.00 -1.48 -0.27 0.00 -0.26 0.00 0.00 58.87 56.87 2apl n SER 144 Cb 0.27 -0.03 0.05 0.00 -0.26 0.00 0.00 64.21 64.23 2apl n SER 144 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2apl n ASN 145 N -0.10 -4.69 -0.05 4.04 5.15 -0.80 -4.91 115.26 113.90 2apl n ASN 145 Ca 0.18 -0.71 0.06 0.00 -0.60 0.00 0.00 54.58 53.52 2apl n ASN 145 Cb 0.27 -4.31 0.08 0.00 -0.53 0.00 0.00 39.78 35.29 2apl n ASN 145 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2apl n HIS 146 N -4.71 0.00 -2.14 1.20 8.25 0.11 -5.02 115.22 112.91 2apl n HIS 146 Ca -0.03 -0.79 -0.42 0.00 -0.26 0.00 0.00 57.72 56.23 2apl n HIS 146 Cb 0.56 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.53 2apl n HIS 146 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2apl s LEU 147 N -2.09 4.37 0.62 2.41 2.96 -1.10 -4.93 118.68 120.91 2apl s LEU 147 Ca 0.19 2.35 -0.19 0.00 -0.22 0.00 0.00 54.13 56.26 2apl s LEU 147 Cb 0.17 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.25 2apl s LEU 147 CO 0.02 -0.68 1.28 -2.84 -1.32 0.00 0.00 176.35 172.81 2apl s PRO 148 N 1.19 2.72 0.32 0.98 0.02 -1.26 -5.01 135.00 133.97 2apl s PRO 148 Ca 0.65 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.70 2apl s PRO 148 Cb -0.37 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.25 2apl s PRO 148 CO 0.30 -1.46 0.04 0.25 -0.33 0.00 0.00 177.00 175.80 2apl n THR 149 N -1.74 0.00 -0.55 0.99 -2.24 -1.26 -5.05 114.28 104.43 2apl n THR 149 Ca 0.15 -1.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.44 2apl n THR 149 Cb 0.48 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 2apl n THR 149 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12