#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1c s ILE 2 N 0.00 2.00 -0.28 2.02 -1.09 -0.46 -1.16 121.20 122.23 2h1c s ILE 2 Ca 0.00 -1.22 -0.01 0.00 -2.23 0.00 0.00 60.65 57.19 2h1c s ILE 2 Cb 0.00 -1.69 0.05 0.00 -1.58 0.00 0.00 42.46 39.24 2h1c s ILE 2 CO 0.00 0.43 -0.05 -0.22 -1.23 0.00 0.00 174.94 173.87 2h1c s LEU 3 N -0.95 3.59 -0.10 2.97 2.96 -0.12 -0.07 118.68 126.97 2h1c s LEU 3 Ca 0.10 -1.20 -0.28 0.00 -0.22 0.00 0.00 54.13 52.53 2h1c s LEU 3 Cb -0.10 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 2h1c s LEU 3 CO 0.01 -0.21 0.92 -0.76 -1.32 0.00 0.00 176.35 174.99 2h1c s LEU 4 N 1.23 4.26 0.61 -0.68 1.43 -0.68 -1.32 118.68 123.53 2h1c s LEU 4 Ca -0.05 1.43 -0.10 0.00 -1.03 0.00 0.00 54.13 54.38 2h1c s LEU 4 Cb -0.19 -3.43 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 2h1c s LEU 4 CO -0.03 -0.36 1.01 -0.62 0.23 0.00 0.00 176.35 176.58 2h1c s ASP 5 N 1.06 6.15 0.28 2.29 2.15 -0.41 -4.65 116.67 123.54 2h1c s ASP 5 Ca 0.45 1.33 0.01 0.00 0.43 0.00 0.00 52.55 54.77 2h1c s ASP 5 Cb -0.18 -2.38 0.56 0.00 -0.30 0.00 0.00 42.92 40.62 2h1c s ASP 5 CO 0.19 -0.89 1.82 0.74 -0.17 0.00 0.00 175.17 176.86 2h1c h THR 6 N -0.29 0.87 0.00 1.71 2.02 -1.92 -2.09 112.91 113.21 2h1c h THR 6 Ca -0.44 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.42 2h1c h THR 6 Cb 1.20 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2h1c h THR 6 CO 0.62 0.17 0.00 -0.55 0.37 0.00 0.00 175.52 176.13 2h1c h ASN 7 N 0.91 0.00 0.01 4.18 7.08 -1.93 -1.74 115.58 124.08 2h1c h ASN 7 Ca 0.50 0.00 -0.17 0.00 -3.08 0.00 0.00 56.30 53.55 2h1c h ASN 7 Cb 0.55 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.76 2h1c h ASN 7 CO -0.29 0.00 -0.91 0.58 -2.08 0.00 0.00 177.43 174.73 2h1c h VAL 8 N 0.00 1.17 0.00 6.14 2.07 -1.66 -3.10 116.25 120.87 2h1c h VAL 8 Ca 0.00 -2.24 -0.03 0.00 0.82 0.00 0.00 66.70 65.25 2h1c h VAL 8 Cb 0.38 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2h1c h VAL 8 CO 0.00 0.42 -0.16 -0.29 0.02 0.00 0.00 177.57 177.57 2h1c h ILE 9 N -0.95 0.65 0.00 4.57 2.10 -1.49 -2.52 117.51 119.88 2h1c h ILE 9 Ca -0.25 -0.67 -0.04 0.00 1.08 0.00 0.00 64.86 64.99 2h1c h ILE 9 Cb 1.25 1.42 -0.01 0.00 -1.09 0.00 0.00 36.82 38.39 2h1c h ILE 9 CO -0.13 0.15 -0.24 0.28 -1.08 0.00 0.00 178.15 177.13 2h1c h SER 10 N 0.00 0.00 -0.44 2.19 0.02 -1.44 -3.37 113.55 110.51 2h1c h SER 10 Ca -0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2h1c h SER 10 Cb 0.41 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 2h1c h SER 10 CO 0.02 0.17 0.19 -0.08 -1.14 0.00 0.00 176.83 175.99 2h1c h GLU 11 N 0.00 0.38 0.00 3.45 4.57 -1.36 -2.18 114.58 119.44 2h1c h GLU 11 Ca -0.01 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2h1c h GLU 11 Cb 1.13 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 2h1c h GLU 11 CO 0.02 0.25 0.00 -1.35 -1.18 0.00 0.00 179.01 176.75 2h1c h PRO 12 N 0.39 0.00 -0.00 0.92 0.11 -1.75 -1.66 132.00 130.01 2h1c h PRO 12 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2h1c h PRO 12 Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 2h1c h PRO 12 CO -0.16 0.00 -0.13 1.28 -0.21 0.00 0.00 178.00 178.78 2h1c n LEU 13 N -2.78 0.23 -4.83 2.35 4.77 -0.82 -4.79 117.00 111.13 2h1c n LEU 13 Ca -0.02 0.23 -0.31 0.00 -0.03 0.00 0.00 56.01 55.88 2h1c n LEU 13 Cb 0.10 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 40.89 2h1c n LEU 13 CO 0.18 0.05 0.71 -0.13 -1.33 0.00 0.00 177.39 176.87 2h1c s ARG 14 N -2.78 3.22 0.20 3.23 0.52 -0.63 -4.97 118.95 117.74 2h1c s ARG 14 Ca 0.20 0.97 -0.11 0.00 -0.52 0.00 0.00 55.73 56.26 2h1c s ARG 14 Cb 0.19 -2.03 0.25 0.00 0.52 0.00 0.00 34.95 33.89 2h1c s ARG 14 CO 0.54 -0.88 1.70 -1.35 0.02 0.00 0.00 175.30 175.33 2h1c h PRO 15 N -0.28 0.21 -2.50 3.54 0.11 -1.90 -3.26 132.00 127.91 2h1c h PRO 15 Ca -0.45 -0.01 -0.60 0.00 0.11 0.00 0.00 66.00 65.05 2h1c h PRO 15 Cb 1.21 -0.05 -0.40 0.00 0.11 0.00 0.00 31.00 31.87 2h1c h PRO 15 CO 0.58 0.14 -0.79 1.04 -0.21 0.00 0.00 178.00 178.76 2h1c n GLN 16 N -5.16 1.30 -1.70 1.05 6.02 -1.26 -5.11 117.38 112.52 2h1c n GLN 16 Ca 0.07 -3.92 -0.35 0.00 -0.01 0.00 0.00 57.00 52.79 2h1c n GLN 16 Cb 0.30 -1.91 0.07 0.00 1.02 0.00 0.00 30.24 29.71 2h1c n GLN 16 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2h1c s PRO 17 N -1.18 2.53 -0.23 -1.09 0.04 -1.23 -4.92 135.00 128.92 2h1c s PRO 17 Ca 0.32 1.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 2h1c s PRO 17 Cb 0.06 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 2h1c s PRO 17 CO -0.14 -1.54 1.57 1.21 0.04 0.00 0.00 177.00 178.15 2h1c s ASN 18 N -1.88 6.42 0.43 6.66 3.84 -1.26 -4.88 114.94 124.27 2h1c s ASN 18 Ca 0.75 1.56 0.14 0.00 0.21 0.00 0.00 52.86 55.53 2h1c s ASN 18 Cb -0.29 -2.53 1.03 0.00 -0.55 0.00 0.00 41.25 38.90 2h1c s ASN 18 CO 0.40 -1.23 1.97 -0.33 -2.79 0.00 0.00 177.10 175.12 2h1c h GLU 19 N 10.50 0.40 -0.62 0.43 3.07 -2.00 -1.54 114.58 124.82 2h1c h GLU 19 Ca -0.33 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.45 2h1c h GLU 19 Cb 1.14 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.94 2h1c h GLU 19 CO 1.01 0.27 0.16 -0.09 -1.40 0.00 0.00 179.01 178.95 2h1c h ARG 20 N 0.42 0.97 -0.20 2.33 2.43 -1.90 -0.59 114.38 117.84 2h1c h ARG 20 Ca 0.29 -0.21 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 2h1c h ARG 20 Cb 0.58 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2h1c h ARG 20 CO -0.08 0.86 -0.37 0.28 -1.51 0.00 0.00 179.97 179.14 2h1c h VAL 21 N 0.93 1.33 -0.14 0.20 2.07 -1.44 -1.73 116.25 117.47 2h1c h VAL 21 Ca 0.20 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.12 2h1c h VAL 21 Cb 0.32 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2h1c h VAL 21 CO -0.00 0.49 0.09 0.58 0.02 0.00 0.00 177.57 178.75 2h1c h VAL 22 N 0.29 1.05 -0.82 2.57 2.07 -1.27 -1.04 116.25 119.09 2h1c h VAL 22 Ca 0.01 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2h1c h VAL 22 Cb 0.97 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 2h1c h VAL 22 CO 0.08 0.04 0.52 0.00 0.02 0.00 0.00 177.57 178.23 2h1c h ALA 23 N 1.04 1.09 -0.46 1.67 0.00 -1.09 -1.41 119.26 120.11 2h1c h ALA 23 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2h1c h ALA 23 Cb -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2h1c h ALA 23 CO -0.01 0.31 0.24 2.35 0.00 0.00 0.00 179.25 182.14 2h1c h TRP 24 N 0.98 0.64 -0.67 0.00 7.01 -0.99 -2.06 115.95 120.87 2h1c h TRP 24 Ca 0.34 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.33 2h1c h TRP 24 Cb 0.06 -0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 26.89 2h1c h TRP 24 CO -0.03 0.50 0.44 -0.07 -2.79 0.00 0.00 178.44 176.49 2h1c h LEU 25 N 0.60 0.73 -0.91 0.65 3.38 -0.62 -1.89 115.31 117.24 2h1c h LEU 25 Ca 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2h1c h LEU 25 Cb 0.08 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2h1c h LEU 25 CO -0.02 0.51 0.00 0.44 0.09 0.00 0.00 178.44 179.46 2h1c h ASP 26 N 0.85 0.00 0.54 -0.43 3.32 -0.59 -2.80 116.42 117.31 2h1c h ASP 26 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2h1c h ASP 26 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2h1c h ASP 26 CO -0.06 0.00 -0.40 -1.54 -1.72 0.00 0.00 179.24 175.51 2h1c n SER 27 N -2.48 0.47 -4.83 6.45 3.41 -0.71 -4.93 113.62 111.00 2h1c n SER 27 Ca 0.02 -0.21 -0.33 0.00 -0.26 0.00 0.00 58.87 58.09 2h1c n SER 27 Cb 0.25 0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.27 2h1c n SER 27 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2h1c s LEU 28 N -2.95 3.92 -0.27 1.04 1.43 -1.06 -5.03 118.68 115.77 2h1c s LEU 28 Ca 0.13 1.64 -0.20 0.00 -1.03 0.00 0.00 54.13 54.66 2h1c s LEU 28 Cb 0.18 -4.49 -0.02 0.00 0.03 0.00 0.00 46.19 41.89 2h1c s LEU 28 CO 0.66 -0.37 0.64 -0.63 0.23 0.00 0.00 176.35 176.87 2h1c s ILE 29 N -2.21 4.97 0.24 -0.59 1.09 -1.26 -4.96 121.20 118.48 2h1c s ILE 29 Ca 0.61 1.08 -0.06 0.00 -1.10 0.00 0.00 60.65 61.18 2h1c s ILE 29 Cb -0.09 -3.96 0.26 0.00 -1.06 0.00 0.00 42.46 37.61 2h1c s ILE 29 CO 0.15 -0.02 1.66 0.25 -0.10 0.00 0.00 174.94 176.88 2h1c h LEU 30 N 9.00 -0.19 -2.66 2.97 5.85 -1.95 -0.52 115.31 127.81 2h1c h LEU 30 Ca -0.27 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2h1c h LEU 30 Cb 1.12 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 2h1c h LEU 30 CO 0.78 -0.12 0.11 -0.33 -0.34 0.00 0.00 178.44 178.54 2h1c h GLU 31 N 0.17 0.00 -0.54 1.25 3.07 -1.93 -0.44 114.58 116.16 2h1c h GLU 31 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 2h1c h GLU 31 Cb 0.73 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2h1c h GLU 31 CO -0.60 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 176.76 2h1c n ASP 32 N -3.06 3.26 -4.36 1.42 8.00 -0.21 -4.89 116.55 116.72 2h1c n ASP 32 Ca -0.03 -1.98 -0.33 0.00 0.71 0.00 0.00 54.79 53.17 2h1c n ASP 32 Cb 0.17 -0.36 -0.14 0.00 -0.02 0.00 0.00 41.12 40.77 2h1c n ASP 32 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2h1c s VAL 33 N -1.28 3.03 0.31 2.53 1.01 -0.18 -1.35 120.40 124.48 2h1c s VAL 33 Ca 0.41 -0.66 0.11 0.00 0.00 0.00 0.00 61.98 61.83 2h1c s VAL 33 Cb 0.22 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 34.26 2h1c s VAL 33 CO 0.29 0.52 -0.14 -0.31 0.00 0.00 0.00 175.10 175.46 2h1c s TYR 34 N 0.47 2.37 0.01 5.22 1.51 0.89 -4.95 117.35 122.86 2h1c s TYR 34 Ca -0.09 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.59 2h1c s TYR 34 Cb -0.16 -1.21 -0.01 0.00 -0.11 0.00 0.00 41.96 40.47 2h1c s TYR 34 CO 0.04 0.64 -0.13 -0.51 -1.11 0.00 0.00 175.55 174.49 2h1c s LEU 35 N -3.57 2.07 0.31 -1.29 1.43 -0.62 -1.69 118.68 115.32 2h1c s LEU 35 Ca 0.31 -0.30 -0.19 0.00 -1.03 0.00 0.00 54.13 52.92 2h1c s LEU 35 Cb -0.01 -0.61 -0.09 0.00 0.03 0.00 0.00 46.19 45.51 2h1c s LEU 35 CO 0.16 0.11 0.80 -0.55 0.23 0.00 0.00 176.35 177.10 2h1c s SER 36 N -0.57 6.99 0.58 2.29 0.15 -1.26 0.04 113.70 121.92 2h1c s SER 36 Ca 0.03 1.49 0.27 0.00 0.70 0.00 0.00 55.95 58.45 2h1c s SER 36 Cb -0.06 -2.45 1.70 0.00 -1.71 0.00 0.00 66.02 63.50 2h1c s SER 36 CO 0.00 -0.13 2.21 0.00 1.20 0.00 0.00 173.24 176.52 2h1c h ALA 37 N 2.74 1.67 -0.49 5.45 0.00 -1.21 -1.12 119.26 126.29 2h1c h ALA 37 Ca -0.48 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 2h1c h ALA 37 Cb 1.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2h1c h ALA 37 CO 0.64 -0.07 0.14 0.82 0.00 0.00 0.00 179.25 180.78 2h1c h ILE 38 N 0.00 1.23 -0.56 0.00 1.08 -1.92 -0.99 117.51 116.36 2h1c h ILE 38 Ca 0.02 -0.80 -0.11 0.00 -0.39 0.00 0.00 64.86 63.58 2h1c h ILE 38 Cb 0.12 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 2h1c h ILE 38 CO -0.00 0.29 -0.07 0.74 -0.69 0.00 0.00 178.15 178.42 2h1c h THR 39 N 0.67 1.27 -0.74 -0.27 2.02 -1.61 -1.52 112.91 112.72 2h1c h THR 39 Ca 0.16 -1.22 -0.05 0.00 0.77 0.00 0.00 66.41 66.07 2h1c h THR 39 Cb 0.30 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 2h1c h THR 39 CO -0.00 0.43 0.27 0.58 0.37 0.00 0.00 175.52 177.17 2h1c h VAL 40 N 0.92 1.25 -0.59 3.16 2.07 -1.20 0.88 116.25 122.74 2h1c h VAL 40 Ca 0.15 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 2h1c h VAL 40 Cb 0.63 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2h1c h VAL 40 CO 0.04 0.34 0.19 0.00 0.02 0.00 0.00 177.57 178.16 2h1c h ALA 41 N 1.20 0.77 -0.41 1.67 0.00 -0.85 -0.42 119.26 121.22 2h1c h ALA 41 Ca 0.24 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2h1c h ALA 41 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2h1c h ALA 41 CO -0.02 0.43 -0.24 0.93 0.00 0.00 0.00 179.25 180.35 2h1c h GLU 42 N 0.83 0.83 -0.16 0.00 5.08 -0.77 -0.40 114.58 120.00 2h1c h GLU 42 Ca 0.19 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2h1c h GLU 42 Cb 0.27 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2h1c h GLU 42 CO -0.01 0.98 0.05 -0.07 -1.00 0.00 0.00 179.01 178.97 2h1c h LEU 43 N 0.72 0.23 -1.13 1.33 3.38 -0.63 -0.74 115.31 118.48 2h1c h LEU 43 Ca 0.09 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2h1c h LEU 43 Cb 0.77 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2h1c h LEU 43 CO 0.06 0.37 0.34 0.03 0.09 0.00 0.00 178.44 179.33 2h1c h ARG 44 N 0.08 0.95 -0.34 1.13 3.08 -0.96 -1.77 114.38 116.56 2h1c h ARG 44 Ca 0.05 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 2h1c h ARG 44 Cb 0.22 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2h1c h ARG 44 CO -0.00 0.72 -0.09 1.25 -1.07 0.00 0.00 179.97 180.78 2h1c h LEU 45 N 0.95 0.68 -0.52 3.04 5.85 -0.89 -1.68 115.31 122.73 2h1c h LEU 45 Ca 0.24 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.63 2h1c h LEU 45 Cb 0.07 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2h1c h LEU 45 CO -0.03 0.89 0.28 1.23 -0.34 0.00 0.00 178.44 180.47 2h1c h GLY 46 N 0.46 0.74 0.97 3.75 0.00 -0.79 -1.50 103.07 106.70 2h1c h GLY 46 Ca 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 2h1c h GLY 46 CO 0.04 0.14 0.17 -2.08 0.00 0.00 0.00 176.54 174.80 2h1c h VAL 47 N 0.55 1.23 0.00 4.60 2.07 -1.23 -2.67 116.25 120.79 2h1c h VAL 47 Ca 0.23 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2h1c h VAL 47 Cb 0.11 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2h1c h VAL 47 CO -0.14 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.73 2h1c h ALA 48 N 1.02 1.00 -0.23 1.67 0.00 -0.61 -2.58 119.26 119.54 2h1c h ALA 48 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2h1c h ALA 48 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2h1c h ALA 48 CO -0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.52 2h1c n LEU 49 N -2.49 3.01 -4.77 0.00 4.77 -0.63 -4.97 117.00 111.92 2h1c n LEU 49 Ca 0.00 -1.20 -0.41 0.00 -0.03 0.00 0.00 56.01 54.38 2h1c n LEU 49 Cb 0.16 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 2h1c n LEU 49 CO 0.18 0.60 1.13 -0.76 -1.33 0.00 0.00 177.39 177.21 2h1c s LEU 50 N -1.68 4.34 0.42 2.23 1.43 -0.97 -4.91 118.68 119.53 2h1c s LEU 50 Ca 0.35 2.99 0.23 0.00 -1.03 0.00 0.00 54.13 56.67 2h1c s LEU 50 Cb 0.21 -3.66 0.47 0.00 0.03 0.00 0.00 46.19 43.24 2h1c s LEU 50 CO 0.31 -0.83 1.65 -0.07 0.23 0.00 0.00 176.35 177.63 2h1c h LEU 51 N 3.27 0.00 -8.53 1.79 3.38 -1.93 -3.43 115.31 109.85 2h1c h LEU 51 Ca -0.50 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.80 2h1c h LEU 51 Cb 1.24 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.82 2h1c h LEU 51 CO 0.66 0.13 0.02 0.21 0.09 0.00 0.00 178.44 179.55 2h1c s ASN 52 N -6.19 6.27 0.18 -0.43 3.84 -1.26 -4.97 114.94 112.37 2h1c s ASN 52 Ca 0.05 -0.55 -0.14 0.00 0.21 0.00 0.00 52.86 52.43 2h1c s ASN 52 Cb 0.07 -2.29 0.14 0.00 -0.55 0.00 0.00 41.25 38.62 2h1c s ASN 52 CO 0.67 -0.75 1.73 1.23 -2.79 0.00 0.00 177.10 177.19 2h1c h GLY 53 N 9.53 0.56 0.87 1.21 0.00 -2.00 -0.51 103.07 112.73 2h1c h GLY 53 Ca -0.26 -0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.03 2h1c h GLY 53 CO 0.88 -0.02 0.03 0.50 0.00 0.00 0.00 176.54 177.93 2h1c h LYS 54 N 0.27 0.09 -0.55 4.80 1.79 -1.98 -1.30 116.57 119.67 2h1c h LYS 54 Ca 0.22 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 2h1c h LYS 54 Cb 0.25 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 2h1c h LYS 54 CO -0.26 0.06 0.36 -0.22 -1.08 0.00 0.00 179.45 178.30 2h1c h LYS 55 N 0.09 0.73 -0.38 3.15 1.63 -1.92 -2.00 116.57 117.89 2h1c h LYS 55 Ca 0.06 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.83 2h1c h LYS 55 Cb 0.05 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.49 2h1c h LYS 55 CO -0.07 0.50 0.21 -0.22 -3.45 0.00 0.00 179.45 176.42 2h1c h LYS 56 N 0.75 0.41 -0.27 1.90 3.64 -0.80 0.59 116.57 122.78 2h1c h LYS 56 Ca 0.20 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2h1c h LYS 56 Cb -0.06 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 2h1c h LYS 56 CO -0.04 0.27 0.15 -0.91 -2.27 0.00 0.00 179.45 176.65 2h1c h ASN 57 N 0.42 0.34 -0.21 4.20 4.21 -0.98 0.97 115.58 124.52 2h1c h ASN 57 Ca 0.15 -0.08 -0.02 0.00 1.21 0.00 0.00 56.30 57.57 2h1c h ASN 57 Cb 0.03 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 2h1c h ASN 57 CO -0.09 0.32 0.07 0.58 -1.29 0.00 0.00 177.43 177.02 2h1c h VAL 58 N 0.33 1.19 -0.17 2.81 2.07 -1.17 -2.29 116.25 119.02 2h1c h VAL 58 Ca 0.10 -0.58 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 2h1c h VAL 58 Cb 0.05 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2h1c h VAL 58 CO -0.02 0.19 -0.22 0.25 0.02 0.00 0.00 177.57 177.79 2h1c h LEU 59 N 0.17 0.30 -0.32 2.57 5.85 -0.75 -1.12 115.31 122.02 2h1c h LEU 59 Ca 0.07 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2h1c h LEU 59 Cb 0.22 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2h1c h LEU 59 CO -0.00 0.53 0.15 -0.74 -0.34 0.00 0.00 178.44 178.04 2h1c h HIS 60 N 0.28 0.46 -0.29 1.25 2.76 -0.67 0.18 115.15 119.12 2h1c h HIS 60 Ca 0.05 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2h1c h HIS 60 Cb 0.55 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 2h1c h HIS 60 CO 0.01 0.42 0.18 1.49 -1.30 0.00 0.00 177.93 178.74 2h1c h GLU 61 N 0.37 0.37 -0.63 5.26 4.57 -0.98 -1.27 114.58 122.26 2h1c h GLU 61 Ca 0.11 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.18 2h1c h GLU 61 Cb 0.14 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 2h1c h GLU 61 CO -0.01 0.24 0.07 0.00 -1.18 0.00 0.00 179.01 178.13 2h1c h ARG 62 N 0.38 1.07 0.17 1.92 2.47 -0.95 0.74 114.38 120.18 2h1c h ARG 62 Ca 0.11 -0.31 -0.01 0.00 -1.26 0.00 0.00 59.98 58.51 2h1c h ARG 62 Cb -0.03 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.18 2h1c h ARG 62 CO -0.04 1.01 -0.08 1.25 0.56 0.00 0.00 179.97 182.67 2h1c h LEU 63 N 0.98 -0.20 -0.25 3.04 5.85 -0.38 0.74 115.31 125.09 2h1c h LEU 63 Ca 0.19 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 2h1c h LEU 63 Cb 0.48 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 2h1c h LEU 63 CO 0.02 -0.05 -0.39 -0.33 -0.34 0.00 0.00 178.44 177.34 2h1c h GLU 64 N -0.33 0.71 0.00 1.25 4.39 -1.18 -0.08 114.58 119.35 2h1c h GLU 64 Ca -0.02 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2h1c h GLU 64 Cb 0.26 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2h1c h GLU 64 CO 0.04 1.05 -1.19 1.04 -1.16 0.00 0.00 179.01 178.79 2h1c n GLN 65 N -4.20 0.31 0.00 2.33 1.13 0.25 -4.39 117.38 112.81 2h1c n GLN 65 Ca -0.05 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 2h1c n GLN 65 Cb 0.53 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 29.32 2h1c n GLN 65 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2h1c n SER 66 N -1.94 3.43 -0.06 1.08 7.64 -0.02 -4.78 113.62 118.96 2h1c n SER 66 Ca 0.01 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.85 2h1c n SER 66 Cb 0.44 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 2h1c n SER 66 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2h1c h ILE 67 N 0.00 0.26 -0.55 0.44 2.04 -0.82 -3.38 117.51 115.50 2h1c h ILE 67 Ca 0.00 -1.23 0.07 0.00 1.00 0.00 0.00 64.86 64.70 2h1c h ILE 67 Cb 0.89 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 2h1c h ILE 67 CO 0.00 0.09 0.37 -0.07 0.00 0.00 0.00 178.15 178.54 2h1c h LEU 68 N -1.00 0.41 -2.41 1.44 3.38 -1.24 -1.22 115.31 114.67 2h1c h LEU 68 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2h1c h LEU 68 Cb 0.37 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2h1c h LEU 68 CO -0.02 0.26 -0.02 -0.65 0.09 0.00 0.00 178.44 178.10 2h1c h PRO 69 N 0.46 0.00 0.00 1.13 0.11 -1.77 0.17 132.00 132.11 2h1c h PRO 69 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 2h1c h PRO 69 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 2h1c h PRO 69 CO -0.07 0.02 0.00 -0.07 -0.21 0.00 0.00 178.00 177.68 2h1c h LEU 70 N 0.00 0.00 -3.18 2.35 3.38 -1.39 -2.53 115.31 113.94 2h1c h LEU 70 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2h1c h LEU 70 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2h1c h LEU 70 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 2h1c n PHE 71 N -2.98 0.73 -1.66 1.13 3.01 0.58 -4.94 117.46 113.34 2h1c n PHE 71 Ca -0.01 -0.85 -0.48 0.00 1.01 0.00 0.00 57.45 57.12 2h1c n PHE 71 Cb 0.17 -0.25 -0.05 0.00 -0.01 0.00 0.00 39.48 39.33 2h1c n PHE 71 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2h1c n ALA 72 N -0.54 0.78 -0.82 4.37 0.00 -0.96 -0.05 120.51 123.30 2h1c n ALA 72 Ca 0.19 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2h1c n ALA 72 Cb 0.79 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.92 2h1c n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h1c n GLY 73 N 3.44 1.28 0.89 0.00 0.00 -1.26 -4.85 105.19 104.70 2h1c n GLY 73 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.26 2h1c n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h1c n ARG 74 N -2.00 0.85 -3.50 1.61 1.74 0.93 -4.95 116.66 111.34 2h1c n ARG 74 Ca 0.00 -2.59 -0.42 0.00 -0.77 0.00 0.00 57.85 54.06 2h1c n ARG 74 Cb 0.00 -0.92 -0.09 0.00 -1.02 0.00 0.00 32.46 30.43 2h1c n ARG 74 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2h1c s ILE 75 N -1.76 4.83 -0.12 0.55 1.01 -1.21 -1.59 121.20 122.92 2h1c s ILE 75 Ca 0.33 -1.03 -0.26 0.00 0.00 0.00 0.00 60.65 59.70 2h1c s ILE 75 Cb 0.34 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 2h1c s ILE 75 CO -0.09 -0.43 0.85 -0.76 0.00 0.00 0.00 174.94 174.50 2h1c s LEU 76 N 1.57 4.24 0.64 2.97 1.43 0.11 -4.76 118.68 124.87 2h1c s LEU 76 Ca 0.03 1.29 -0.11 0.00 -1.03 0.00 0.00 54.13 54.31 2h1c s LEU 76 Cb -0.22 -3.29 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 2h1c s LEU 76 CO 0.06 -0.33 1.04 -2.16 0.23 0.00 0.00 176.35 175.19 2h1c s PRO 77 N 1.71 3.47 -0.57 1.29 0.04 -1.26 -0.70 135.00 138.97 2h1c s PRO 77 Ca 0.41 0.77 -0.18 0.00 0.04 0.00 0.00 61.00 62.04 2h1c s PRO 77 Cb -0.18 -2.06 0.11 0.00 0.04 0.00 0.00 34.50 32.41 2h1c s PRO 77 CO 0.16 -0.67 0.64 0.12 0.04 0.00 0.00 177.00 177.30 2h1c s PHE 78 N -3.16 3.07 0.07 0.56 5.36 -1.26 -4.89 117.98 117.72 2h1c s PHE 78 Ca 0.56 -1.03 0.00 0.00 -0.96 0.00 0.00 56.93 55.50 2h1c s PHE 78 Cb -0.11 -3.93 0.00 0.00 -0.34 0.00 0.00 43.02 38.64 2h1c s PHE 78 CO 0.54 -1.21 0.03 -0.40 -1.46 0.00 0.00 175.22 172.72 2h1c n ASP 79 N 6.03 1.65 -0.19 6.13 5.68 -1.26 -4.95 116.55 129.64 2h1c n ASP 79 Ca -0.11 -1.28 -0.01 0.00 -0.50 0.00 0.00 54.79 52.90 2h1c n ASP 79 Cb 0.42 0.02 0.09 0.00 -1.14 0.00 0.00 41.12 40.51 2h1c n ASP 79 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2h1c h GLU 80 N 0.00 0.37 -0.86 0.11 4.22 -1.99 -0.65 114.58 115.78 2h1c h GLU 80 Ca -0.05 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.34 2h1c h GLU 80 Cb 0.17 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 2h1c h GLU 80 CO 0.08 0.25 0.42 -1.35 -2.18 0.00 0.00 179.01 176.23 2h1c h PRO 81 N 0.38 1.24 -0.32 0.92 0.11 -1.99 -2.30 132.00 130.04 2h1c h PRO 81 Ca 0.29 -0.18 -0.10 0.00 0.11 0.00 0.00 66.00 66.12 2h1c h PRO 81 Cb 0.34 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 2h1c h PRO 81 CO -0.29 0.94 -0.21 0.28 -0.21 0.00 0.00 178.00 178.51 2h1c h VAL 82 N 1.23 1.26 -0.85 3.15 2.07 -1.79 -2.67 116.25 118.65 2h1c h VAL 82 Ca 0.30 -1.25 0.01 0.00 0.82 0.00 0.00 66.70 66.57 2h1c h VAL 82 Cb 0.10 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2h1c h VAL 82 CO -0.04 0.41 0.56 0.00 0.02 0.00 0.00 177.57 178.52 2h1c h ALA 83 N 1.24 1.38 -0.38 1.67 0.00 -0.58 0.53 119.26 123.12 2h1c h ALA 83 Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2h1c h ALA 83 Cb 0.66 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2h1c h ALA 83 CO 0.05 0.57 0.15 0.00 0.00 0.00 0.00 179.25 180.02 2h1c h ALA 84 N 1.46 0.49 -0.58 0.00 0.00 -1.12 -2.29 119.26 117.22 2h1c h ALA 84 Ca 0.31 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2h1c h ALA 84 Cb -0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2h1c h ALA 84 CO -0.07 0.09 0.07 0.82 0.00 0.00 0.00 179.25 180.17 2h1c h ILE 85 N 0.47 1.25 0.00 0.00 2.04 -1.26 -2.46 117.51 117.55 2h1c h ILE 85 Ca 0.13 -1.00 0.02 0.00 1.00 0.00 0.00 64.86 65.01 2h1c h ILE 85 Cb 0.19 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2h1c h ILE 85 CO -0.01 0.36 -0.15 0.22 0.00 0.00 0.00 178.15 178.58 2h1c h TYR 86 N 0.89 -0.38 -0.85 1.37 3.20 -0.63 -0.01 116.97 120.56 2h1c h TYR 86 Ca 0.18 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 2h1c h TYR 86 Cb 0.43 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.83 2h1c h TYR 86 CO 0.03 -0.22 0.49 0.00 -1.64 0.00 0.00 178.16 176.82 2h1c h ALA 87 N 0.69 1.09 0.31 1.82 0.00 -1.31 -0.81 119.26 121.05 2h1c h ALA 87 Ca 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2h1c h ALA 87 Cb 0.31 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2h1c h ALA 87 CO -0.14 0.58 -0.15 1.96 0.00 0.00 0.00 179.25 181.50 2h1c h GLN 88 N 1.18 -0.40 -0.00 0.00 4.20 -1.00 -1.26 115.11 117.83 2h1c h GLN 88 Ca 0.30 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.04 2h1c h GLN 88 Cb -0.01 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2h1c h GLN 88 CO -0.05 -0.25 0.00 0.82 -0.67 0.00 0.00 178.83 178.68 2h1c h ILE 89 N -0.44 1.02 -0.50 2.54 2.04 -0.81 -1.30 117.51 120.06 2h1c h ILE 89 Ca -0.04 -0.07 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 2h1c h ILE 89 Cb 0.34 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2h1c h ILE 89 CO 0.07 0.02 -0.08 0.03 0.00 0.00 0.00 178.15 178.19 2h1c h ARG 90 N -0.03 0.91 -0.32 2.37 3.08 -1.17 -1.84 114.38 117.39 2h1c h ARG 90 Ca 0.00 -0.30 -0.09 0.00 0.07 0.00 0.00 59.98 59.66 2h1c h ARG 90 Cb 0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2h1c h ARG 90 CO -0.00 0.95 -0.15 0.66 -1.07 0.00 0.00 179.97 180.36 2h1c h SER 91 N 0.82 0.68 -0.48 7.04 4.64 -1.18 -1.59 113.55 123.48 2h1c h SER 91 Ca 0.14 -0.40 0.02 0.00 -0.47 0.00 0.00 61.79 61.07 2h1c h SER 91 Cb 0.59 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 2h1c h SER 91 CO 0.04 0.93 0.30 0.22 -0.87 0.00 0.00 176.83 177.45 2h1c h TYR 92 N 0.42 0.57 -0.45 4.77 3.20 -1.15 0.12 116.97 124.44 2h1c h TYR 92 Ca 0.07 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 2h1c h TYR 92 Cb 0.67 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 2h1c h TYR 92 CO 0.06 0.34 0.28 0.00 -1.64 0.00 0.00 178.16 177.20 2h1c h ALA 93 N 1.20 0.58 -0.49 1.82 0.00 -1.25 -2.34 119.26 118.77 2h1c h ALA 93 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2h1c h ALA 93 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2h1c h ALA 93 CO -0.07 0.05 0.25 -0.22 0.00 0.00 0.00 179.25 179.27 2h1c h LYS 94 N 0.61 0.70 0.00 0.00 1.63 -0.67 0.35 116.57 119.19 2h1c h LYS 94 Ca 0.16 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2h1c h LYS 94 Cb -0.03 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.47 2h1c h LYS 94 CO -0.03 0.57 0.00 0.25 -3.45 0.00 0.00 179.45 176.79 2h1c n THR 95 N -4.63 0.02 -1.38 1.00 -2.24 0.36 -2.78 114.28 104.63 2h1c n THR 95 Ca 0.02 0.01 0.07 0.00 -2.27 0.00 0.00 64.05 61.88 2h1c n THR 95 Cb 0.10 -0.64 0.11 0.00 -2.10 0.00 0.00 70.33 67.80 2h1c n THR 95 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2h1c n HIS 96 N -1.02 0.00 -1.76 4.78 8.25 -0.80 -5.00 115.22 119.66 2h1c n HIS 96 Ca 0.17 -0.79 -0.17 0.00 -0.26 0.00 0.00 57.72 56.67 2h1c n HIS 96 Cb 0.09 -0.13 -0.05 0.00 1.12 0.00 0.00 29.99 31.01 2h1c n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2h1c n GLY 97 N -1.01 1.08 3.92 -1.41 0.00 -0.93 -5.00 105.19 101.83 2h1c n GLY 97 Ca 0.12 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 2h1c n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h1c s LYS 98 N -3.90 3.35 -0.18 1.61 1.02 0.12 -5.02 119.74 116.75 2h1c s LYS 98 Ca 0.00 -0.63 -0.02 0.00 0.02 0.00 0.00 55.97 55.34 2h1c s LYS 98 Cb 0.00 -2.92 -0.01 0.00 -0.52 0.00 0.00 37.83 34.38 2h1c s LYS 98 CO 0.00 0.52 -0.08 -1.83 -0.92 0.00 0.00 175.35 173.05 2h1c s GLU 99 N -3.15 3.40 -0.11 1.68 -1.05 -1.26 -3.90 118.70 114.31 2h1c s GLU 99 Ca 0.34 -0.64 -0.04 0.00 -0.15 0.00 0.00 54.97 54.49 2h1c s GLU 99 Cb -0.11 -2.85 0.05 0.00 -0.44 0.00 0.00 34.13 30.78 2h1c s GLU 99 CO 0.28 0.00 0.15 0.42 0.95 0.00 0.00 175.26 177.06 2h1c s ILE 100 N 0.93 -0.23 0.64 1.83 1.01 -1.26 -4.34 121.20 119.78 2h1c s ILE 100 Ca -0.01 0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.75 2h1c s ILE 100 Cb -0.15 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.92 2h1c s ILE 100 CO 0.00 0.04 1.04 0.00 0.00 0.00 0.00 174.94 176.02 2h1c s ALA 101 N 2.26 2.93 0.14 9.38 0.00 -1.26 -4.84 121.76 130.37 2h1c s ALA 101 Ca 0.04 0.02 -0.22 0.00 0.00 0.00 0.00 51.96 51.80 2h1c s ALA 101 Cb -0.13 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.87 2h1c s ALA 101 CO -0.07 -0.85 1.65 0.00 0.00 0.00 0.00 175.76 176.49 2h1c h ALA 102 N -0.32 -0.09 -0.45 0.00 0.00 -2.01 0.86 119.26 117.25 2h1c h ALA 102 Ca -0.44 0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.62 2h1c h ALA 102 Cb 1.20 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 19.32 2h1c h ALA 102 CO 0.60 -0.63 -0.01 0.00 0.00 0.00 0.00 179.25 179.20 2h1c h ALA 103 N 0.84 0.41 -0.23 0.00 0.00 -2.00 0.33 119.26 118.60 2h1c h ALA 103 Ca 0.12 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 2h1c h ALA 103 Cb 0.40 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2h1c h ALA 103 CO -0.32 -0.40 -0.35 -0.44 0.00 0.00 0.00 179.25 177.75 2h1c h ASP 104 N 0.10 0.53 -0.94 0.00 3.45 -1.88 -2.84 116.42 114.83 2h1c h ASP 104 Ca 0.22 -0.21 -0.00 0.00 0.43 0.00 0.00 57.03 57.47 2h1c h ASP 104 Cb 0.33 -0.15 -0.05 0.00 -0.56 0.00 0.00 39.33 38.91 2h1c h ASP 104 CO -0.38 0.84 0.58 1.23 -1.57 0.00 0.00 179.24 179.94 2h1c h GLY 105 N 1.07 1.36 0.98 2.75 0.00 0.63 0.26 103.07 110.13 2h1c h GLY 105 Ca 0.05 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 2h1c h GLY 105 CO 0.07 0.54 0.28 -0.97 0.00 0.00 0.00 176.54 176.46 2h1c h TYR 106 N 1.30 0.70 -0.25 5.60 0.99 -0.76 -0.92 116.97 123.63 2h1c h TYR 106 Ca 0.34 -0.02 -0.05 0.00 2.00 0.00 0.00 58.73 61.01 2h1c h TYR 106 Cb -0.07 -0.22 -0.01 0.00 1.00 0.00 0.00 36.73 37.43 2h1c h TYR 106 CO 0.00 0.51 -0.04 0.82 -0.00 0.00 0.00 178.16 179.46 2h1c h ILE 107 N 0.68 1.27 -0.79 -2.88 2.04 -1.39 -2.15 117.51 114.29 2h1c h ILE 107 Ca 0.18 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 2h1c h ILE 107 Cb 0.04 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 2h1c h ILE 107 CO -0.03 0.31 0.47 0.00 0.00 0.00 0.00 178.15 178.90 2h1c h ALA 108 N 0.78 1.01 -0.41 1.87 0.00 -0.79 -1.58 119.26 120.14 2h1c h ALA 108 Ca 0.07 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2h1c h ALA 108 Cb 0.48 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2h1c h ALA 108 CO 0.02 0.49 -0.09 0.00 0.00 0.00 0.00 179.25 179.66 2h1c h ALA 109 N 1.25 1.07 -0.37 0.00 0.00 -1.11 -0.97 119.26 119.13 2h1c h ALA 109 Ca 0.28 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2h1c h ALA 109 Cb -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2h1c h ALA 109 CO -0.05 0.57 0.11 1.15 0.00 0.00 0.00 179.25 181.03 2h1c h THR 110 N 0.65 1.22 -0.40 0.00 2.02 -0.93 -1.11 112.91 114.35 2h1c h THR 110 Ca 0.12 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 2h1c h THR 110 Cb 0.54 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2h1c h THR 110 CO 0.03 0.25 0.15 0.00 0.37 0.00 0.00 175.52 176.32 2h1c h ALA 111 N 0.95 0.51 -0.62 6.16 0.00 -1.01 -2.29 119.26 122.97 2h1c h ALA 111 Ca 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2h1c h ALA 111 Cb 0.27 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2h1c h ALA 111 CO -0.00 0.13 0.26 -0.22 0.00 0.00 0.00 179.25 179.41 2h1c h LYS 112 N 0.49 0.93 -0.47 0.00 3.64 -1.08 0.17 116.57 120.26 2h1c h LYS 112 Ca 0.13 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2h1c h LYS 112 Cb 0.20 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2h1c h LYS 112 CO -0.01 0.78 0.31 0.37 -2.27 0.00 0.00 179.45 178.62 2h1c h GLN 113 N 0.87 0.61 -0.51 1.90 -0.00 -1.01 -2.72 115.11 114.26 2h1c h GLN 113 Ca 0.21 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.82 2h1c h GLN 113 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 27.53 2h1c h GLN 113 CO -0.02 0.41 0.00 0.72 0.00 0.00 0.00 178.83 179.94 2h1c n HIS 114 N -4.46 0.67 -3.56 3.99 8.25 -0.88 -4.98 115.22 114.25 2h1c n HIS 114 Ca 0.04 -0.43 -0.22 0.00 -0.26 0.00 0.00 57.72 56.85 2h1c n HIS 114 Cb 0.06 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 31.24 2h1c n HIS 114 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2h1c n SER 115 N 1.19 -4.77 -4.76 0.41 7.64 0.17 -5.00 113.62 108.50 2h1c n SER 115 Ca 0.18 -0.58 -0.25 0.00 1.01 0.00 0.00 58.87 59.23 2h1c n SER 115 Cb 0.54 -5.01 -0.06 0.00 -1.01 0.00 0.00 64.21 58.67 2h1c n SER 115 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2h1c s LEU 116 N -6.98 3.64 -0.15 -3.43 1.43 0.35 -4.62 118.68 108.91 2h1c s LEU 116 Ca 0.38 -0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 53.09 2h1c s LEU 116 Cb -0.17 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 2h1c s LEU 116 CO 0.74 0.04 0.28 -0.89 0.23 0.00 0.00 176.35 176.75 2h1c s THR 117 N -1.88 5.31 -0.07 5.49 2.01 -0.31 -4.53 115.64 121.67 2h1c s THR 117 Ca 0.31 0.52 -0.25 0.00 0.31 0.00 0.00 61.69 62.57 2h1c s THR 117 Cb -0.09 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 2h1c s THR 117 CO 0.22 0.41 0.80 -0.69 -0.69 0.00 0.00 174.62 174.67 2h1c s VAL 118 N 0.31 4.97 -0.28 3.82 1.01 -0.33 -0.94 120.40 128.96 2h1c s VAL 118 Ca 0.16 1.64 -0.11 0.00 0.00 0.00 0.00 61.98 63.67 2h1c s VAL 118 Cb -0.13 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 2h1c s VAL 118 CO 0.04 0.19 0.20 0.00 0.00 0.00 0.00 175.10 175.53 2h1c s ALA 119 N 1.09 3.53 0.04 5.51 0.00 -0.44 0.02 121.76 131.50 2h1c s ALA 119 Ca 0.41 -1.07 -0.27 0.00 0.00 0.00 0.00 51.96 51.03 2h1c s ALA 119 Cb -0.18 -2.49 0.07 0.00 0.00 0.00 0.00 23.12 20.52 2h1c s ALA 119 CO 0.20 -0.55 0.68 -0.08 0.00 0.00 0.00 175.76 176.00 2h1c s THR 120 N 1.76 0.00 0.11 0.00 -1.32 -0.51 -1.29 115.64 114.39 2h1c s THR 120 Ca 0.08 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.59 2h1c s THR 120 Cb -0.16 -1.00 -0.23 0.00 -1.51 0.00 0.00 72.50 69.60 2h1c s THR 120 CO 0.11 0.00 1.25 -0.09 -2.21 0.00 0.00 174.62 173.68 2h1c h ARG 121 N 2.49 0.10 -3.78 7.08 2.43 -1.91 -3.35 114.38 117.45 2h1c h ARG 121 Ca -0.29 -0.16 -0.78 0.00 -0.81 0.00 0.00 59.98 57.94 2h1c h ARG 121 Cb 1.22 0.06 -0.27 0.00 -0.42 0.00 0.00 29.97 30.55 2h1c h ARG 121 CO 0.38 1.06 0.04 -0.51 -1.51 0.00 0.00 179.97 179.43 2h1c s ASP 122 N -6.86 6.56 0.22 -3.80 -0.00 -1.26 -4.90 116.67 106.62 2h1c s ASP 122 Ca -0.01 -2.76 0.26 0.00 -0.00 0.00 0.00 52.55 50.04 2h1c s ASP 122 Cb 0.09 -2.16 0.81 0.00 -0.00 0.00 0.00 42.92 41.66 2h1c s ASP 122 CO 0.84 -0.53 1.77 0.35 -0.00 0.00 0.00 175.17 177.60 2h1c n THR 123 N 3.84 0.62 -0.11 -1.27 -2.24 -1.26 -4.43 114.28 109.43 2h1c n THR 123 Ca 0.13 -0.27 -0.06 0.00 -2.27 0.00 0.00 64.05 61.58 2h1c n THR 123 Cb 0.45 -0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 68.03 2h1c n THR 123 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2h1c h GLY 124 N 4.42 -1.69 1.37 3.38 0.00 -1.97 -1.48 103.07 107.10 2h1c h GLY 124 Ca 0.00 0.88 0.03 0.00 0.00 0.00 0.00 47.33 48.23 2h1c h GLY 124 CO 0.00 -0.51 0.37 1.76 0.00 0.00 0.00 176.54 178.16 2h1c h SER 125 N -0.10 0.57 0.64 0.19 0.02 -1.77 -2.48 113.55 110.61 2h1c h SER 125 Ca 0.05 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.87 2h1c h SER 125 Cb 0.23 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 2h1c h SER 125 CO -0.32 0.40 -0.59 -0.26 -1.14 0.00 0.00 176.83 174.92 2h1c h PHE 126 N 0.66 0.00 -0.53 3.45 -1.00 -1.68 -1.93 116.94 115.92 2h1c h PHE 126 Ca 0.22 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.91 2h1c h PHE 126 Cb 0.05 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 2h1c h PHE 126 CO -0.00 0.59 -0.01 0.74 -1.61 0.00 0.00 178.31 178.01 2h1c h PHE 127 N 0.00 1.03 0.00 -0.55 0.04 -0.82 -2.28 116.94 114.37 2h1c h PHE 127 Ca -0.01 -0.18 -0.03 0.00 2.80 0.00 0.00 57.97 60.55 2h1c h PHE 127 Cb 1.06 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.94 2h1c h PHE 127 CO 0.00 0.95 -0.16 0.00 -0.60 0.00 0.00 178.31 178.50 2h1c h ALA 128 N 0.94 1.14 -0.00 2.45 0.00 -1.34 -1.36 119.26 121.09 2h1c h ALA 128 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2h1c h ALA 128 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2h1c h ALA 128 CO 0.03 0.20 -0.06 0.00 0.00 0.00 0.00 179.25 179.43 2h1c n ALA 129 N -2.24 2.68 -3.61 0.00 0.00 -0.75 -4.66 120.51 111.92 2h1c n ALA 129 Ca -0.01 -0.25 -0.24 0.00 0.00 0.00 0.00 53.44 52.94 2h1c n ALA 129 Cb 0.32 -1.38 0.08 0.00 0.00 0.00 0.00 19.45 18.47 2h1c n ALA 129 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2h1c n ASP 130 N -0.91 -6.10 -4.41 0.00 8.00 -0.51 -4.96 116.55 107.66 2h1c n ASP 130 Ca 0.17 -0.56 -0.31 0.00 0.71 0.00 0.00 54.79 54.80 2h1c n ASP 130 Cb 0.24 -4.96 -0.13 0.00 -0.02 0.00 0.00 41.12 36.24 2h1c n ASP 130 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2h1c s VAL 131 N -3.32 2.54 0.42 2.53 1.01 -1.02 -5.07 120.40 117.49 2h1c s VAL 131 Ca 0.57 -1.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.03 2h1c s VAL 131 Cb -0.25 -2.04 -0.09 0.00 0.00 0.00 0.00 36.38 34.00 2h1c s VAL 131 CO 0.74 0.35 1.39 0.00 0.00 0.00 0.00 175.10 177.58 2h1c s ALA 132 N -0.88 3.30 0.04 5.51 0.00 -1.26 -4.56 121.76 123.91 2h1c s ALA 132 Ca 0.13 1.41 -0.06 0.00 0.00 0.00 0.00 51.96 53.44 2h1c s ALA 132 Cb -0.10 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 2h1c s ALA 132 CO 0.04 -1.05 0.11 0.14 0.00 0.00 0.00 175.76 175.00 2h1c s VAL 133 N -1.21 0.13 -0.04 0.00 -7.23 -1.26 -1.18 120.40 109.61 2h1c s VAL 133 Ca 0.58 -1.09 -0.01 0.00 -1.81 0.00 0.00 61.98 59.65 2h1c s VAL 133 Cb -0.42 -0.93 0.03 0.00 0.56 0.00 0.00 36.38 35.63 2h1c s VAL 133 CO 0.55 -0.60 0.09 0.12 -0.31 0.00 0.00 175.10 174.95 2h1c s PHE 134 N -2.68 -0.07 -0.45 2.82 5.36 0.10 -4.88 117.98 118.19 2h1c s PHE 134 Ca -0.04 0.31 -0.12 0.00 -0.96 0.00 0.00 56.93 56.12 2h1c s PHE 134 Cb -0.01 -0.16 0.08 0.00 -0.34 0.00 0.00 43.02 42.59 2h1c s PHE 134 CO -0.05 -0.13 0.32 1.21 -1.46 0.00 0.00 175.22 175.12 2h1c s ASN 135 N 1.11 5.86 0.00 6.13 3.84 -1.25 -1.42 114.94 129.20 2h1c s ASN 135 Ca -0.09 -1.45 0.05 0.00 0.21 0.00 0.00 52.86 51.58 2h1c s ASN 135 Cb -0.12 -2.07 0.27 0.00 -0.55 0.00 0.00 41.25 38.77 2h1c s ASN 135 CO -0.04 -0.60 0.99 -0.81 -2.79 0.00 0.00 177.10 173.85 2h1c n PRO 136 N 5.04 0.08 0.06 0.43 -0.04 -1.26 -1.27 135.00 138.04 2h1c n PRO 136 Ca -0.11 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 2h1c n PRO 136 Cb 0.43 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.87 2h1c n PRO 136 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2h1c n TRP 137 N -1.27 0.47 -3.73 0.54 8.01 -1.26 -4.06 117.44 116.14 2h1c n TRP 137 Ca 0.03 0.15 -0.21 0.00 -1.31 0.00 0.00 57.50 56.15 2h1c n TRP 137 Cb 0.04 -0.74 -0.04 0.00 -2.01 0.00 0.00 31.31 28.56 2h1c n TRP 137 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 2h1c s HIS 138 N -3.08 2.75 -2.34 -5.99 3.76 -0.40 -4.99 115.29 104.99 2h1c s HIS 138 Ca 0.10 -0.44 0.29 0.00 -0.15 0.00 0.00 55.06 54.86 2h1c s HIS 138 Cb 0.14 -2.01 1.32 0.00 1.11 0.00 0.00 32.58 33.14 2h1c s HIS 138 CO 0.50 0.03 1.90 1.28 -0.85 0.00 0.00 174.74 177.59