#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cly s LYS 4 N 0.00 4.29 -0.44 5.56 1.02 -1.26 -4.96 119.74 123.95 2cly s LYS 4 Ca 0.00 2.13 -0.28 0.00 0.02 0.00 0.00 55.97 57.84 2cly s LYS 4 Cb 0.00 -3.29 -0.00 0.00 -0.52 0.00 0.00 37.83 34.01 2cly s LYS 4 CO 0.00 -0.50 1.61 -1.17 -0.92 0.00 0.00 175.35 174.37 2cly s LEU 5 N 1.37 3.48 0.27 3.17 0.20 -1.26 -5.01 118.68 120.90 2cly s LEU 5 Ca 0.66 0.83 0.08 0.00 0.69 0.00 0.00 54.13 56.38 2cly s LEU 5 Cb -0.38 -3.30 -0.04 0.00 -0.43 0.00 0.00 46.19 42.04 2cly s LEU 5 CO 0.30 -1.71 0.16 0.00 -0.29 0.00 0.00 176.35 174.81 2cly s ALA 6 N 6.56 3.52 0.00 5.97 0.00 -1.26 -5.14 121.76 131.42 2cly s ALA 6 Ca 0.67 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2cly s ALA 6 Cb -0.16 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.80 2cly s ALA 6 CO 0.30 0.22 0.00 1.28 0.00 0.00 0.00 175.76 177.56 2cly n LEU 7 N -1.14 0.00 -3.70 0.00 4.77 -1.26 -5.16 117.00 110.50 2cly n LEU 7 Ca -0.07 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.78 2cly n LEU 7 Cb 0.58 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.54 2cly n LEU 7 CO 0.42 0.00 -0.13 -0.54 -1.33 0.00 0.00 177.39 175.81 2cly s LYS 8 N 1.61 0.17 0.58 3.23 1.02 -1.26 -5.15 119.74 119.94 2cly s LYS 8 Ca 0.00 0.61 -0.20 0.00 0.02 0.00 0.00 55.97 56.40 2cly s LYS 8 Cb 0.00 -0.10 -0.04 0.00 -0.52 0.00 0.00 37.83 37.17 2cly s LYS 8 CO 0.00 -0.22 1.26 0.99 -0.92 0.00 0.00 175.35 176.46 2cly s THR 9 N 1.75 2.42 -0.20 2.17 2.01 -1.26 -5.02 115.64 117.51 2cly s THR 9 Ca -0.05 0.28 -0.01 0.00 0.31 0.00 0.00 61.69 62.22 2cly s THR 9 Cb -0.11 -3.12 0.05 0.00 0.01 0.00 0.00 72.50 69.33 2cly s THR 9 CO -0.08 -0.04 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.16 2cly s ILE 10 N -1.47 1.01 -0.60 1.82 1.01 -1.26 -5.06 121.20 116.65 2cly s ILE 10 Ca 0.76 -0.78 -0.26 0.00 0.00 0.00 0.00 60.65 60.37 2cly s ILE 10 Cb -0.34 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 2cly s ILE 10 CO 0.38 -0.07 2.06 -1.81 0.00 0.00 0.00 174.94 175.51 2cly s ASP 11 N 1.65 4.94 0.21 3.58 1.11 -1.26 -4.80 116.67 122.09 2cly s ASP 11 Ca -0.02 0.50 0.03 0.00 0.18 0.00 0.00 52.55 53.24 2cly s ASP 11 Cb -0.17 -2.52 0.15 0.00 1.07 0.00 0.00 42.92 41.44 2cly s ASP 11 CO -0.07 -2.62 1.49 -0.50 1.18 0.00 0.00 175.17 174.65 2cly h TRP 12 N 16.18 0.34 -1.01 4.23 4.06 -1.98 0.18 115.95 137.95 2cly h TRP 12 Ca -0.22 -0.15 0.03 0.00 2.06 0.00 0.00 58.89 60.61 2cly h TRP 12 Cb 1.18 -0.05 -0.06 0.00 -1.00 0.00 0.00 29.16 29.23 2cly h TRP 12 CO 1.03 0.87 0.66 0.28 -3.56 0.00 0.00 178.44 177.72 2cly h VAL 13 N 0.17 1.21 -0.40 1.49 2.07 -2.00 -0.68 116.25 118.11 2cly h VAL 13 Ca -0.02 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 2cly h VAL 13 Cb 1.25 -0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2cly h VAL 13 CO 0.11 0.24 0.13 0.00 0.02 0.00 0.00 177.57 178.07 2cly h ALA 14 N 1.40 0.53 0.01 1.67 0.00 -1.63 -2.89 119.26 118.34 2cly h ALA 14 Ca 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2cly h ALA 14 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2cly h ALA 14 CO -0.11 0.16 -0.07 0.35 0.00 0.00 0.00 179.25 179.58 2cly h PHE 15 N 0.51 -0.21 -0.53 0.00 3.57 -0.04 -3.00 116.94 117.24 2cly h PHE 15 Ca 0.13 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.79 2cly h PHE 15 Cb 0.24 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2cly h PHE 15 CO 0.01 -0.08 0.41 0.78 -2.23 0.00 0.00 178.31 177.20 2cly h GLY 16 N -0.09 0.00 1.65 2.40 0.00 -1.21 -2.51 103.07 103.31 2cly h GLY 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2cly h GLY 16 CO -0.04 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.29 2cly n GLU 17 N -4.22 0.25 -0.02 4.80 2.13 -1.09 -3.84 120.64 118.65 2cly n GLU 17 Ca 0.10 0.09 0.00 0.00 0.66 0.00 0.00 57.16 58.01 2cly n GLU 17 Cb 0.64 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.85 2cly n GLU 17 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2cly n ILE 18 N -1.32 0.13 -3.04 6.31 -5.35 -0.94 -5.00 119.36 110.15 2cly n ILE 18 Ca 0.09 -0.13 -0.40 0.00 -0.27 0.00 0.00 62.75 62.04 2cly n ILE 18 Cb 0.19 0.92 -0.05 0.00 -1.74 0.00 0.00 39.64 38.96 2cly n ILE 18 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 2cly s ILE 19 N -0.14 5.04 0.54 7.28 -4.36 -1.25 -5.07 121.20 123.25 2cly s ILE 19 Ca 0.00 1.46 -0.21 0.00 -0.26 0.00 0.00 60.65 61.64 2cly s ILE 19 Cb 0.00 -4.05 -0.06 0.00 1.25 0.00 0.00 42.46 39.61 2cly s ILE 19 CO 0.00 0.25 1.23 -2.65 0.24 0.00 0.00 174.94 174.01 2cly n PRO 20 N 3.77 1.47 -0.35 0.37 -0.02 -1.26 -4.82 135.00 134.16 2cly n PRO 20 Ca -0.01 0.54 0.13 0.00 -2.02 0.00 0.00 63.50 62.14 2cly n PRO 20 Cb 0.51 -2.42 0.32 0.00 -0.02 0.00 0.00 33.50 31.90 2cly n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cly h ARG 21 N 1.23 0.73 0.00 -0.52 3.08 -2.00 0.11 114.38 117.01 2cly h ARG 21 Ca -0.49 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.51 2cly h ARG 21 Cb 1.32 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2cly h ARG 21 CO 0.56 0.48 0.00 0.09 -1.07 0.00 0.00 179.97 180.03 2cly n ASN 22 N -4.78 0.00 0.00 7.04 3.02 -1.26 -2.36 115.26 116.93 2cly n ASN 22 Ca 0.23 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 2cly n ASN 22 Cb 0.58 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 2cly n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cly n GLN 23 N -0.92 2.34 -0.28 3.52 1.13 0.29 -4.81 117.38 118.65 2cly n GLN 23 Ca 0.15 -0.12 0.09 0.00 -1.94 0.00 0.00 57.00 55.18 2cly n GLN 23 Cb 0.07 -0.51 0.22 0.00 0.11 0.00 0.00 30.24 30.13 2cly n GLN 23 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 2cly h LYS 24 N 0.00 0.15 -0.08 -1.09 3.64 -0.95 -0.64 116.57 117.60 2cly h LYS 24 Ca 0.00 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2cly h LYS 24 Cb 0.08 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 2cly h LYS 24 CO 0.00 0.10 -0.42 0.00 -2.27 0.00 0.00 179.45 176.86 2cly h ALA 25 N 1.75 -0.80 -0.61 5.00 0.00 -1.87 0.58 119.26 123.30 2cly h ALA 25 Ca 0.48 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.46 2cly h ALA 25 Cb 0.91 0.90 -0.12 0.00 0.00 0.00 0.00 17.79 19.48 2cly h ALA 25 CO -0.67 -0.95 -0.20 0.28 0.00 0.00 0.00 179.25 177.71 2cly h VAL 26 N -0.46 0.32 0.03 0.00 2.07 -1.49 0.13 116.25 116.85 2cly h VAL 26 Ca 0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.56 2cly h VAL 26 Cb 0.53 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2cly h VAL 26 CO -0.32 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.14 2cly h ALA 27 N 1.47 -0.18 -0.54 1.67 0.00 -0.86 0.11 119.26 120.94 2cly h ALA 27 Ca 0.29 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.29 2cly h ALA 27 Cb 0.49 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 2cly h ALA 27 CO -0.65 -0.63 -0.31 -0.91 0.00 0.00 0.00 179.25 176.75 2cly h ASN 28 N -0.24 -1.06 -0.77 0.00 2.35 0.94 0.34 115.58 117.15 2cly h ASN 28 Ca 0.04 0.21 0.06 0.00 -0.55 0.00 0.00 56.30 56.06 2cly h ASN 28 Cb 0.28 0.53 -0.05 0.00 0.05 0.00 0.00 38.32 39.13 2cly h ASN 28 CO -0.11 -0.30 0.50 -1.28 -1.65 0.00 0.00 177.43 174.60 2cly h SER 29 N -0.17 0.74 -0.11 5.81 0.87 0.03 -1.26 113.55 119.47 2cly h SER 29 Ca 0.22 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2cly h SER 29 Cb 0.54 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2cly h SER 29 CO -0.63 0.48 -0.01 0.25 -0.53 0.00 0.00 176.83 176.39 2cly h LEU 30 N 0.84 0.19 -0.32 2.23 5.85 0.14 -2.63 115.31 121.62 2cly h LEU 30 Ca 0.33 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2cly h LEU 30 Cb 0.21 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 2cly h LEU 30 CO -0.11 0.49 -0.55 0.11 -0.34 0.00 0.00 178.44 178.04 2cly h LYS 31 N -0.10 -0.43 -0.08 1.25 1.79 0.75 -2.36 116.57 117.38 2cly h LYS 31 Ca 0.03 0.03 -0.16 0.00 -2.18 0.00 0.00 60.65 58.37 2cly h LYS 31 Cb 0.39 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 2cly h LYS 31 CO 0.01 -0.29 -0.64 0.66 -1.08 0.00 0.00 179.45 178.11 2cly h SER 32 N -0.45 0.35 -0.21 0.86 4.64 -1.51 -1.58 113.55 115.64 2cly h SER 32 Ca 0.06 -0.21 0.06 0.00 -0.47 0.00 0.00 61.79 61.23 2cly h SER 32 Cb 0.61 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 62.53 2cly h SER 32 CO -0.54 0.89 -0.27 -0.25 -0.87 0.00 0.00 176.83 175.79 2cly h TRP 33 N 0.22 -0.72 -0.25 4.77 -0.00 -1.27 1.85 115.95 120.55 2cly h TRP 33 Ca -0.01 0.04 0.06 0.00 -0.00 0.00 0.00 58.89 58.98 2cly h TRP 33 Cb 1.16 0.35 -0.07 0.00 -0.00 0.00 0.00 29.16 30.60 2cly h TRP 33 CO 0.03 -0.34 -0.23 -0.97 -0.00 0.00 0.00 178.44 176.93 2cly h ASN 34 N -0.29 -0.74 0.38 2.65 -0.73 -1.10 1.15 115.58 116.90 2cly h ASN 34 Ca 0.12 0.14 -0.00 0.00 1.87 0.00 0.00 56.30 58.43 2cly h ASN 34 Cb 0.49 0.35 -0.03 0.00 0.27 0.00 0.00 38.32 39.40 2cly h ASN 34 CO -0.38 -0.27 -0.43 -0.33 -0.37 0.00 0.00 177.43 175.66 2cly h GLU 35 N -0.23 -0.81 -0.52 6.67 5.08 -0.00 2.13 114.58 126.90 2cly h GLU 35 Ca 0.14 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 2cly h GLU 35 Cb 0.44 0.18 -0.08 0.00 0.50 0.00 0.00 28.75 29.80 2cly h GLU 35 CO -0.38 -0.54 -0.50 1.15 -1.00 0.00 0.00 179.01 177.74 2cly h THR 36 N -0.84 0.00 -0.75 1.13 2.02 0.32 0.21 112.91 115.00 2cly h THR 36 Ca -0.03 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.31 2cly h THR 36 Cb 0.76 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.06 2cly h THR 36 CO -0.09 0.00 0.21 -0.07 0.37 0.00 0.00 175.52 175.94 2cly h LEU 37 N -0.23 0.08 0.56 2.58 3.38 0.20 0.25 115.31 122.14 2cly h LEU 37 Ca 0.09 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2cly h LEU 37 Cb 0.47 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2cly h LEU 37 CO -0.62 -0.01 -0.43 0.74 0.09 0.00 0.00 178.44 178.21 2cly h THR 38 N 0.31 0.00 -0.87 0.22 2.02 0.54 -1.59 112.91 113.54 2cly h THR 38 Ca 0.42 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.73 2cly h THR 38 Cb 0.71 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.06 2cly h THR 38 CO -0.49 0.00 0.56 0.77 0.37 0.00 0.00 175.52 176.73 2cly h SER 39 N -0.96 0.68 0.01 4.18 4.64 -0.21 -1.92 113.55 119.98 2cly h SER 39 Ca -0.07 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2cly h SER 39 Cb 0.79 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2cly h SER 39 CO 0.02 0.37 -0.01 -0.09 -0.87 0.00 0.00 176.83 176.25 2cly h ARG 40 N 0.74 -0.02 -0.47 4.77 9.65 -0.21 -2.36 114.38 126.47 2cly h ARG 40 Ca 0.42 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.27 2cly h ARG 40 Cb 0.60 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.16 2cly h ARG 40 CO -0.19 0.02 0.14 1.25 2.80 0.00 0.00 179.97 184.00 2cly h LEU 41 N -0.05 0.64 -1.09 3.80 5.85 -0.56 -1.02 115.31 122.87 2cly h LEU 41 Ca -0.00 -0.09 0.13 0.00 0.84 0.00 0.00 57.88 58.76 2cly h LEU 41 Cb 0.05 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 40.83 2cly h LEU 41 CO 0.00 0.62 0.61 0.00 -0.34 0.00 0.00 178.44 179.34 2cly h ALA 42 N 1.47 1.62 0.01 1.25 0.00 -0.94 -3.26 119.26 119.41 2cly h ALA 42 Ca 0.16 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2cly h ALA 42 Cb 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2cly h ALA 42 CO -0.01 0.13 -0.00 1.15 0.00 0.00 0.00 179.25 180.52 2cly h THR 43 N 0.90 0.00 -2.08 0.00 2.02 -0.72 -3.45 112.91 109.59 2cly h THR 43 Ca 0.49 -0.02 -0.54 0.00 0.77 0.00 0.00 66.41 67.10 2cly h THR 43 Cb 0.57 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2cly h THR 43 CO -0.25 0.00 1.45 -0.76 0.37 0.00 0.00 175.52 176.33 2cly s LEU 44 N -4.17 3.42 0.38 2.58 1.43 -0.77 -4.95 118.68 116.59 2cly s LEU 44 Ca -0.00 1.27 -0.25 0.00 -1.03 0.00 0.00 54.13 54.11 2cly s LEU 44 Cb 0.00 -3.09 -0.12 0.00 0.03 0.00 0.00 46.19 43.01 2cly s LEU 44 CO 0.01 -2.21 1.00 -0.81 0.23 0.00 0.00 176.35 174.57 2cly n PRO 45 N 8.81 1.36 -0.10 1.29 -0.04 -1.26 -4.88 135.00 140.17 2cly n PRO 45 Ca 0.28 0.49 -0.03 0.00 -0.04 0.00 0.00 63.50 64.20 2cly n PRO 45 Cb 0.49 -1.98 -0.02 0.00 -0.04 0.00 0.00 33.50 31.95 2cly n PRO 45 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2cly n GLU 46 N 0.37 -0.11 -4.09 0.54 -0.58 -1.26 -4.64 120.64 110.87 2cly n GLU 46 Ca 0.09 0.86 -0.25 0.00 -0.42 0.00 0.00 57.16 57.43 2cly n GLU 46 Cb 0.37 -1.27 -0.06 0.00 -0.57 0.00 0.00 31.44 29.91 2cly n GLU 46 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2cly s LYS 47 N -3.79 2.25 0.73 3.49 1.02 -1.26 -5.15 119.74 117.04 2cly s LYS 47 Ca -0.03 -1.89 -0.04 0.00 0.02 0.00 0.00 55.97 54.03 2cly s LYS 47 Cb 0.03 -2.00 0.11 0.00 -0.52 0.00 0.00 37.83 35.45 2cly s LYS 47 CO 0.15 -0.22 1.02 -1.25 -0.92 0.00 0.00 175.35 174.14 2cly s PRO 48 N -3.98 1.75 0.84 -1.68 0.04 -1.26 -5.06 135.00 125.64 2cly s PRO 48 Ca 0.38 -0.74 -0.10 0.00 0.04 0.00 0.00 61.00 60.58 2cly s PRO 48 Cb 0.02 -2.23 0.10 0.00 0.04 0.00 0.00 34.50 32.43 2cly s PRO 48 CO 0.21 -1.46 1.11 -2.14 0.04 0.00 0.00 177.00 174.77 2cly s PRO 49 N -5.24 1.70 -0.20 0.56 0.02 -1.26 -5.00 135.00 125.58 2cly s PRO 49 Ca 0.65 1.30 -0.24 0.00 0.02 0.00 0.00 61.00 62.73 2cly s PRO 49 Cb -0.07 -1.82 -0.02 0.00 0.02 0.00 0.00 34.50 32.61 2cly s PRO 49 CO 0.45 -2.08 0.77 0.00 -0.33 0.00 0.00 177.00 175.81 2cly s ALA 50 N -2.80 3.56 -0.17 -1.55 0.00 -1.26 -5.01 121.76 114.53 2cly s ALA 50 Ca 0.63 -0.10 -0.32 0.00 0.00 0.00 0.00 51.96 52.17 2cly s ALA 50 Cb -0.19 -3.17 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 2cly s ALA 50 CO 0.57 -0.69 2.06 -0.89 0.00 0.00 0.00 175.76 176.81 2cly n ILE 51 N 4.86 0.45 -2.51 0.00 -0.00 -1.26 -4.82 119.36 116.09 2cly n ILE 51 Ca 0.03 -0.25 -0.40 0.00 -0.00 0.00 0.00 62.75 62.14 2cly n ILE 51 Cb 0.49 -2.08 -0.03 0.00 -0.00 0.00 0.00 39.64 38.01 2cly n ILE 51 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2cly s ASP 52 N 6.07 6.34 0.14 4.38 2.15 -1.26 -4.78 116.67 129.72 2cly s ASP 52 Ca 0.98 -1.32 -0.15 0.00 0.43 0.00 0.00 52.55 52.50 2cly s ASP 52 Cb -0.59 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 39.48 2cly s ASP 52 CO 0.45 -1.65 1.69 -0.50 -0.17 0.00 0.00 175.17 174.99 2cly h TRP 53 N 9.98 0.72 -0.65 -5.34 4.06 -1.99 -2.72 115.95 120.00 2cly h TRP 53 Ca 0.17 -0.06 0.06 0.00 2.06 0.00 0.00 58.89 61.12 2cly h TRP 53 Cb 1.01 -0.21 -0.08 0.00 -1.00 0.00 0.00 29.16 28.88 2cly h TRP 53 CO 1.27 0.62 -0.43 0.00 -3.56 0.00 0.00 178.44 176.33 2cly h ALA 54 N 1.02 -0.46 -0.43 1.49 0.00 -1.99 1.06 119.26 119.95 2cly h ALA 54 Ca 0.15 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.22 2cly h ALA 54 Cb 0.21 1.23 -0.08 0.00 0.00 0.00 0.00 17.79 19.15 2cly h ALA 54 CO -0.01 -0.74 -0.10 -0.92 0.00 0.00 0.00 179.25 177.48 2cly h TYR 55 N -0.06 -0.21 -0.41 0.00 3.20 -1.94 0.26 116.97 117.81 2cly h TYR 55 Ca 0.11 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2cly h TYR 55 Cb 0.33 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 2cly h TYR 55 CO -0.95 -0.18 0.21 1.88 -1.64 0.00 0.00 178.16 177.48 2cly h TYR 56 N 0.01 0.58 -0.15 -3.82 -1.99 -0.57 -2.23 116.97 108.80 2cly h TYR 56 Ca 0.21 -0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.95 2cly h TYR 56 Cb 0.32 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.84 2cly h TYR 56 CO -0.37 0.46 -0.05 -0.22 -0.00 0.00 0.00 178.16 177.98 2cly h LYS 57 N 0.52 -0.03 -0.94 4.88 3.64 0.21 0.59 116.57 125.44 2cly h LYS 57 Ca 0.14 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.67 2cly h LYS 57 Cb 0.09 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.84 2cly h LYS 57 CO -0.02 -0.02 0.60 0.00 -2.27 0.00 0.00 179.45 177.74 2cly h ALA 58 N 1.12 1.75 0.00 5.00 0.00 -0.27 -3.28 119.26 123.58 2cly h ALA 58 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2cly h ALA 58 Cb 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2cly h ALA 58 CO -0.17 -0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.16 2cly n ASN 59 N -4.60 0.76 -4.68 0.00 3.02 -0.86 -4.94 115.26 103.97 2cly n ASN 59 Ca 0.19 -0.91 -0.43 0.00 -0.03 0.00 0.00 54.58 53.41 2cly n ASN 59 Cb 0.47 0.16 -0.02 0.00 -0.61 0.00 0.00 39.78 39.78 2cly n ASN 59 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2cly s VAL 60 N -0.16 4.60 0.13 2.41 1.01 0.20 -4.91 120.40 123.68 2cly s VAL 60 Ca 0.00 1.90 0.00 0.00 0.00 0.00 0.00 61.98 63.89 2cly s VAL 60 Cb 0.00 -4.22 -0.21 0.00 0.00 0.00 0.00 36.38 31.95 2cly s VAL 60 CO 0.00 -0.07 1.28 0.00 0.00 0.00 0.00 175.10 176.31 2cly h ALA 61 N 7.39 0.34 -2.70 5.51 0.00 -1.89 -3.46 119.26 124.46 2cly h ALA 61 Ca -0.27 -0.80 -0.52 0.00 0.00 0.00 0.00 54.91 53.31 2cly h ALA 61 Cb 1.12 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.88 2cly h ALA 61 CO 0.91 0.98 0.59 0.21 0.00 0.00 0.00 179.25 181.94 2cly s LYS 62 N -2.95 4.46 0.43 0.00 2.20 -1.26 -4.94 119.74 117.67 2cly s LYS 62 Ca -0.03 1.95 -0.26 0.00 -0.36 0.00 0.00 55.97 57.28 2cly s LYS 62 Cb 0.09 -3.21 -0.09 0.00 -1.51 0.00 0.00 37.83 33.12 2cly s LYS 62 CO 0.85 -0.12 1.39 0.00 -0.36 0.00 0.00 175.35 177.11 2cly s ALA 63 N -0.20 3.28 0.00 3.13 0.00 -1.26 -3.68 121.76 123.03 2cly s ALA 63 Ca 0.53 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.88 2cly s ALA 63 Cb -0.34 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2cly s ALA 63 CO 0.39 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.51 2cly n GLY 64 N 0.60 0.00 0.03 0.00 0.00 -1.26 -4.77 105.19 99.79 2cly n GLY 64 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 2cly n GLY 64 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2cly h LEU 65 N 0.00 -0.10 -0.92 0.99 6.46 -1.97 0.15 115.31 119.92 2cly h LEU 65 Ca 0.00 0.01 0.26 0.00 -0.12 0.00 0.00 57.88 58.03 2cly h LEU 65 Cb 0.00 0.04 -0.16 0.00 -0.73 0.00 0.00 40.66 39.80 2cly h LEU 65 CO 0.00 -0.04 0.17 0.58 -0.62 0.00 0.00 178.44 178.53 2cly h VAL 66 N -0.05 0.17 -0.59 1.05 2.07 -1.86 0.49 116.25 117.53 2cly h VAL 66 Ca -0.00 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.51 2cly h VAL 66 Cb 0.05 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 29.84 2cly h VAL 66 CO -0.02 0.02 0.36 0.44 0.02 0.00 0.00 177.57 178.39 2cly h ASP 67 N 0.10 0.59 0.17 0.57 3.32 -1.62 0.15 116.42 119.71 2cly h ASP 67 Ca 0.59 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.64 2cly h ASP 67 Cb 1.24 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 2cly h ASP 67 CO -0.77 0.41 -0.24 -0.78 -1.72 0.00 0.00 179.24 176.15 2cly h ASP 68 N 0.71 -0.67 -0.85 6.45 3.58 0.26 -2.67 116.42 123.23 2cly h ASP 68 Ca 0.24 0.06 0.22 0.00 0.42 0.00 0.00 57.03 57.96 2cly h ASP 68 Cb 0.02 0.23 -0.14 0.00 1.72 0.00 0.00 39.33 41.16 2cly h ASP 68 CO -0.10 -0.29 0.16 -0.26 -2.88 0.00 0.00 179.24 175.87 2cly h PHE 69 N -0.43 0.22 0.45 0.28 -1.00 -0.25 -0.18 116.94 116.03 2cly h PHE 69 Ca -0.02 0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 2cly h PHE 69 Cb 0.38 0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.97 2cly h PHE 69 CO -0.22 -0.23 -0.37 1.49 -1.61 0.00 0.00 178.31 177.38 2cly h GLU 70 N 0.17 -0.78 0.00 1.51 4.81 -0.63 0.97 114.58 120.63 2cly h GLU 70 Ca 0.52 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.83 2cly h GLU 70 Cb 1.01 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 2cly h GLU 70 CO -0.67 -0.52 -0.30 0.87 -0.73 0.00 0.00 179.01 177.66 2cly h LYS 71 N -0.81 -0.44 -0.77 1.92 1.57 -0.98 -0.14 116.57 116.92 2cly h LYS 71 Ca -0.04 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2cly h LYS 71 Cb 0.70 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.06 2cly h LYS 71 CO -0.02 -0.29 0.49 0.87 -0.57 0.00 0.00 179.45 179.93 2cly h LYS 72 N -0.45 0.92 0.63 3.15 1.57 -0.74 0.31 116.57 121.95 2cly h LYS 72 Ca 0.06 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2cly h LYS 72 Cb 0.54 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2cly h LYS 72 CO -0.25 0.61 -0.37 0.35 -0.57 0.00 0.00 179.45 179.22 2cly h PHE 73 N 0.95 -0.97 -0.46 -1.35 3.57 -0.48 -0.67 116.94 117.54 2cly h PHE 73 Ca 0.31 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.87 2cly h PHE 73 Cb 0.01 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 2cly h PHE 73 CO -0.03 -0.56 0.31 -0.91 -2.23 0.00 0.00 178.31 174.88 2cly h ASN 74 N -0.93 0.27 1.61 0.41 2.35 0.06 -0.36 115.58 118.98 2cly h ASN 74 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2cly h ASN 74 Cb 0.75 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.06 2cly h ASN 74 CO 0.09 0.17 0.00 0.00 -1.65 0.00 0.00 177.43 176.04 2cly h ALA 75 N 1.76 1.00 -2.24 -0.83 0.00 -0.15 -3.47 119.26 115.33 2cly h ALA 75 Ca 0.21 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.56 2cly h ALA 75 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2cly h ALA 75 CO -0.04 0.00 0.84 -1.17 0.00 0.00 0.00 179.25 178.88 2cly s LEU 76 N -5.26 4.24 -0.53 0.00 2.96 -0.15 -4.98 118.68 114.97 2cly s LEU 76 Ca 0.08 1.83 -0.18 0.00 -0.22 0.00 0.00 54.13 55.64 2cly s LEU 76 Cb 0.09 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 43.31 2cly s LEU 76 CO 0.61 -0.71 0.62 -0.54 -1.32 0.00 0.00 176.35 175.00 2cly s LYS 77 N 2.98 3.07 -0.11 1.98 1.02 -1.26 -5.03 119.74 122.39 2cly s LYS 77 Ca 0.58 -1.14 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 2cly s LYS 77 Cb -0.25 -4.17 -0.02 0.00 -0.52 0.00 0.00 37.83 32.88 2cly s LYS 77 CO 0.20 -1.31 1.09 0.08 -0.92 0.00 0.00 175.35 174.49 2cly s VAL 78 N 2.47 4.57 0.41 3.17 1.01 -1.26 -5.01 120.40 125.76 2cly s VAL 78 Ca 0.12 1.86 -0.25 0.00 0.00 0.00 0.00 61.98 63.71 2cly s VAL 78 Cb -0.22 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 31.88 2cly s VAL 78 CO 0.09 -0.03 1.16 -2.84 0.00 0.00 0.00 175.10 173.48 2cly s PRO 79 N 2.32 4.03 -0.12 2.72 0.02 -1.26 -5.02 135.00 137.69 2cly s PRO 79 Ca 0.51 1.82 -0.24 0.00 0.02 0.00 0.00 61.00 63.11 2cly s PRO 79 Cb -0.20 -2.64 -0.03 0.00 0.02 0.00 0.00 34.50 31.65 2cly s PRO 79 CO 0.17 -0.34 0.74 0.42 -0.33 0.00 0.00 177.00 177.67 2cly s ILE 80 N -1.44 4.98 0.14 2.83 1.01 -1.26 -5.04 121.20 122.43 2cly s ILE 80 Ca 0.58 1.48 -0.33 0.00 0.00 0.00 0.00 60.65 62.38 2cly s ILE 80 Cb -0.30 -4.06 -0.12 0.00 0.01 0.00 0.00 42.46 37.98 2cly s ILE 80 CO 0.38 0.15 1.72 -0.81 0.00 0.00 0.00 174.94 176.38 2cly n PRO 81 N 4.50 2.53 -1.98 2.79 -0.04 -1.26 -4.90 135.00 136.64 2cly n PRO 81 Ca 0.01 0.92 -0.41 0.00 -0.04 0.00 0.00 63.50 63.97 2cly n PRO 81 Cb 0.50 -2.75 -0.02 0.00 -0.04 0.00 0.00 33.50 31.19 2cly n PRO 81 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2cly s GLU 82 N 1.78 4.25 -1.07 0.54 2.02 -1.26 -4.88 118.70 120.08 2cly s GLU 82 Ca 0.80 2.35 -0.16 0.00 0.02 0.00 0.00 54.97 57.97 2cly s GLU 82 Cb -0.57 -3.07 -0.08 0.00 0.10 0.00 0.00 34.13 30.51 2cly s GLU 82 CO 0.37 -0.41 2.13 -3.47 0.02 0.00 0.00 175.26 173.90 2cly n ASP 83 N 1.77 3.75 -1.46 -0.19 2.03 -1.26 -4.68 116.55 116.51 2cly n ASP 83 Ca 0.05 -2.67 -0.09 0.00 0.52 0.00 0.00 54.79 52.60 2cly n ASP 83 Cb 0.40 -1.32 0.06 0.00 -0.72 0.00 0.00 41.12 39.54 2cly n ASP 83 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2cly n LYS 84 N 6.08 1.45 0.00 -0.67 2.85 -1.26 -4.23 118.16 122.38 2cly n LYS 84 Ca 0.52 -1.06 0.00 0.00 -1.05 0.00 0.00 58.31 56.72 2cly n LYS 84 Cb 0.35 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.32 2cly n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2cly n TYR 85 N -0.01 0.00 -1.34 5.58 4.02 -1.26 -4.78 117.16 119.36 2cly n TYR 85 Ca 0.21 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.71 2cly n TYR 85 Cb 0.88 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.18 2cly n TYR 85 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 2cly n THR 86 N -0.34 2.97 0.45 -0.72 -1.04 -1.26 -3.95 114.28 110.39 2cly n THR 86 Ca 0.00 -2.29 0.12 0.00 -2.04 0.00 0.00 64.05 59.84 2cly n THR 86 Cb 0.01 -2.46 0.20 0.00 -1.82 0.00 0.00 70.33 66.27 2cly n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cly h ALA 87 N 6.43 0.74 -0.14 2.41 0.00 -1.96 -3.38 119.26 123.36 2cly h ALA 87 Ca 0.57 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.50 2cly h ALA 87 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2cly h ALA 87 CO 1.83 0.00 -0.28 0.37 0.00 0.00 0.00 179.25 181.17 2cly h GLN 88 N 0.00 -0.24 -1.13 0.00 5.75 -1.98 0.95 115.11 118.46 2cly h GLN 88 Ca 0.00 0.02 0.35 0.00 -0.15 0.00 0.00 58.65 58.86 2cly h GLN 88 Cb 0.83 0.05 -0.07 0.00 1.07 0.00 0.00 27.48 29.37 2cly h GLN 88 CO 0.00 -0.16 0.79 0.28 -2.65 0.00 0.00 178.83 177.09 2cly n VAL 89 N -4.04 -0.06 -0.12 2.39 0.31 -1.26 0.81 118.33 116.36 2cly n VAL 89 Ca -0.02 1.04 -0.26 0.00 -0.01 0.00 0.00 64.34 65.08 2cly n VAL 89 Cb 0.18 -1.71 -0.11 0.00 -0.91 0.00 0.00 33.84 31.29 2cly n VAL 89 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2cly n ASP 90 N -3.51 1.93 0.23 4.52 8.00 -0.49 -2.04 116.55 125.20 2cly n ASP 90 Ca 0.28 0.33 0.15 0.00 0.71 0.00 0.00 54.79 56.26 2cly n ASP 90 Cb 1.19 -0.85 0.63 0.00 -0.02 0.00 0.00 41.12 42.08 2cly n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cly h ALA 91 N -0.70 1.77 -0.62 2.24 0.00 0.18 -0.78 119.26 121.34 2cly h ALA 91 Ca -0.56 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2cly h ALA 91 Cb 1.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2cly h ALA 91 CO -0.30 -0.64 0.00 -1.91 0.00 0.00 0.00 179.25 176.40 2cly n GLU 92 N -3.04 0.00 -0.51 0.00 2.13 0.24 -3.69 120.64 115.77 2cly n GLU 92 Ca 0.03 0.40 0.41 0.00 0.66 0.00 0.00 57.16 58.66 2cly n GLU 92 Cb 0.64 -1.08 0.68 0.00 0.27 0.00 0.00 31.44 31.94 2cly n GLU 92 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2cly n GLU 93 N -1.69 -0.03 -0.03 5.31 1.02 -0.41 0.35 120.64 125.16 2cly n GLU 93 Ca 0.00 1.15 -0.13 0.00 -0.02 0.00 0.00 57.16 58.16 2cly n GLU 93 Cb 0.00 -2.35 -0.09 0.00 -0.02 0.00 0.00 31.44 28.98 2cly n GLU 93 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2cly h LYS 94 N 0.00 0.18 -0.02 3.49 1.57 -1.42 -2.51 116.57 117.86 2cly h LYS 94 Ca 0.85 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 59.54 2cly h LYS 94 Cb 2.92 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 35.24 2cly h LYS 94 CO -0.33 0.64 0.15 1.49 -0.57 0.00 0.00 179.45 180.82 2cly h GLU 95 N -0.27 0.00 0.09 3.15 4.81 -0.18 -1.65 114.58 120.54 2cly h GLU 95 Ca 0.01 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.11 2cly h GLU 95 Cb 0.61 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.01 2cly h GLU 95 CO 0.02 0.00 -0.56 -0.44 -0.73 0.00 0.00 179.01 177.30 2cly h ASP 96 N 0.00 0.33 -0.87 1.04 3.32 -1.19 3.70 116.42 122.75 2cly h ASP 96 Ca 0.01 -0.95 0.23 0.00 0.02 0.00 0.00 57.03 56.34 2cly h ASP 96 Cb 0.31 -0.11 -0.15 0.00 0.22 0.00 0.00 39.33 39.61 2cly h ASP 96 CO -0.00 1.26 0.17 0.58 -1.72 0.00 0.00 179.24 179.54 2cly h VAL 97 N -0.54 0.27 0.26 -1.35 2.07 -1.03 0.16 116.25 116.08 2cly h VAL 97 Ca -0.10 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2cly h VAL 97 Cb 1.43 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2cly h VAL 97 CO 0.11 0.03 -0.12 0.11 0.02 0.00 0.00 177.57 177.71 2cly h LYS 98 N 0.16 -0.33 0.01 1.57 1.79 -1.11 -3.36 116.57 115.30 2cly h LYS 98 Ca 0.54 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.03 2cly h LYS 98 Cb 1.08 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2cly h LYS 98 CO -0.70 -0.18 -0.05 1.03 -1.08 0.00 0.00 179.45 178.48 2cly h SER 99 N -1.08 -0.15 0.00 0.86 0.87 0.75 -3.34 113.55 111.46 2cly h SER 99 Ca -0.04 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2cly h SER 99 Cb 0.31 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2cly h SER 99 CO 0.06 -0.05 0.00 0.00 -0.53 0.00 0.00 176.83 176.31 2cly n ALA 101 N -3.00 0.00 -0.43 0.00 0.00 -1.26 0.35 120.51 116.17 2cly n ALA 101 Ca 0.00 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.79 2cly n ALA 101 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.09 2cly n ALA 101 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2cly h GLU 102 N 0.00 0.12 0.00 0.00 5.08 -1.71 0.36 114.58 118.42 2cly h GLU 102 Ca 0.00 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.13 2cly h GLU 102 Cb 0.00 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 2cly h GLU 102 CO 0.00 0.08 -1.77 0.34 -1.00 0.00 0.00 179.01 176.66 2cly n PHE 103 N -4.62 0.00 -0.23 4.33 7.35 1.07 -3.69 117.46 121.68 2cly n PHE 103 Ca 0.35 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.98 2cly n PHE 103 Cb 1.37 -0.51 -0.05 0.00 0.35 0.00 0.00 39.48 40.64 2cly n PHE 103 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2cly n LEU 104 N -3.28 -0.57 0.00 -2.13 0.00 0.48 0.05 117.00 111.55 2cly n LEU 104 Ca -0.26 1.33 0.00 0.00 0.00 0.00 0.00 56.01 57.08 2cly n LEU 104 Cb 0.72 -0.31 0.00 0.00 0.00 0.00 0.00 43.42 43.83 2cly n LEU 104 CO 0.07 -0.97 0.33 0.41 0.00 0.00 0.00 177.39 177.23 2cly n THR 105 N -4.23 0.00 -0.33 1.96 -1.04 0.10 -2.14 114.28 108.60 2cly n THR 105 Ca 0.01 1.16 0.22 0.00 -2.04 0.00 0.00 64.05 63.39 2cly n THR 105 Cb 0.14 -2.15 0.41 0.00 -1.82 0.00 0.00 70.33 66.92 2cly n THR 105 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 2cly h GLN 106 N 0.00 0.03 0.01 -2.82 4.15 -1.60 1.23 115.11 116.12 2cly h GLN 106 Ca 0.00 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2cly h GLN 106 Cb 0.00 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.68 2cly h GLN 106 CO 0.00 0.02 -0.01 1.03 -1.93 0.00 0.00 178.83 177.95 2cly h SER 107 N 0.03 -0.01 -0.70 -0.69 0.87 -0.48 -2.13 113.55 110.43 2cly h SER 107 Ca 0.70 -0.34 0.09 0.00 -1.23 0.00 0.00 61.79 61.01 2cly h SER 107 Cb 1.64 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.53 2cly h SER 107 CO -0.83 0.33 0.35 0.11 -0.53 0.00 0.00 176.83 176.26 2cly h LYS 108 N -0.36 0.58 -0.32 2.24 1.57 0.19 0.26 116.57 120.72 2cly h LYS 108 Ca -0.00 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2cly h LYS 108 Cb 0.35 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2cly h LYS 108 CO 0.00 0.38 0.10 0.00 -0.57 0.00 0.00 179.45 179.36 2cly h THR 109 N 0.59 1.21 -0.56 -0.16 1.03 -0.81 0.13 112.91 114.33 2cly h THR 109 Ca 0.35 -0.67 0.11 0.00 -0.01 0.00 0.00 66.41 66.19 2cly h THR 109 Cb 0.37 1.04 -0.09 0.00 -1.07 0.00 0.00 68.15 68.40 2cly h THR 109 CO -0.27 0.23 0.04 0.03 -0.01 0.00 0.00 175.52 175.54 2cly h ARG 110 N 0.36 0.15 -0.53 0.00 2.47 -0.74 -0.41 114.38 115.69 2cly h ARG 110 Ca 0.10 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 2cly h ARG 110 Cb 0.25 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 2cly h ARG 110 CO -0.00 0.10 0.28 0.97 0.56 0.00 0.00 179.97 181.88 2cly h ILE 111 N 0.16 1.17 0.56 2.04 2.10 0.12 -1.39 117.51 122.26 2cly h ILE 111 Ca 0.29 -0.43 -0.03 0.00 1.08 0.00 0.00 64.86 65.77 2cly h ILE 111 Cb 0.45 0.46 0.01 0.00 -1.09 0.00 0.00 36.82 36.64 2cly h ILE 111 CO -0.44 0.19 -0.27 1.56 -1.08 0.00 0.00 178.15 178.11 2cly h GLN 112 N 0.74 -0.72 -0.16 2.19 4.20 0.82 -1.22 115.11 120.95 2cly h GLN 112 Ca 0.19 0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.97 2cly h GLN 112 Cb 0.03 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2cly h GLN 112 CO -0.03 -0.46 0.02 1.05 -0.67 0.00 0.00 178.83 178.75 2cly h GLU 113 N -0.81 0.08 -0.90 1.46 4.11 -0.92 0.34 114.58 117.94 2cly h GLU 113 Ca -0.08 -0.00 0.17 0.00 0.07 0.00 0.00 59.36 59.52 2cly h GLU 113 Cb 0.60 -0.02 -0.17 0.00 0.50 0.00 0.00 28.75 29.66 2cly h GLU 113 CO 0.13 0.05 -0.27 1.88 0.07 0.00 0.00 179.01 180.87 2cly h TYR 114 N 0.08 -0.65 0.27 2.06 0.99 -1.25 0.76 116.97 119.24 2cly h TYR 114 Ca 0.07 0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.88 2cly h TYR 114 Cb 0.08 0.42 0.00 0.00 1.00 0.00 0.00 36.73 38.23 2cly h TYR 114 CO -0.14 -0.39 -0.13 0.93 -0.00 0.00 0.00 178.16 178.42 2cly h GLU 115 N -0.01 -0.35 -0.78 4.88 5.08 0.06 -0.23 114.58 123.23 2cly h GLU 115 Ca 0.40 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.95 2cly h GLU 115 Cb 0.64 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.92 2cly h GLU 115 CO -0.93 -0.23 0.52 -0.22 -1.00 0.00 0.00 179.01 177.15 2cly h LYS 116 N -0.38 0.38 -0.08 2.33 3.64 0.16 0.38 116.57 123.00 2cly h LYS 116 Ca -0.04 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 2cly h LYS 116 Cb 0.29 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2cly h LYS 116 CO 0.06 0.25 -0.41 1.49 -2.27 0.00 0.00 179.45 178.57 2cly h GLU 117 N 0.39 0.17 -0.02 1.90 4.57 0.14 -2.37 114.58 119.36 2cly h GLU 117 Ca 0.38 -0.08 -0.21 0.00 -1.18 0.00 0.00 59.36 58.28 2cly h GLU 117 Cb 0.94 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.52 2cly h GLU 117 CO -0.12 0.55 -0.87 -0.07 -1.18 0.00 0.00 179.01 177.32 2cly h LEU 118 N 0.14 0.46 -0.04 1.64 3.38 0.13 -3.18 115.31 117.84 2cly h LEU 118 Ca 0.01 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.66 2cly h LEU 118 Cb 0.79 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 2cly h LEU 118 CO 0.06 1.14 -0.40 -0.08 0.09 0.00 0.00 178.44 179.24 2cly h GLU 119 N 0.22 -0.51 -0.26 1.13 4.81 -0.13 -1.76 114.58 118.07 2cly h GLU 119 Ca -0.06 0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.08 2cly h GLU 119 Cb 1.49 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.98 2cly h GLU 119 CO 0.15 -0.34 -0.36 1.57 -0.73 0.00 0.00 179.01 179.29 2cly h LYS 120 N -0.53 0.59 0.00 1.92 2.10 -1.55 -2.51 116.57 116.59 2cly h LYS 120 Ca 0.06 -0.28 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 2cly h LYS 120 Cb 0.63 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 2cly h LYS 120 CO -0.34 0.87 0.00 -1.33 -2.00 0.00 0.00 179.45 176.65 2cly n MET 121 N -4.05 0.02 0.05 0.07 2.81 -1.07 -0.55 117.12 114.40 2cly n MET 121 Ca -0.01 0.34 0.09 0.00 -1.81 0.00 0.00 57.70 56.30 2cly n MET 121 Cb 0.49 -1.55 0.38 0.00 -0.71 0.00 0.00 33.22 31.83 2cly n MET 121 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2cly n ARG 122 N -1.60 0.07 0.00 0.03 0.63 -0.69 -5.09 116.66 110.01 2cly n ARG 122 Ca 0.02 0.31 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 2cly n ARG 122 Cb 0.13 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 31.41 2cly n ARG 122 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21