#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b1b n ASN 2 N 0.00 -3.61 0.00 6.12 5.03 -1.26 -1.84 115.26 119.70 1b1b n ASN 2 Ca 0.00 -0.52 0.00 0.00 0.87 0.00 0.00 54.58 54.93 1b1b n ASN 2 Cb 0.00 -4.55 0.00 0.00 -1.02 0.00 0.00 39.78 34.21 1b1b n ASN 2 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1b1b n GLU 3 N -4.06 0.00 -2.43 3.52 4.71 -1.26 -4.66 120.64 116.46 1b1b n GLU 3 Ca -0.15 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.67 1b1b n GLU 3 Cb 0.61 -2.22 0.01 0.00 -1.01 0.00 0.00 31.44 28.82 1b1b n GLU 3 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1b1b n LEU 4 N 0.00 5.94 0.00 -4.62 4.32 -0.77 -4.32 117.00 117.55 1b1b n LEU 4 Ca 0.00 -5.22 0.00 0.00 -0.02 0.00 0.00 56.01 50.77 1b1b n LEU 4 Cb 0.00 -0.77 0.00 0.00 -1.62 0.00 0.00 43.42 41.03 1b1b n LEU 4 CO 0.00 2.09 0.49 1.33 -1.22 0.00 0.00 177.39 180.08 1b1b n VAL 5 N -0.39 1.25 -3.30 4.08 0.24 -1.21 -3.79 118.33 115.22 1b1b n VAL 5 Ca 0.43 0.49 -0.09 0.00 -2.04 0.00 0.00 64.34 63.13 1b1b n VAL 5 Cb 0.42 -1.49 -0.06 0.00 -1.47 0.00 0.00 33.84 31.24 1b1b n VAL 5 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1b1b s ASP 6 N -2.61 0.34 0.10 -1.34 -1.08 -1.26 -4.56 116.67 106.25 1b1b s ASP 6 Ca 0.00 -0.39 -0.30 0.00 -0.52 0.00 0.00 52.55 51.34 1b1b s ASP 6 Cb 0.00 1.13 -0.12 0.00 -1.46 0.00 0.00 42.92 42.47 1b1b s ASP 6 CO 0.00 -0.35 1.62 0.71 0.52 0.00 0.00 175.17 177.66 1b1b h THR 7 N 6.14 0.30 -0.92 1.71 1.35 -1.94 0.35 112.91 119.89 1b1b h THR 7 Ca -0.08 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 65.96 1b1b h THR 7 Cb 1.12 0.30 -0.17 0.00 -1.73 0.00 0.00 68.15 67.66 1b1b h THR 7 CO 0.26 0.00 -0.24 0.74 -0.25 0.00 0.00 175.52 176.03 1b1b h THR 8 N -0.67 0.08 -0.10 6.82 2.02 -1.96 0.48 112.91 119.57 1b1b h THR 8 Ca -0.01 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.03 1b1b h THR 8 Cb 0.63 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1b1b h THR 8 CO -0.10 0.00 -0.55 -0.33 0.37 0.00 0.00 175.52 174.91 1b1b h GLU 9 N -0.00 0.31 0.10 6.66 5.08 -1.85 -2.67 114.58 122.20 1b1b h GLU 9 Ca 0.43 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1b1b h GLU 9 Cb 0.67 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1b1b h GLU 9 CO -0.95 0.78 -0.05 0.52 -1.00 0.00 0.00 179.01 178.32 1b1b h MET 10 N 0.24 -0.13 -0.13 2.33 2.86 0.20 0.13 114.93 120.43 1b1b h MET 10 Ca 0.00 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 1b1b h MET 10 Cb 1.05 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.68 1b1b h MET 10 CO 0.09 0.10 -0.21 1.88 1.06 0.00 0.00 176.91 179.83 1b1b h TYR 11 N -0.35 -0.56 -0.49 -0.22 -1.99 -0.87 0.35 116.97 112.82 1b1b h TYR 11 Ca -0.01 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.81 1b1b h TYR 11 Cb 0.29 0.27 -0.06 0.00 2.00 0.00 0.00 36.73 39.24 1b1b h TYR 11 CO -0.00 -0.29 0.18 -0.07 -0.00 0.00 0.00 178.16 177.98 1b1b h LEU 12 N -0.27 0.19 0.76 3.88 3.38 -1.38 -2.74 115.31 119.12 1b1b h LEU 12 Ca 0.10 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1b1b h LEU 12 Cb 0.42 0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.21 1b1b h LEU 12 CO -0.29 0.14 -0.37 -0.09 0.09 0.00 0.00 178.44 177.92 1b1b h ARG 13 N 0.36 -1.00 -1.16 1.13 1.12 0.21 -2.56 114.38 112.47 1b1b h ARG 13 Ca 0.23 0.07 0.34 0.00 -1.11 0.00 0.00 59.98 59.51 1b1b h ARG 13 Cb 0.24 0.23 -0.05 0.00 -0.01 0.00 0.00 29.97 30.38 1b1b h ARG 13 CO -0.23 -0.66 0.88 1.15 -3.11 0.00 0.00 179.97 177.99 1b1b h THR 14 N -1.03 0.36 -0.00 0.20 2.02 -0.15 1.07 112.91 115.38 1b1b h THR 14 Ca -0.10 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.84 1b1b h THR 14 Cb 0.80 0.38 0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1b1b h THR 14 CO 0.17 0.00 -0.97 0.40 0.37 0.00 0.00 175.52 175.48 1b1b h ILE 15 N 0.00 1.37 -0.95 3.11 2.04 -1.18 0.19 117.51 122.09 1b1b h ILE 15 Ca 0.55 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 64.03 1b1b h ILE 15 Cb 2.30 2.41 -0.05 0.00 -0.74 0.00 0.00 36.82 40.74 1b1b h ILE 15 CO -0.01 0.72 0.61 0.22 0.00 0.00 0.00 178.15 179.69 1b1b h TYR 16 N 0.28 1.22 0.40 1.37 5.03 0.15 -0.09 116.97 125.33 1b1b h TYR 16 Ca -0.09 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.21 1b1b h TYR 16 Cb 1.61 -0.41 0.00 0.00 1.55 0.00 0.00 36.73 39.49 1b1b h TYR 16 CO 0.07 0.79 -0.19 -0.44 -1.32 0.00 0.00 178.16 177.06 1b1b h ASP 17 N 1.30 -0.46 -0.97 -2.11 3.32 -0.95 -0.02 116.42 116.53 1b1b h ASP 17 Ca 0.35 -0.11 0.19 0.00 0.02 0.00 0.00 57.03 57.47 1b1b h ASP 17 Cb -0.11 0.12 -0.09 0.00 0.22 0.00 0.00 39.33 39.47 1b1b h ASP 17 CO -0.07 -0.12 0.61 -0.07 -1.72 0.00 0.00 179.24 177.87 1b1b h LEU 18 N -0.83 0.66 -0.43 1.55 3.38 -0.68 0.58 115.31 119.54 1b1b h LEU 18 Ca -0.06 0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1b1b h LEU 18 Cb 0.54 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1b1b h LEU 18 CO 0.09 0.25 -0.73 -0.33 0.09 0.00 0.00 178.44 177.82 1b1b h GLU 19 N 0.66 0.35 0.00 1.13 5.08 -0.95 -1.47 114.58 119.37 1b1b h GLU 19 Ca 0.54 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1b1b h GLU 19 Cb 0.97 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1b1b h GLU 19 CO -0.30 0.93 -0.19 1.49 -1.00 0.00 0.00 179.01 179.95 1b1b h GLU 20 N 0.24 0.00 0.00 2.33 4.81 0.16 -2.54 114.58 119.58 1b1b h GLU 20 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1b1b h GLU 20 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1b1b h GLU 20 CO 0.12 0.19 -0.15 0.39 -0.73 0.00 0.00 179.01 178.83 1b1b n GLU 21 N -3.25 0.06 -2.80 1.92 1.02 0.16 -4.92 120.64 112.83 1b1b n GLU 21 Ca 0.01 0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 57.10 1b1b n GLU 21 Cb 0.47 -1.56 0.04 0.00 -0.02 0.00 0.00 31.44 30.37 1b1b n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b1b n GLY 22 N 1.46 0.15 3.38 0.62 0.00 -0.96 -5.05 105.19 104.80 1b1b n GLY 22 Ca 0.06 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 1b1b n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b1b s VAL 23 N -3.16 0.58 -0.08 1.61 1.01 -0.57 -5.06 120.40 114.74 1b1b s VAL 23 Ca 0.11 -2.00 -0.22 0.00 0.00 0.00 0.00 61.98 59.87 1b1b s VAL 23 Cb -0.05 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1b1b s VAL 23 CO 0.34 0.00 0.65 -0.89 0.00 0.00 0.00 175.10 175.19 1b1b s THR 24 N -3.52 5.08 -1.05 3.92 2.01 -1.26 -4.30 115.64 116.52 1b1b s THR 24 Ca 0.34 1.32 -0.19 0.00 0.31 0.00 0.00 61.69 63.47 1b1b s THR 24 Cb 0.06 -3.99 -0.08 0.00 0.01 0.00 0.00 72.50 68.50 1b1b s THR 24 CO 0.16 0.26 2.01 -0.81 -0.69 0.00 0.00 174.62 175.55 1b1b n PRO 25 N 3.80 2.02 -3.18 4.92 -0.04 -1.26 -4.93 135.00 136.33 1b1b n PRO 25 Ca -0.03 -2.22 -0.39 0.00 -0.04 0.00 0.00 63.50 60.82 1b1b n PRO 25 Cb 0.51 -3.14 -0.06 0.00 -0.04 0.00 0.00 33.50 30.77 1b1b n PRO 25 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1b1b s LEU 26 N 2.62 4.54 0.58 1.53 1.43 -1.26 -3.54 118.68 124.59 1b1b s LEU 26 Ca 0.55 1.36 0.28 0.00 -1.03 0.00 0.00 54.13 55.30 1b1b s LEU 26 Cb 0.12 -3.02 1.67 0.00 0.03 0.00 0.00 46.19 44.99 1b1b s LEU 26 CO 0.06 0.24 2.13 0.03 0.23 0.00 0.00 176.35 179.03 1b1b h ARG 27 N 4.59 0.00 -0.60 1.70 3.08 -1.92 0.23 114.38 121.47 1b1b h ARG 27 Ca -0.48 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.54 1b1b h ARG 27 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 1b1b h ARG 27 CO 0.65 0.00 0.27 0.00 -1.07 0.00 0.00 179.97 179.82 1b1b h ALA 28 N 1.82 1.35 0.30 0.04 0.00 -1.97 0.19 119.26 120.99 1b1b h ALA 28 Ca 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1b1b h ALA 28 Cb 0.39 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1b1b h ALA 28 CO -0.00 0.50 -0.14 0.00 0.00 0.00 0.00 179.25 179.61 1b1b h ARG 29 N 0.85 -0.39 0.00 0.00 2.47 -0.91 -2.02 114.38 114.39 1b1b h ARG 29 Ca 0.21 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.95 1b1b h ARG 29 Cb 0.11 0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1b1b h ARG 29 CO -0.03 -0.05 -0.03 0.82 0.56 0.00 0.00 179.97 181.25 1b1b h ILE 30 N -0.87 0.96 -0.05 2.04 2.04 -1.28 0.34 117.51 120.68 1b1b h ILE 30 Ca -0.04 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 1b1b h ILE 30 Cb 0.52 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1b1b h ILE 30 CO 0.07 0.03 -0.28 0.00 0.00 0.00 0.00 178.15 177.97 1b1b h ALA 31 N 1.97 0.10 -0.13 1.87 0.00 -0.97 -2.64 119.26 119.46 1b1b h ALA 31 Ca -0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1b1b h ALA 31 Cb 0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1b1b h ALA 31 CO 0.00 0.13 -0.05 1.05 0.00 0.00 0.00 179.25 180.39 1b1b h GLU 32 N -0.25 0.26 -0.74 0.00 9.09 -0.78 0.23 114.58 122.38 1b1b h GLU 32 Ca -0.02 -0.11 0.10 0.00 0.05 0.00 0.00 59.36 59.38 1b1b h GLU 32 Cb 0.94 -0.01 -0.05 0.00 -1.65 0.00 0.00 28.75 27.98 1b1b h GLU 32 CO 0.06 0.58 0.49 -0.09 0.05 0.00 0.00 179.01 180.10 1b1b h ARG 33 N -0.07 0.60 -0.02 1.06 9.65 -0.45 -2.56 114.38 122.59 1b1b h ARG 33 Ca 0.03 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1b1b h ARG 33 Cb 0.50 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 1b1b h ARG 33 CO 0.02 0.40 -0.14 1.28 2.80 0.00 0.00 179.97 184.32 1b1b n LEU 34 N -4.50 2.06 -1.42 3.80 4.77 -1.00 -4.98 117.00 115.74 1b1b n LEU 34 Ca 0.13 -0.90 -0.13 0.00 -0.03 0.00 0.00 56.01 55.08 1b1b n LEU 34 Cb 0.36 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 1b1b n LEU 34 CO 0.33 0.38 -0.16 -0.67 -1.33 0.00 0.00 177.39 175.93 1b1b n ASP 35 N 0.48 -4.06 -4.91 -1.43 2.03 0.03 -5.01 116.55 103.69 1b1b n ASP 35 Ca 0.08 0.01 -0.30 0.00 0.52 0.00 0.00 54.79 55.11 1b1b n ASP 35 Cb 0.38 -3.21 -0.04 0.00 -0.72 0.00 0.00 41.12 37.54 1b1b n ASP 35 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1b1b s GLN 36 N -4.51 3.38 0.28 -0.67 -1.52 0.59 -5.01 119.66 112.19 1b1b s GLN 36 Ca 0.00 -0.51 -0.16 0.00 -1.95 0.00 0.00 55.36 52.73 1b1b s GLN 36 Cb 0.00 -2.98 -0.09 0.00 -0.22 0.00 0.00 33.01 29.72 1b1b s GLN 36 CO 0.00 0.58 0.72 -1.54 -0.25 0.00 0.00 175.29 174.80 1b1b s SER 37 N -2.70 6.86 0.17 5.90 1.04 -1.26 -4.32 113.70 119.40 1b1b s SER 37 Ca 0.34 1.30 -0.22 0.00 0.48 0.00 0.00 55.95 57.86 1b1b s SER 37 Cb -0.12 -2.38 0.09 0.00 0.10 0.00 0.00 66.02 63.71 1b1b s SER 37 CO 0.27 -0.11 1.60 1.23 0.98 0.00 0.00 173.24 177.21 1b1b h GLY 38 N 2.70 -0.16 0.97 7.32 0.00 -1.92 -0.50 103.07 111.47 1b1b h GLY 38 Ca -0.48 0.41 0.07 0.00 0.00 0.00 0.00 47.33 47.34 1b1b h GLY 38 CO 0.65 -0.21 0.44 -2.55 0.00 0.00 0.00 176.54 174.88 1b1b h PRO 39 N -0.20 0.00 0.02 4.80 0.11 -2.00 -0.22 132.00 134.51 1b1b h PRO 39 Ca 0.20 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.95 1b1b h PRO 39 Cb 0.54 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.59 1b1b h PRO 39 CO -0.59 0.00 -2.23 2.41 -0.21 0.00 0.00 178.00 177.38 1b1b n THR 40 N -3.34 1.54 -0.18 -1.15 -1.04 -0.52 -3.39 114.28 106.20 1b1b n THR 40 Ca 0.04 -0.72 -0.04 0.00 -2.04 0.00 0.00 64.05 61.29 1b1b n THR 40 Cb 0.57 -1.12 0.15 0.00 -1.82 0.00 0.00 70.33 68.11 1b1b n THR 40 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1b1b h VAL 41 N 0.01 1.24 -0.02 12.58 -1.51 0.44 0.30 116.25 129.30 1b1b h VAL 41 Ca -0.49 -0.85 -0.13 0.00 -1.23 0.00 0.00 66.70 64.01 1b1b h VAL 41 Cb 2.05 0.59 -0.02 0.00 -2.13 0.00 0.00 31.29 31.79 1b1b h VAL 41 CO 0.01 0.32 -0.58 0.28 -1.23 0.00 0.00 177.57 176.37 1b1b h SER 42 N 0.91 0.06 -0.45 4.19 0.02 -1.43 0.43 113.55 117.28 1b1b h SER 42 Ca 0.20 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1b1b h SER 42 Cb 0.30 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1b1b h SER 42 CO -0.00 0.63 0.15 -0.61 -1.14 0.00 0.00 176.83 175.86 1b1b h GLN 43 N 0.04 0.69 -0.34 3.45 4.15 -1.22 0.43 115.11 122.31 1b1b h GLN 43 Ca -0.01 -0.14 -0.15 0.00 0.77 0.00 0.00 58.65 59.12 1b1b h GLN 43 Cb 1.04 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.63 1b1b h GLN 43 CO 0.08 0.66 -0.39 1.15 -1.93 0.00 0.00 178.83 178.40 1b1b h THR 44 N 0.58 1.28 0.17 2.39 2.02 0.07 -2.40 112.91 117.03 1b1b h THR 44 Ca 0.15 -1.57 -0.01 0.00 0.77 0.00 0.00 66.41 65.75 1b1b h THR 44 Cb 0.25 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1b1b h THR 44 CO -0.01 0.52 -0.08 0.58 0.37 0.00 0.00 175.52 176.90 1b1b h VAL 45 N 0.66 0.91 -0.88 3.16 2.07 0.04 0.26 116.25 122.48 1b1b h VAL 45 Ca 0.05 -0.43 0.11 0.00 0.82 0.00 0.00 66.70 67.26 1b1b h VAL 45 Cb 0.98 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.85 1b1b h VAL 45 CO 0.09 0.10 0.51 -1.28 0.02 0.00 0.00 177.57 177.01 1b1b h SER 46 N -0.44 0.71 -0.20 0.57 0.87 -0.96 1.13 113.55 115.23 1b1b h SER 46 Ca -0.02 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1b1b h SER 46 Cb 0.34 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1b1b h SER 46 CO 0.04 0.37 0.13 -0.09 -0.53 0.00 0.00 176.83 176.75 1b1b h ARG 47 N 0.80 0.26 0.00 2.24 2.43 -1.06 0.11 114.38 119.16 1b1b h ARG 47 Ca 0.44 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1b1b h ARG 47 Cb 0.47 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1b1b h ARG 47 CO -0.28 0.17 0.00 -1.33 -1.51 0.00 0.00 179.97 177.02 1b1b n MET 48 N -4.96 0.04 0.13 0.20 2.81 0.88 -1.59 117.12 114.63 1b1b n MET 48 Ca -0.03 0.21 -0.24 0.00 -1.81 0.00 0.00 57.70 55.82 1b1b n MET 48 Cb 0.03 -1.56 -0.16 0.00 -0.71 0.00 0.00 33.22 30.82 1b1b n MET 48 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1b1b h GLU 49 N 0.00 0.51 0.00 0.03 5.08 0.29 -1.41 114.58 119.08 1b1b h GLU 49 Ca 0.00 -0.87 0.00 0.00 -1.00 0.00 0.00 59.36 57.49 1b1b h GLU 49 Cb 0.35 0.32 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1b1b h GLU 49 CO 0.00 1.42 0.00 0.54 -1.00 0.00 0.00 179.01 179.97 1b1b n ARG 50 N -3.70 0.68 0.00 2.33 1.74 0.21 -2.35 116.66 115.56 1b1b n ARG 50 Ca -0.19 0.01 0.04 0.00 -0.77 0.00 0.00 57.85 56.94 1b1b n ARG 50 Cb 1.10 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 31.03 1b1b n ARG 50 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1b1b n ASP 51 N -1.07 0.95 -0.48 0.55 9.92 -0.83 -5.02 116.55 120.57 1b1b n ASP 51 Ca 0.17 -0.97 -0.04 0.00 -0.53 0.00 0.00 54.79 53.42 1b1b n ASP 51 Cb 0.11 0.54 -0.00 0.00 -0.64 0.00 0.00 41.12 41.13 1b1b n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b1b n GLY 52 N 0.83 0.22 0.11 0.44 0.00 -0.99 -4.96 105.19 100.85 1b1b n GLY 52 Ca 0.03 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 1b1b n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b1b n LEU 53 N -0.60 1.17 -4.41 0.99 4.77 -0.54 -4.13 117.00 114.23 1b1b n LEU 53 Ca -0.05 -0.05 -0.20 0.00 -0.03 0.00 0.00 56.01 55.68 1b1b n LEU 53 Cb 0.54 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1b1b n LEU 53 CO 0.06 0.67 -0.25 -0.76 -1.33 0.00 0.00 177.39 175.78 1b1b s LEU 54 N -5.90 1.96 -0.15 2.23 1.43 -1.16 -0.00 118.68 117.09 1b1b s LEU 54 Ca -0.20 -1.43 -0.08 0.00 -1.03 0.00 0.00 54.13 51.39 1b1b s LEU 54 Cb 0.07 -0.19 0.06 0.00 0.03 0.00 0.00 46.19 46.16 1b1b s LEU 54 CO 0.74 -0.70 0.36 0.00 0.23 0.00 0.00 176.35 176.98 1b1b s ARG 55 N -3.91 0.32 -0.72 1.70 1.70 -0.16 -4.56 118.95 113.32 1b1b s ARG 55 Ca 0.35 0.75 -0.20 0.00 -0.47 0.00 0.00 55.73 56.16 1b1b s ARG 55 Cb 0.07 -0.01 0.10 0.00 -0.57 0.00 0.00 34.95 34.54 1b1b s ARG 55 CO 0.15 -0.18 0.92 0.08 -1.08 0.00 0.00 175.30 175.20 1b1b s VAL 56 N 1.56 4.63 0.17 4.99 1.01 -1.26 -1.40 120.40 130.10 1b1b s VAL 56 Ca -0.08 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 1b1b s VAL 56 Cb -0.09 -4.65 0.04 0.00 0.00 0.00 0.00 36.38 31.68 1b1b s VAL 56 CO -0.11 -1.36 0.17 0.00 0.00 0.00 0.00 175.10 173.80 1b1b n ALA 57 N 6.85 -0.43 -0.14 5.51 0.00 -1.26 -4.80 120.51 126.23 1b1b n ALA 57 Ca 0.03 -0.25 -0.07 0.00 0.00 0.00 0.00 53.44 53.15 1b1b n ALA 57 Cb 0.46 -0.02 0.02 0.00 0.00 0.00 0.00 19.45 19.91 1b1b n ALA 57 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1b1b h GLY 58 N -0.67 0.61 1.21 0.00 0.00 -1.96 0.03 103.07 102.29 1b1b h GLY 58 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1b1b h GLY 58 CO 0.04 0.18 0.29 1.34 0.00 0.00 0.00 176.54 178.40 1b1b n ASP 59 N -4.83 0.34 0.00 0.19 -0.08 -1.26 -4.71 116.55 106.20 1b1b n ASP 59 Ca 0.02 0.56 0.00 0.00 -1.51 0.00 0.00 54.79 53.86 1b1b n ASP 59 Cb 0.05 -0.51 0.00 0.00 2.34 0.00 0.00 41.12 43.01 1b1b n ASP 59 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1b1b n ARG 60 N -2.05 0.00 -2.07 -0.67 1.85 -0.00 -4.89 116.66 108.82 1b1b n ARG 60 Ca -0.01 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.42 1b1b n ARG 60 Cb 0.31 -2.68 -0.03 0.00 -1.05 0.00 0.00 32.46 29.01 1b1b n ARG 60 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 1b1b s HIS 61 N -1.11 2.35 0.27 2.89 -3.43 -1.26 -4.71 115.29 110.29 1b1b s HIS 61 Ca 0.00 0.43 -0.29 0.00 -0.80 0.00 0.00 55.06 54.40 1b1b s HIS 61 Cb 0.00 -3.83 -0.14 0.00 -1.43 0.00 0.00 32.58 27.18 1b1b s HIS 61 CO 0.00 -3.35 1.10 1.28 -2.00 0.00 0.00 174.74 171.77 1b1b n LEU 62 N 6.35 2.07 -4.17 5.38 4.77 -1.23 -4.06 117.00 126.11 1b1b n LEU 62 Ca 0.16 1.17 -0.25 0.00 -0.03 0.00 0.00 56.01 57.06 1b1b n LEU 62 Cb 0.43 -1.31 -0.15 0.00 -2.33 0.00 0.00 43.42 40.05 1b1b n LEU 62 CO 0.61 -1.20 -0.50 -1.61 -1.33 0.00 0.00 177.39 173.35 1b1b s GLU 63 N -1.32 1.48 -0.17 3.23 2.02 -0.49 -4.84 118.70 118.59 1b1b s GLU 63 Ca 0.61 -0.64 -0.29 0.00 0.02 0.00 0.00 54.97 54.67 1b1b s GLU 63 Cb -0.70 -1.41 -0.01 0.00 0.10 0.00 0.00 34.13 32.10 1b1b s GLU 63 CO 0.58 0.38 1.16 -0.51 0.02 0.00 0.00 175.26 176.89 1b1b s LEU 64 N -0.39 4.17 0.72 1.80 1.43 -1.26 -0.99 118.68 124.15 1b1b s LEU 64 Ca 0.06 1.58 -0.11 0.00 -1.03 0.00 0.00 54.13 54.63 1b1b s LEU 64 Cb -0.07 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.63 1b1b s LEU 64 CO -0.00 -0.69 1.10 -0.89 0.23 0.00 0.00 176.35 176.10 1b1b s THR 65 N 3.16 3.23 0.50 5.49 2.01 0.99 -4.62 115.64 126.40 1b1b s THR 65 Ca 0.51 0.37 0.32 0.00 0.31 0.00 0.00 61.69 63.19 1b1b s THR 65 Cb -0.19 -3.39 0.51 0.00 0.01 0.00 0.00 72.50 69.44 1b1b s THR 65 CO 0.13 -0.51 1.78 1.05 -0.69 0.00 0.00 174.62 176.38 1b1b h GLU 66 N -0.70 0.11 0.10 4.92 9.09 -1.85 0.57 114.58 126.81 1b1b h GLU 66 Ca -0.45 -0.01 -0.28 0.00 0.05 0.00 0.00 59.36 58.67 1b1b h GLU 66 Cb 1.27 -0.02 0.02 0.00 -1.65 0.00 0.00 28.75 28.36 1b1b h GLU 66 CO 0.64 0.07 -1.18 1.57 0.05 0.00 0.00 179.01 180.16 1b1b h LYS 67 N 0.11 0.51 -0.31 1.06 5.09 -1.83 -2.75 116.57 118.44 1b1b h LYS 67 Ca 0.60 -0.68 -0.09 0.00 0.09 0.00 0.00 60.65 60.57 1b1b h LYS 67 Cb 2.13 0.22 -0.01 0.00 0.10 0.00 0.00 32.23 34.68 1b1b h LYS 67 CO -0.11 1.29 -0.17 0.78 -2.09 0.00 0.00 179.45 179.15 1b1b h GLY 68 N 0.75 0.72 2.00 0.07 0.00 0.20 0.03 103.07 106.85 1b1b h GLY 68 Ca -0.16 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.48 1b1b h GLY 68 CO 0.22 0.60 -0.15 3.21 0.00 0.00 0.00 176.54 180.41 1b1b h ARG 69 N 0.43 0.00 0.12 4.80 2.47 -0.88 -0.36 114.38 120.96 1b1b h ARG 69 Ca 0.07 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 1b1b h ARG 69 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 1b1b h ARG 69 CO 0.05 0.15 -0.06 0.00 0.56 0.00 0.00 179.97 180.67 1b1b h ALA 70 N 1.85 -0.17 0.00 0.04 0.00 -1.19 -0.97 119.26 118.82 1b1b h ALA 70 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1b1b h ALA 70 Cb 0.61 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1b1b h ALA 70 CO 0.02 -0.20 0.00 -0.11 0.00 0.00 0.00 179.25 178.96 1b1b n LEU 71 N -4.86 0.00 -0.11 0.00 7.94 -0.03 -2.83 117.00 117.11 1b1b n LEU 71 Ca -0.06 0.22 -0.22 0.00 -1.11 0.00 0.00 56.01 54.84 1b1b n LEU 71 Cb 0.23 -0.22 -0.12 0.00 0.53 0.00 0.00 43.42 43.84 1b1b n LEU 71 CO 0.19 -0.09 -1.24 0.00 -1.11 0.00 0.00 177.39 175.14 1b1b n ALA 72 N -1.22 1.25 -0.23 1.96 0.00 -0.15 -3.93 120.51 118.19 1b1b n ALA 72 Ca 0.10 -0.99 -0.07 0.00 0.00 0.00 0.00 53.44 52.48 1b1b n ALA 72 Cb 0.12 -0.16 0.04 0.00 0.00 0.00 0.00 19.45 19.45 1b1b n ALA 72 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1b1b h ILE 73 N -0.31 1.23 -0.29 0.00 2.10 -1.06 -2.49 117.51 116.68 1b1b h ILE 73 Ca -0.57 -0.67 -0.03 0.00 1.08 0.00 0.00 64.86 64.67 1b1b h ILE 73 Cb 1.81 0.49 -0.01 0.00 -1.09 0.00 0.00 36.82 38.01 1b1b h ILE 73 CO -0.16 0.27 0.08 0.00 -1.08 0.00 0.00 178.15 177.26 1b1b h ALA 74 N 1.12 0.38 -0.20 0.18 0.00 -1.74 -1.20 119.26 117.80 1b1b h ALA 74 Ca 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1b1b h ALA 74 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1b1b h ALA 74 CO -0.02 0.04 0.10 0.28 0.00 0.00 0.00 179.25 179.64 1b1b h VAL 75 N 0.31 1.07 0.00 0.00 2.07 -1.67 0.21 116.25 118.25 1b1b h VAL 75 Ca 0.09 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 1b1b h VAL 75 Cb 0.28 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1b1b h VAL 75 CO 0.00 0.08 -0.54 0.24 0.02 0.00 0.00 177.57 177.37 1b1b h MET 76 N 0.28 0.00 0.05 1.57 2.07 -1.06 0.15 114.93 117.98 1b1b h MET 76 Ca 0.07 0.00 -0.20 0.00 -2.07 0.00 0.00 59.70 57.50 1b1b h MET 76 Cb 0.03 0.00 0.02 0.00 -1.87 0.00 0.00 31.60 29.77 1b1b h MET 76 CO -0.01 0.54 -0.80 -0.09 1.07 0.00 0.00 176.91 177.61 1b1b h ARG 77 N 0.00 0.46 0.03 1.72 2.43 0.10 -2.04 114.38 117.08 1b1b h ARG 77 Ca -0.01 -0.56 -0.00 0.00 -0.81 0.00 0.00 59.98 58.60 1b1b h ARG 77 Cb 1.26 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 1b1b h ARG 77 CO 0.07 1.21 -0.02 0.87 -1.51 0.00 0.00 179.97 180.59 1b1b h LYS 78 N -0.03 -0.04 -0.27 0.20 1.57 -0.60 0.41 116.57 117.81 1b1b h LYS 78 Ca -0.11 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1b1b h LYS 78 Cb 1.52 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.77 1b1b h LYS 78 CO 0.16 0.08 -0.55 1.25 -0.57 0.00 0.00 179.45 179.82 1b1b h HIS 79 N -0.16 -1.65 -0.34 -1.35 2.76 -0.77 -0.02 115.15 113.62 1b1b h HIS 79 Ca -0.00 0.07 -0.07 0.00 -2.20 0.00 0.00 60.37 58.16 1b1b h HIS 79 Cb 0.14 0.76 -0.02 0.00 1.55 0.00 0.00 27.41 29.84 1b1b h HIS 79 CO -0.04 -0.52 -0.09 0.00 -1.30 0.00 0.00 177.93 175.98 1b1b h ARG 80 N -0.49 0.58 -0.33 5.26 3.08 -1.24 -1.84 114.38 119.39 1b1b h ARG 80 Ca 0.05 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1b1b h ARG 80 Cb 0.64 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1b1b h ARG 80 CO -0.51 0.67 0.17 -0.07 -1.07 0.00 0.00 179.97 179.16 1b1b h LEU 81 N 0.54 0.42 -1.07 3.04 4.07 0.40 -2.26 115.31 120.44 1b1b h LEU 81 Ca 0.10 -0.10 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 1b1b h LEU 81 Cb 0.48 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.09 1b1b h LEU 81 CO 0.03 0.40 0.25 0.00 -1.08 0.00 0.00 178.44 178.03 1b1b h ALA 82 N 1.04 1.27 -0.81 1.53 0.00 -0.70 -1.78 119.26 119.81 1b1b h ALA 82 Ca 0.12 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1b1b h ALA 82 Cb 0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1b1b h ALA 82 CO -0.02 0.54 0.53 0.93 0.00 0.00 0.00 179.25 181.24 1b1b h GLU 83 N 0.89 1.03 0.22 0.00 5.08 -0.79 0.36 114.58 121.37 1b1b h GLU 83 Ca 0.21 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1b1b h GLU 83 Cb 0.17 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1b1b h GLU 83 CO -0.02 0.68 -0.11 0.00 -1.00 0.00 0.00 179.01 178.57 1b1b h ARG 84 N 1.06 -0.29 -0.71 2.33 2.47 -0.87 -2.63 114.38 115.75 1b1b h ARG 84 Ca 0.30 0.02 0.15 0.00 -1.26 0.00 0.00 59.98 59.20 1b1b h ARG 84 Cb -0.07 0.06 -0.11 0.00 -1.65 0.00 0.00 29.97 28.20 1b1b h ARG 84 CO -0.07 0.07 0.12 1.25 0.56 0.00 0.00 179.97 181.89 1b1b h LEU 85 N -0.69 -0.09 -0.83 3.04 5.85 -0.61 0.73 115.31 122.70 1b1b h LEU 85 Ca -0.03 0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 1b1b h LEU 85 Cb 0.48 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1b1b h LEU 85 CO 0.05 -0.07 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.73 1b1b h LEU 86 N 0.21 0.57 0.00 2.25 3.38 -0.35 0.23 115.31 121.60 1b1b h LEU 86 Ca 0.39 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1b1b h LEU 86 Cb 0.66 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1b1b h LEU 86 CO -0.53 0.83 -0.17 0.58 0.09 0.00 0.00 178.44 179.24 1b1b h VAL 87 N 0.48 0.00 0.16 1.22 2.07 -0.74 0.68 116.25 120.12 1b1b h VAL 87 Ca 0.06 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1b1b h VAL 87 Cb 0.73 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1b1b h VAL 87 CO 0.06 0.00 -0.21 0.44 0.02 0.00 0.00 177.57 177.87 1b1b h ASP 88 N -0.59 -0.60 0.00 0.57 5.19 0.26 -3.04 116.42 118.20 1b1b h ASP 88 Ca 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1b1b h ASP 88 Cb 0.17 0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1b1b h ASP 88 CO 0.00 -0.26 0.00 0.52 -3.12 0.00 0.00 179.24 176.38 1b1b n VAL 89 N -3.63 0.00 0.08 -1.35 0.31 -0.64 -4.39 118.33 108.71 1b1b n VAL 89 Ca -0.04 0.35 0.18 0.00 -0.01 0.00 0.00 64.34 64.81 1b1b n VAL 89 Cb 0.18 -1.08 0.70 0.00 -0.91 0.00 0.00 33.84 32.74 1b1b n VAL 89 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1b1b h ILE 90 N 0.00 0.73 -0.35 2.52 2.04 -0.69 -3.47 117.51 118.29 1b1b h ILE 90 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 1b1b h ILE 90 Cb 0.00 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1b1b h ILE 90 CO 0.00 0.00 -0.10 0.61 0.00 0.00 0.00 178.15 178.66 1b1b n GLY 91 N -1.58 0.60 3.76 5.37 0.00 0.18 -4.97 105.19 108.55 1b1b n GLY 91 Ca 0.06 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 1b1b n GLY 91 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1b1b s LEU 92 N -1.18 3.98 0.17 0.99 2.96 0.17 -4.89 118.68 120.88 1b1b s LEU 92 Ca 0.00 2.63 -0.34 0.00 -0.22 0.00 0.00 54.13 56.20 1b1b s LEU 92 Cb 0.00 -4.17 -0.14 0.00 0.50 0.00 0.00 46.19 42.38 1b1b s LEU 92 CO 0.00 -1.23 1.59 -0.81 -1.32 0.00 0.00 176.35 174.58 1b1b n PRO 93 N -0.61 2.22 -0.67 0.98 -0.04 -1.26 -4.53 135.00 131.09 1b1b n PRO 93 Ca 0.08 0.80 0.50 0.00 -0.04 0.00 0.00 63.50 64.84 1b1b n PRO 93 Cb 0.45 -2.58 0.77 0.00 -0.04 0.00 0.00 33.50 32.10 1b1b n PRO 93 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1b1b n TRP 94 N 3.48 0.00 0.40 0.54 -0.00 -1.26 -0.06 117.44 120.53 1b1b n TRP 94 Ca 0.17 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.78 1b1b n TRP 94 Cb 0.29 -0.46 0.08 0.00 -0.00 0.00 0.00 31.31 31.22 1b1b n TRP 94 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1b1b n GLU 95 N -3.79 0.41 0.00 5.87 1.02 -1.26 -3.93 120.64 118.96 1b1b n GLU 95 Ca 0.42 0.08 0.03 0.00 -0.02 0.00 0.00 57.16 57.66 1b1b n GLU 95 Cb 1.89 -1.72 -0.11 0.00 -0.02 0.00 0.00 31.44 31.48 1b1b n GLU 95 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1b1b n GLU 96 N -2.29 0.64 -0.13 3.49 1.02 0.91 -4.53 120.64 119.75 1b1b n GLU 96 Ca 0.02 0.05 -0.07 0.00 -0.02 0.00 0.00 57.16 57.13 1b1b n GLU 96 Cb 0.48 -1.67 -0.01 0.00 -0.02 0.00 0.00 31.44 30.21 1b1b n GLU 96 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1b1b h VAL 97 N 0.00 0.22 -0.41 2.62 2.07 -1.56 -2.91 116.25 116.28 1b1b h VAL 97 Ca -0.17 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1b1b h VAL 97 Cb 1.47 0.22 -0.09 0.00 -1.52 0.00 0.00 31.29 31.36 1b1b h VAL 97 CO 0.02 0.00 -0.39 -0.74 0.02 0.00 0.00 177.57 176.48 1b1b h HIS 98 N -0.24 -1.13 0.00 1.57 -0.00 -1.80 0.15 115.15 113.70 1b1b h HIS 98 Ca 0.18 0.07 -0.02 0.00 -0.00 0.00 0.00 60.37 60.60 1b1b h HIS 98 Cb 0.54 0.55 -0.00 0.00 -0.00 0.00 0.00 27.41 28.50 1b1b h HIS 98 CO -0.55 -0.42 -0.08 0.00 -0.00 0.00 0.00 177.93 176.88 1b1b h ALA 99 N 0.55 1.63 0.21 5.26 0.00 -1.85 0.10 119.26 125.17 1b1b h ALA 99 Ca 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1b1b h ALA 99 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1b1b h ALA 99 CO -0.57 0.10 -0.10 1.49 0.00 0.00 0.00 179.25 180.16 1b1b h GLU 100 N 0.00 -0.28 0.00 0.00 4.57 -0.72 -3.24 114.58 114.91 1b1b h GLU 100 Ca -0.00 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1b1b h GLU 100 Cb 0.16 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1b1b h GLU 100 CO 0.01 0.11 -0.12 0.00 -1.18 0.00 0.00 179.01 177.83 1b1b h ALA 101 N -0.37 1.57 -0.08 2.92 0.00 -0.62 -1.71 119.26 120.97 1b1b h ALA 101 Ca -0.03 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1b1b h ALA 101 Cb 0.51 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1b1b h ALA 101 CO 0.05 0.15 0.10 0.00 0.00 0.00 0.00 179.25 179.55 1b1b n ARG 103 N -3.79 0.54 -0.15 0.00 1.74 -0.69 -4.46 116.66 109.85 1b1b n ARG 103 Ca -0.01 0.28 0.28 0.00 -0.77 0.00 0.00 57.85 57.63 1b1b n ARG 103 Cb 0.20 -1.49 0.72 0.00 -1.02 0.00 0.00 32.46 30.87 1b1b n ARG 103 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1b1b h TRP 104 N -1.00 0.00 -0.57 -1.55 4.06 -1.41 0.05 115.95 115.53 1b1b h TRP 104 Ca -0.24 0.00 0.13 0.00 2.06 0.00 0.00 58.89 60.84 1b1b h TRP 104 Cb 1.16 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.29 1b1b h TRP 104 CO -0.27 0.00 0.39 1.05 -3.56 0.00 0.00 178.44 176.05 1b1b h GLU 105 N 0.00 0.16 -0.00 0.49 4.11 -1.42 0.13 114.58 118.05 1b1b h GLU 105 Ca 0.40 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.82 1b1b h GLU 105 Cb 1.69 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1b1b h GLU 105 CO -0.00 0.11 -0.21 0.72 0.07 0.00 0.00 179.01 179.69 1b1b n HIS 106 N -4.42 0.00 -0.09 2.06 8.25 0.00 -4.03 115.22 116.99 1b1b n HIS 106 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1b1b n HIS 106 Cb 0.52 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.33 1b1b n HIS 106 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1b1b n VAL 107 N -1.30 0.00 -2.97 1.59 0.24 0.26 -5.04 118.33 111.11 1b1b n VAL 107 Ca 0.09 -0.45 -0.38 0.00 -2.04 0.00 0.00 64.34 61.56 1b1b n VAL 107 Cb 0.32 1.09 -0.06 0.00 -1.47 0.00 0.00 33.84 33.72 1b1b n VAL 107 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1b1b s MET 108 N -0.13 4.52 0.24 7.34 0.00 -0.08 -5.07 119.30 126.12 1b1b s MET 108 Ca 0.00 1.13 0.05 0.00 0.00 0.00 0.00 55.69 56.88 1b1b s MET 108 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 34.83 31.66 1b1b s MET 108 CO 0.00 0.50 0.33 -1.54 0.00 0.00 0.00 175.02 174.31 1b1b s SER 109 N -1.30 6.17 0.44 1.11 1.04 -1.26 -4.98 113.70 114.92 1b1b s SER 109 Ca 0.39 0.02 0.11 0.00 0.48 0.00 0.00 55.95 56.94 1b1b s SER 109 Cb -0.21 -1.78 0.96 0.00 0.10 0.00 0.00 66.02 65.09 1b1b s SER 109 CO 0.25 -0.06 2.04 -0.33 0.98 0.00 0.00 173.24 176.12 1b1b h GLU 110 N 1.28 0.27 -0.49 4.02 5.08 -1.98 0.11 114.58 122.85 1b1b h GLU 110 Ca -0.51 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 57.73 1b1b h GLU 110 Cb 1.23 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1b1b h GLU 110 CO 0.61 0.25 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.41 1b1b h ASP 111 N 0.27 0.88 -0.04 1.42 3.32 -1.98 -2.13 116.42 118.15 1b1b h ASP 111 Ca 0.07 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 1b1b h ASP 111 Cb 0.11 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1b1b h ASP 111 CO -0.00 0.99 -0.05 0.58 -1.72 0.00 0.00 179.24 179.04 1b1b h VAL 112 N 0.75 1.39 -0.52 -1.35 2.07 -1.70 -3.09 116.25 113.80 1b1b h VAL 112 Ca 0.14 -1.23 0.10 0.00 0.82 0.00 0.00 66.70 66.53 1b1b h VAL 112 Cb 0.56 2.11 -0.10 0.00 -1.52 0.00 0.00 31.29 32.34 1b1b h VAL 112 CO 0.03 0.33 -0.18 -0.33 0.02 0.00 0.00 177.57 177.44 1b1b h GLU 113 N -0.35 -0.06 -0.81 1.57 5.08 -0.76 -0.72 114.58 118.52 1b1b h GLU 113 Ca 0.01 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 1b1b h GLU 113 Cb 0.56 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 1b1b h GLU 113 CO 0.01 -0.04 0.45 0.00 -1.00 0.00 0.00 179.01 178.43 1b1b h ARG 114 N -0.06 0.72 -0.19 2.33 3.08 -1.43 0.51 114.38 119.34 1b1b h ARG 114 Ca 0.25 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 1b1b h ARG 114 Cb 0.44 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1b1b h ARG 114 CO -0.57 0.48 0.02 0.00 -1.07 0.00 0.00 179.97 178.83 1b1b h ARG 115 N 0.74 0.28 0.05 0.04 2.47 -1.10 -2.05 114.38 114.81 1b1b h ARG 115 Ca 0.40 -0.04 -0.25 0.00 -1.26 0.00 0.00 59.98 58.83 1b1b h ARG 115 Cb 0.40 -0.05 0.01 0.00 -1.65 0.00 0.00 29.97 28.68 1b1b h ARG 115 CO -0.27 0.28 -1.05 -0.07 0.56 0.00 0.00 179.97 179.42 1b1b h LEU 116 N 0.28 0.57 -1.88 3.04 3.38 0.88 0.38 115.31 121.96 1b1b h LEU 116 Ca 0.07 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 1b1b h LEU 116 Cb 0.15 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1b1b h LEU 116 CO 0.00 1.32 -0.10 0.58 0.09 0.00 0.00 178.44 180.33 1b1b h VAL 117 N 0.21 0.39 0.00 1.22 2.07 0.24 -0.39 116.25 119.98 1b1b h VAL 117 Ca -0.11 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1b1b h VAL 117 Cb 1.72 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1b1b h VAL 117 CO 0.18 0.09 0.00 0.29 0.02 0.00 0.00 177.57 178.16 1b1b n LYS 118 N -3.44 0.00 -0.35 1.57 5.02 -0.81 -4.57 118.16 115.59 1b1b n LYS 118 Ca -0.01 0.23 0.14 0.00 -2.02 0.00 0.00 58.31 56.65 1b1b n LYS 118 Cb 0.25 -0.72 0.35 0.00 -0.02 0.00 0.00 35.03 34.88 1b1b n LYS 118 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1b1b h VAL 119 N 0.00 0.68 -3.70 -0.18 -1.51 -0.29 -3.41 116.25 107.84 1b1b h VAL 119 Ca 0.00 -0.25 -0.51 0.00 -1.23 0.00 0.00 66.70 64.72 1b1b h VAL 119 Cb 0.00 -0.10 0.01 0.00 -2.13 0.00 0.00 31.29 29.07 1b1b h VAL 119 CO 0.00 0.13 0.46 -0.76 -1.23 0.00 0.00 177.57 176.17 1b1b s LEU 120 N -10.22 4.54 0.15 4.19 1.43 -0.16 -4.97 118.68 113.64 1b1b s LEU 120 Ca -0.11 2.16 -0.14 0.00 -1.03 0.00 0.00 54.13 55.01 1b1b s LEU 120 Cb 0.25 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.89 1b1b s LEU 120 CO 0.80 -0.13 1.68 -0.55 0.23 0.00 0.00 176.35 178.38 1b1b h ASN 121 N 4.36 0.72 -2.68 2.29 7.08 -1.86 -3.40 115.58 122.09 1b1b h ASN 121 Ca -0.46 -0.20 -0.60 0.00 -3.08 0.00 0.00 56.30 51.96 1b1b h ASN 121 Cb 1.21 -0.19 -0.40 0.00 -2.08 0.00 0.00 38.32 36.86 1b1b h ASN 121 CO 0.69 0.73 -0.77 -0.46 -2.08 0.00 0.00 177.43 175.54 1b1b n ASN 122 N -4.51 1.44 -3.58 6.14 2.04 -1.26 -5.00 115.26 110.54 1b1b n ASN 122 Ca 0.02 -2.84 -0.41 0.00 -0.44 0.00 0.00 54.58 50.90 1b1b n ASN 122 Cb 0.19 -0.66 -0.01 0.00 -2.53 0.00 0.00 39.78 36.77 1b1b n ASN 122 CO 0.00 0.00 0.00 -2.65 -0.44 0.00 0.00 177.26 174.17 1b1b n PRO 123 N 2.25 3.82 0.01 -0.53 -0.02 -1.26 -4.18 135.00 135.08 1b1b n PRO 123 Ca 0.25 -3.00 -0.01 0.00 -2.02 0.00 0.00 63.50 58.72 1b1b n PRO 123 Cb 0.42 -2.86 -0.00 0.00 -0.02 0.00 0.00 33.50 31.03 1b1b n PRO 123 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1b1b n THR 124 N 3.20 0.41 -4.48 3.45 -2.24 -1.26 -4.91 114.28 108.44 1b1b n THR 124 Ca 0.59 0.11 -0.23 0.00 -2.27 0.00 0.00 64.05 62.25 1b1b n THR 124 Cb 0.30 -1.54 -0.14 0.00 -2.10 0.00 0.00 70.33 66.85 1b1b n THR 124 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1b1b s THR 125 N -2.02 1.43 0.91 4.28 -4.23 -1.26 -1.21 115.64 113.53 1b1b s THR 125 Ca -0.01 -1.14 -0.12 0.00 -1.18 0.00 0.00 61.69 59.23 1b1b s THR 125 Cb 0.00 -1.27 0.14 0.00 1.34 0.00 0.00 72.50 72.71 1b1b s THR 125 CO 0.02 0.09 1.11 -0.94 -0.54 0.00 0.00 174.62 174.36 1b1b s SER 126 N -1.23 3.47 0.32 3.99 1.04 0.71 -4.87 113.70 117.14 1b1b s SER 126 Ca 0.05 1.20 0.09 0.00 0.48 0.00 0.00 55.95 57.77 1b1b s SER 126 Cb -0.08 -1.85 0.94 0.00 0.10 0.00 0.00 66.02 65.12 1b1b s SER 126 CO 0.02 -2.61 1.63 -0.65 0.98 0.00 0.00 173.24 172.62 1b1b h PRO 127 N -1.53 0.19 -1.31 4.02 0.11 -1.86 -1.28 132.00 130.34 1b1b h PRO 127 Ca -0.51 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.41 1b1b h PRO 127 Cb 1.31 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.29 1b1b h PRO 127 CO 0.59 0.12 0.23 1.19 -0.21 0.00 0.00 178.00 179.92 1b1b n PHE 128 N -5.20 0.95 0.00 0.65 3.01 -1.26 -4.85 117.46 110.75 1b1b n PHE 128 Ca 0.28 -1.22 0.00 0.00 1.01 0.00 0.00 57.45 57.52 1b1b n PHE 128 Cb 0.88 -0.61 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 1b1b n PHE 128 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1b1b n GLY 129 N 0.35 2.19 3.56 1.37 0.00 -0.48 -4.99 105.19 107.18 1b1b n GLY 129 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 1b1b n GLY 129 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b1b n ASN 130 N 0.67 0.84 -4.80 1.61 3.02 -1.26 -4.57 115.26 110.77 1b1b n ASN 130 Ca 0.00 1.15 -0.35 0.00 -0.03 0.00 0.00 54.58 55.35 1b1b n ASN 130 Cb 0.00 -1.24 -0.04 0.00 -0.61 0.00 0.00 39.78 37.89 1b1b n ASN 130 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1b1b s PRO 131 N -1.51 4.03 -0.73 3.52 0.04 -1.26 -0.21 135.00 138.89 1b1b s PRO 131 Ca 0.60 1.37 -0.19 0.00 0.04 0.00 0.00 61.00 62.81 1b1b s PRO 131 Cb -0.72 -2.29 0.11 0.00 0.04 0.00 0.00 34.50 31.64 1b1b s PRO 131 CO 0.59 -0.24 0.91 0.42 0.04 0.00 0.00 177.00 178.72 1b1b s ILE 132 N -1.89 4.72 0.62 0.56 1.01 -0.35 -4.78 121.20 121.08 1b1b s ILE 132 Ca 0.62 -1.11 -0.16 0.00 0.00 0.00 0.00 60.65 60.00 1b1b s ILE 132 Cb -0.17 -4.63 -0.02 0.00 0.01 0.00 0.00 42.46 37.65 1b1b s ILE 132 CO 0.21 -1.33 1.10 -2.16 0.00 0.00 0.00 174.94 172.76 1b1b s PRO 133 N 2.87 3.06 0.00 2.79 0.04 -1.26 -3.96 135.00 138.54 1b1b s PRO 133 Ca 0.21 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1b1b s PRO 133 Cb -0.15 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1b1b s PRO 133 CO 0.01 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.42 1b1b n GLY 134 N -0.55 3.05 0.20 0.56 0.00 -1.26 -4.35 105.19 102.83 1b1b n GLY 134 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.13 1b1b n GLY 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b1b n LEU 135 N 0.00 -0.27 0.17 0.99 4.77 -1.25 0.13 117.00 121.53 1b1b n LEU 135 Ca 0.00 0.91 -0.14 0.00 -0.03 0.00 0.00 56.01 56.75 1b1b n LEU 135 Cb 0.00 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 1b1b n LEU 135 CO 0.00 -0.84 0.76 -0.37 -1.33 0.00 0.00 177.39 175.61 1b1b h VAL 136 N 0.00 0.66 0.00 4.08 -1.51 -1.91 -1.92 116.25 115.65 1b1b h VAL 136 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.68 1b1b h VAL 136 Cb 0.35 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 1b1b h VAL 136 CO -0.53 0.00 0.00 -1.84 -1.23 0.00 0.00 177.57 173.97 1b1b n GLU 137 N -5.28 0.69 -0.11 5.19 0.00 0.35 -2.79 120.64 118.68 1b1b n GLU 137 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.86 1b1b n GLU 137 Cb 0.20 -1.08 -0.09 0.00 0.00 0.00 0.00 31.44 30.47 1b1b n GLU 137 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1b1b n LEU 138 N -0.58 1.90 0.00 -1.84 7.94 -0.08 -5.03 117.00 119.31 1b1b n LEU 138 Ca 0.03 0.41 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 1b1b n LEU 138 Cb 0.01 -0.87 0.00 0.00 0.53 0.00 0.00 43.42 43.09 1b1b n LEU 138 CO 0.02 0.23 0.00 0.61 -1.11 0.00 0.00 177.39 177.14 1b1b n GLY 139 N 1.39 0.69 0.00 -3.96 0.00 -1.12 -5.05 105.19 97.14 1b1b n GLY 139 Ca -0.35 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1b1b n GLY 139 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87