#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m8c s ASN 2 N 0.00 4.24 0.22 3.17 0.01 -1.26 -5.04 114.94 116.28 3m8c s ASN 2 Ca 0.00 2.30 -0.12 0.00 -0.71 0.00 0.00 52.86 54.32 3m8c s ASN 2 Cb 0.00 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 39.00 3m8c s ASN 2 CO 0.00 -2.23 0.58 0.42 -1.51 0.00 0.00 177.10 174.36 3m8c s THR 3 N -2.07 4.86 0.42 1.60 -4.23 -1.26 -4.85 115.64 110.11 3m8c s THR 3 Ca 0.73 0.68 0.11 0.00 -1.18 0.00 0.00 61.69 62.03 3m8c s THR 3 Cb -0.28 -3.66 0.20 0.00 1.34 0.00 0.00 72.50 70.10 3m8c s THR 3 CO 0.46 0.02 1.99 -0.65 -0.54 0.00 0.00 174.62 175.89 3m8c h PRO 4 N 2.84 0.19 -0.46 3.99 0.11 -1.88 -2.25 132.00 134.54 3m8c h PRO 4 Ca -0.48 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 3m8c h PRO 4 Cb 1.18 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3m8c h PRO 4 CO 0.67 0.27 -0.00 0.93 -0.21 0.00 0.00 178.00 179.67 3m8c h GLU 5 N 0.18 0.80 -0.32 1.05 3.07 -1.96 -1.01 114.58 116.40 3m8c h GLU 5 Ca 0.04 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 58.63 3m8c h GLU 5 Cb 0.25 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3m8c h GLU 5 CO 0.01 0.86 0.16 1.25 -1.40 0.00 0.00 179.01 179.89 3m8c h HIS 6 N 0.65 0.45 -0.13 4.33 2.76 -1.90 -1.23 115.15 120.08 3m8c h HIS 6 Ca 0.13 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.20 3m8c h HIS 6 Cb 0.50 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 3m8c h HIS 6 CO 0.04 0.40 -0.26 0.52 -1.30 0.00 0.00 177.93 177.32 3m8c h MET 7 N 0.38 0.24 -0.17 5.26 2.86 -1.28 -0.69 114.93 121.54 3m8c h MET 7 Ca 0.11 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3m8c h MET 7 Cb 0.11 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 3m8c h MET 7 CO -0.01 0.50 -0.05 1.15 1.06 0.00 0.00 176.91 179.55 3m8c h THR 8 N 0.22 1.30 -0.71 2.22 2.02 -1.10 -1.49 112.91 115.37 3m8c h THR 8 Ca 0.03 -1.04 0.04 0.00 0.77 0.00 0.00 66.41 66.21 3m8c h THR 8 Cb 0.59 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 68.59 3m8c h THR 8 CO 0.04 0.31 0.43 0.00 0.37 0.00 0.00 175.52 176.67 3m8c h ALA 9 N 0.71 0.93 -0.43 6.16 0.00 -0.92 -0.63 119.26 125.08 3m8c h ALA 9 Ca 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3m8c h ALA 9 Cb 0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3m8c h ALA 9 CO 0.02 0.18 0.26 0.28 0.00 0.00 0.00 179.25 179.99 3m8c h VAL 10 N 0.82 1.13 -0.51 0.00 2.07 -0.91 0.10 116.25 118.95 3m8c h VAL 10 Ca 0.29 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3m8c h VAL 10 Cb 0.08 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3m8c h VAL 10 CO -0.13 0.13 0.32 0.58 0.02 0.00 0.00 177.57 178.49 3m8c h VAL 11 N 0.57 1.09 -0.83 2.57 2.07 -0.88 0.43 116.25 121.27 3m8c h VAL 11 Ca 0.16 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 3m8c h VAL 11 Cb -0.01 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 3m8c h VAL 11 CO -0.03 0.12 0.38 1.56 0.02 0.00 0.00 177.57 179.62 3m8c h GLN 12 N 0.65 1.21 -0.03 1.57 4.20 -0.76 -2.62 115.11 119.33 3m8c h GLN 12 Ca 0.20 -0.19 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 3m8c h GLN 12 Cb -0.02 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 3m8c h GLN 12 CO -0.07 0.94 -0.58 0.00 -0.67 0.00 0.00 178.83 178.46 3m8c h ARG 13 N 1.20 0.09 0.21 1.46 3.08 -0.59 -0.86 114.38 118.97 3m8c h ARG 13 Ca 0.28 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.29 3m8c h ARG 13 Cb 0.15 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3m8c h ARG 13 CO -0.03 0.64 -0.31 -0.92 -1.07 0.00 0.00 179.97 178.28 3m8c h TYR 14 N 0.07 -0.82 -0.29 3.04 3.20 -0.76 0.17 116.97 121.58 3m8c h TYR 14 Ca -0.00 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 3m8c h TYR 14 Cb 1.04 0.33 -0.04 0.00 1.54 0.00 0.00 36.73 39.60 3m8c h TYR 14 CO 0.01 -0.42 0.07 0.28 -1.64 0.00 0.00 178.16 176.45 3m8c h VAL 15 N -0.58 0.87 -0.88 1.81 2.07 -1.25 -1.10 116.25 117.20 3m8c h VAL 15 Ca 0.01 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3m8c h VAL 15 Cb 0.57 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3m8c h VAL 15 CO -0.12 0.03 0.48 0.00 0.02 0.00 0.00 177.57 177.98 3m8c h ALA 16 N 1.21 1.12 -0.18 1.67 0.00 -1.00 -1.08 119.26 121.00 3m8c h ALA 16 Ca 0.13 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3m8c h ALA 16 Cb 0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3m8c h ALA 16 CO -0.17 0.63 -0.35 0.00 0.00 0.00 0.00 179.25 179.36 3m8c h ALA 17 N 1.26 1.06 -0.20 0.00 0.00 -0.14 -1.11 119.26 120.13 3m8c h ALA 17 Ca 0.31 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3m8c h ALA 17 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3m8c h ALA 17 CO -0.05 0.59 0.07 -0.07 0.00 0.00 0.00 179.25 179.79 3m8c h LEU 18 N 0.33 0.29 -1.40 0.00 3.38 -0.73 0.83 115.31 118.01 3m8c h LEU 18 Ca 0.04 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.88 3m8c h LEU 18 Cb 0.78 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3m8c h LEU 18 CO 0.06 0.40 0.47 0.78 0.09 0.00 0.00 178.44 180.24 3m8c h ASN 19 N 0.16 0.64 0.04 -0.43 2.35 -0.88 -1.86 115.58 115.60 3m8c h ASN 19 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3m8c h ASN 19 Cb 0.21 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3m8c h ASN 19 CO -0.00 0.42 -0.04 0.00 -1.65 0.00 0.00 177.43 176.15 3m8c n ALA 20 N -2.45 2.66 -2.25 -0.83 0.00 -0.45 -4.85 120.51 112.34 3m8c n ALA 20 Ca 0.10 -0.42 -0.16 0.00 0.00 0.00 0.00 53.44 52.96 3m8c n ALA 20 Cb 0.23 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 3m8c n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m8c n GLY 21 N 1.19 -0.17 3.38 0.00 0.00 -0.70 -4.93 105.19 103.97 3m8c n GLY 21 Ca 0.18 -0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 3m8c n GLY 21 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3m8c n ASP 22 N -1.09 5.40 -0.18 1.61 2.03 0.23 -4.87 116.55 119.69 3m8c n ASP 22 Ca -0.19 -3.02 -0.01 0.00 0.52 0.00 0.00 54.79 52.09 3m8c n ASP 22 Cb 0.64 -1.47 0.08 0.00 -0.72 0.00 0.00 41.12 39.66 3m8c n ASP 22 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3m8c h LEU 23 N 8.04 -0.17 -0.77 -2.67 5.85 -1.92 -0.95 115.31 122.73 3m8c h LEU 23 Ca 0.25 0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.97 3m8c h LEU 23 Cb 0.86 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3m8c h LEU 23 CO 1.15 -0.06 -0.53 0.44 -0.34 0.00 0.00 178.44 179.09 3m8c h ASP 24 N 0.15 0.24 -0.49 1.25 3.45 -1.98 -2.26 116.42 116.79 3m8c h ASP 24 Ca 0.29 -0.12 0.04 0.00 0.43 0.00 0.00 57.03 57.66 3m8c h ASP 24 Cb 0.44 -0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 39.10 3m8c h ASP 24 CO -0.44 0.73 0.26 1.23 -1.57 0.00 0.00 179.24 179.45 3m8c h GLY 25 N 1.41 0.68 0.90 2.75 0.00 -1.75 0.39 103.07 107.44 3m8c h GLY 25 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3m8c h GLY 25 CO 0.08 0.13 0.03 -2.22 0.00 0.00 0.00 176.54 174.56 3m8c h ILE 26 N 0.51 1.10 -0.42 2.60 2.04 -0.97 -3.14 117.51 119.23 3m8c h ILE 26 Ca 0.21 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 3m8c h ILE 26 Cb 0.09 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3m8c h ILE 26 CO -0.13 0.08 0.14 0.58 0.00 0.00 0.00 178.15 178.82 3m8c h VAL 27 N -0.02 1.18 0.00 1.67 2.07 -1.16 -1.21 116.25 118.77 3m8c h VAL 27 Ca 0.02 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3m8c h VAL 27 Cb 0.11 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3m8c h VAL 27 CO -0.00 0.22 -0.03 0.00 0.02 0.00 0.00 177.57 177.77 3m8c h ALA 28 N 1.55 1.17 0.00 1.67 0.00 -0.87 -1.61 119.26 121.17 3m8c h ALA 28 Ca 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3m8c h ALA 28 Cb 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3m8c h ALA 28 CO -0.01 0.04 -0.21 -0.07 0.00 0.00 0.00 179.25 179.00 3m8c h LEU 29 N 0.00 0.00 -9.99 0.00 3.38 -1.23 -3.46 115.31 104.01 3m8c h LEU 29 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3m8c h LEU 29 Cb 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3m8c h LEU 29 CO 0.00 0.21 -0.19 -0.36 0.09 0.00 0.00 178.44 178.20 3m8c s PHE 30 N -4.08 3.45 0.73 1.13 0.40 -0.61 -1.14 117.98 117.86 3m8c s PHE 30 Ca -0.02 0.72 -0.12 0.00 -0.60 0.00 0.00 56.93 56.91 3m8c s PHE 30 Cb 0.13 -2.15 0.04 0.00 0.51 0.00 0.00 43.02 41.55 3m8c s PHE 30 CO 0.64 0.31 1.10 0.00 0.70 0.00 0.00 175.22 177.97 3m8c s ALA 31 N -1.81 2.32 0.41 5.36 0.00 0.66 -4.74 121.76 123.97 3m8c s ALA 31 Ca 0.45 0.38 0.08 0.00 0.00 0.00 0.00 51.96 52.86 3m8c s ALA 31 Cb -0.11 -3.29 0.86 0.00 0.00 0.00 0.00 23.12 20.57 3m8c s ALA 31 CO 0.24 -1.60 2.03 -0.44 0.00 0.00 0.00 175.76 175.99 3m8c h ASP 32 N -0.72 0.49 -0.75 0.00 3.32 -1.95 -2.53 116.42 114.28 3m8c h ASP 32 Ca -0.45 -0.01 -0.35 0.00 0.02 0.00 0.00 57.03 56.25 3m8c h ASP 32 Cb 1.24 -0.12 -0.21 0.00 0.22 0.00 0.00 39.33 40.46 3m8c h ASP 32 CO 0.52 0.34 0.36 -0.90 -1.72 0.00 0.00 179.24 177.85 3m8c n ASP 33 N -4.47 3.67 -4.65 6.45 5.75 -1.26 -3.03 116.55 119.01 3m8c n ASP 33 Ca 0.05 -3.54 -0.29 0.00 -0.01 0.00 0.00 54.79 50.99 3m8c n ASP 33 Cb 0.12 -0.76 0.18 0.00 -1.03 0.00 0.00 41.12 39.63 3m8c n ASP 33 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3m8c s ALA 34 N -3.20 0.93 0.09 2.12 0.00 -0.95 -4.61 121.76 116.14 3m8c s ALA 34 Ca 0.53 -0.10 0.07 0.00 0.00 0.00 0.00 51.96 52.46 3m8c s ALA 34 Cb 0.45 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 3m8c s ALA 34 CO 0.09 -2.85 -0.19 0.95 0.00 0.00 0.00 175.76 173.76 3m8c s THR 35 N -2.82 1.51 -0.09 0.00 -4.23 -0.43 -1.71 115.64 107.87 3m8c s THR 35 Ca 0.65 -1.46 0.04 0.00 -1.18 0.00 0.00 61.69 59.75 3m8c s THR 35 Cb -0.20 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.25 3m8c s THR 35 CO 0.59 -0.11 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.64 3m8c s VAL 36 N -1.19 1.93 -0.26 2.29 1.01 -0.31 -0.86 120.40 123.00 3m8c s VAL 36 Ca 0.04 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3m8c s VAL 36 Cb -0.10 -1.67 0.07 0.00 0.00 0.00 0.00 36.38 34.68 3m8c s VAL 36 CO 0.04 0.53 -0.06 -0.70 0.00 0.00 0.00 175.10 174.90 3m8c s GLU 37 N 0.30 1.88 -0.21 2.72 2.12 0.50 -0.13 118.70 125.87 3m8c s GLU 37 Ca -0.16 -1.28 -0.05 0.00 0.36 0.00 0.00 54.97 53.84 3m8c s GLU 37 Cb -0.17 -2.80 0.10 0.00 0.26 0.00 0.00 34.13 31.53 3m8c s GLU 37 CO 0.07 -0.64 0.40 0.34 -0.54 0.00 0.00 175.26 174.90 3m8c s ASP 38 N 1.19 -0.10 0.91 -1.70 -1.08 -1.26 -0.99 116.67 113.65 3m8c s ASP 38 Ca -0.05 0.74 -0.15 0.00 -0.52 0.00 0.00 52.55 52.58 3m8c s ASP 38 Cb -0.19 1.26 0.16 0.00 -1.46 0.00 0.00 42.92 42.69 3m8c s ASP 38 CO -0.06 -0.25 1.26 -2.16 0.52 0.00 0.00 175.17 174.47 3m8c s PRO 39 N 2.59 1.07 0.25 4.34 0.04 -1.26 -4.76 135.00 137.27 3m8c s PRO 39 Ca 0.03 -0.19 -0.30 0.00 0.04 0.00 0.00 61.00 60.58 3m8c s PRO 39 Cb -0.13 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.39 3m8c s PRO 39 CO -0.14 -2.16 1.14 0.28 0.04 0.00 0.00 177.00 176.17 3m8c n VAL 40 N -3.64 1.47 0.00 -0.36 0.31 -0.79 0.09 118.33 115.41 3m8c n VAL 40 Ca 0.12 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3m8c n VAL 40 Cb 0.60 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 3m8c n VAL 40 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3m8c n GLY 41 N 1.61 2.92 3.53 2.92 0.00 -1.26 -4.99 105.19 109.91 3m8c n GLY 41 Ca 0.11 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 3m8c n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3m8c n SER 42 N 0.49 -1.00 -4.67 1.61 7.64 0.11 -4.98 113.62 112.82 3m8c n SER 42 Ca 0.00 0.13 -0.42 0.00 1.01 0.00 0.00 58.87 59.59 3m8c n SER 42 Cb 0.00 -1.31 -0.03 0.00 -1.01 0.00 0.00 64.21 61.86 3m8c n SER 42 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3m8c s GLU 43 N -4.31 4.16 0.16 1.43 8.01 -1.26 -4.87 118.70 122.02 3m8c s GLU 43 Ca 0.65 2.46 -0.31 0.00 0.01 0.00 0.00 54.97 57.78 3m8c s GLU 43 Cb -0.23 -3.99 -0.09 0.00 -4.31 0.00 0.00 34.13 25.51 3m8c s GLU 43 CO 0.63 -0.89 1.46 -2.14 0.01 0.00 0.00 175.26 174.33 3m8c s PRO 44 N 3.96 4.28 0.04 0.39 0.02 -1.26 -4.74 135.00 137.69 3m8c s PRO 44 Ca 0.82 2.22 -0.20 0.00 0.02 0.00 0.00 61.00 63.86 3m8c s PRO 44 Cb -0.40 -3.18 -0.06 0.00 0.02 0.00 0.00 34.50 30.87 3m8c s PRO 44 CO 0.37 -0.48 0.57 1.03 -0.33 0.00 0.00 177.00 178.16 3m8c s ARG 45 N 0.74 4.24 -0.07 5.54 3.00 0.82 -4.90 118.95 128.32 3m8c s ARG 45 Ca 0.65 0.73 0.02 0.00 0.00 0.00 0.00 55.73 57.13 3m8c s ARG 45 Cb -0.40 -3.27 0.01 0.00 0.00 0.00 0.00 34.95 31.28 3m8c s ARG 45 CO 0.34 0.55 -0.13 0.45 0.00 0.00 0.00 175.30 176.50 3m8c s SER 46 N -0.79 1.91 0.00 0.23 0.15 -1.26 -1.16 113.70 112.78 3m8c s SER 46 Ca 0.30 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.62 3m8c s SER 46 Cb -0.19 -0.88 0.00 0.00 -1.71 0.00 0.00 66.02 63.24 3m8c s SER 46 CO 0.18 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.28 3m8c n GLY 47 N 3.78 -0.71 0.14 9.45 0.00 -0.69 -4.34 105.19 112.81 3m8c n GLY 47 Ca -0.22 -1.65 -0.07 0.00 0.00 0.00 0.00 46.02 44.07 3m8c n GLY 47 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3m8c h THR 48 N 0.00 0.92 0.06 2.61 2.02 -1.84 -0.98 112.91 115.70 3m8c h THR 48 Ca 0.00 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 3m8c h THR 48 Cb 0.00 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3m8c h THR 48 CO 0.00 0.04 -0.03 0.00 0.37 0.00 0.00 175.52 175.90 3m8c h ALA 49 N 1.19 -0.09 -0.62 6.16 0.00 -1.91 0.46 119.26 124.45 3m8c h ALA 49 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3m8c h ALA 49 Cb 0.10 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3m8c h ALA 49 CO -0.14 -0.54 0.28 0.00 0.00 0.00 0.00 179.25 178.85 3m8c h ALA 50 N 0.84 1.34 -0.18 0.00 0.00 -1.70 0.21 119.26 119.78 3m8c h ALA 50 Ca -0.01 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 3m8c h ALA 50 Cb 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3m8c h ALA 50 CO 0.01 0.51 -0.36 0.82 0.00 0.00 0.00 179.25 180.24 3m8c h ILE 51 N 0.87 1.34 -0.53 0.00 2.04 -0.57 -0.96 117.51 119.70 3m8c h ILE 51 Ca 0.21 -1.60 0.07 0.00 1.00 0.00 0.00 64.86 64.54 3m8c h ILE 51 Cb 0.11 1.92 -0.06 0.00 -0.74 0.00 0.00 36.82 38.06 3m8c h ILE 51 CO -0.03 0.49 0.19 0.03 0.00 0.00 0.00 178.15 178.84 3m8c h ARG 52 N 0.21 0.37 -0.35 2.37 3.08 0.33 -1.96 114.38 118.42 3m8c h ARG 52 Ca 0.01 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3m8c h ARG 52 Cb 0.96 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 3m8c h ARG 52 CO 0.08 0.24 0.15 1.49 -1.07 0.00 0.00 179.97 180.86 3m8c h GLU 53 N 0.38 0.51 -0.24 0.04 4.81 -0.66 0.69 114.58 120.10 3m8c h GLU 53 Ca 0.25 -0.09 0.06 0.00 -0.13 0.00 0.00 59.36 59.45 3m8c h GLU 53 Cb 0.28 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.51 3m8c h GLU 53 CO -0.25 0.49 -0.12 0.35 -0.73 0.00 0.00 179.01 178.74 3m8c h PHE 54 N 0.42 -0.28 -0.08 0.92 3.57 -0.95 -0.40 116.94 120.13 3m8c h PHE 54 Ca 0.12 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.48 3m8c h PHE 54 Cb 0.16 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3m8c h PHE 54 CO -0.01 -0.18 -0.68 1.88 -2.23 0.00 0.00 178.31 177.09 3m8c h TYR 55 N -0.09 0.46 -0.86 0.41 0.05 -1.10 -1.19 116.97 114.67 3m8c h TYR 55 Ca 0.13 -0.19 0.03 0.00 0.05 0.00 0.00 58.73 58.75 3m8c h TYR 55 Cb 0.28 -0.08 -0.05 0.00 1.01 0.00 0.00 36.73 37.90 3m8c h TYR 55 CO -0.29 0.92 0.55 0.00 -1.05 0.00 0.00 178.16 178.29 3m8c h ALA 56 N 1.03 1.13 -0.38 3.88 0.00 -0.41 -1.52 119.26 122.98 3m8c h ALA 56 Ca -0.02 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 3m8c h ALA 56 Cb 1.23 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3m8c h ALA 56 CO 0.11 0.40 -0.33 -0.91 0.00 0.00 0.00 179.25 178.52 3m8c h ASN 57 N 1.08 0.95 -0.60 0.00 2.35 -0.79 -2.86 115.58 115.71 3m8c h ASN 57 Ca 0.34 -0.45 0.09 0.00 -0.55 0.00 0.00 56.30 55.73 3m8c h ASN 57 Cb -0.00 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.07 3m8c h ASN 57 CO -0.11 1.20 0.40 0.28 -1.65 0.00 0.00 177.43 177.55 3m8c h SER 58 N 0.70 0.38 -0.12 5.81 0.02 -0.85 -2.47 113.55 117.03 3m8c h SER 58 Ca 0.07 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3m8c h SER 58 Cb 0.91 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3m8c h SER 58 CO 0.08 0.23 0.00 0.18 -1.14 0.00 0.00 176.83 176.19 3m8c n LEU 59 N -4.47 1.61 0.28 5.07 4.77 -0.61 -3.73 117.00 119.93 3m8c n LEU 59 Ca 0.10 -0.64 0.17 0.00 -0.03 0.00 0.00 56.01 55.61 3m8c n LEU 59 Cb 0.35 -0.07 0.94 0.00 -2.33 0.00 0.00 43.42 42.31 3m8c n LEU 59 CO 0.34 0.32 1.14 0.11 -1.33 0.00 0.00 177.39 177.97 3m8c h LYS 60 N 2.25 0.00 -6.24 3.23 1.57 -1.32 -3.39 116.57 112.66 3m8c h LYS 60 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 3m8c h LYS 60 Cb 0.49 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.64 3m8c h LYS 60 CO 0.00 0.00 -0.68 -0.51 -0.57 0.00 0.00 179.45 177.69 3m8c s LEU 61 N -7.36 3.31 0.16 2.94 1.43 -1.24 -5.10 118.68 112.81 3m8c s LEU 61 Ca -0.05 -0.10 -0.31 0.00 -1.03 0.00 0.00 54.13 52.65 3m8c s LEU 61 Cb 0.15 -1.91 -0.08 0.00 0.03 0.00 0.00 46.19 44.38 3m8c s LEU 61 CO 0.52 0.28 1.35 -2.16 0.23 0.00 0.00 176.35 176.56 3m8c s PRO 62 N -1.52 4.35 0.01 1.29 0.04 -1.26 -5.01 135.00 132.89 3m8c s PRO 62 Ca 0.18 2.07 0.02 0.00 0.04 0.00 0.00 61.00 63.31 3m8c s PRO 62 Cb -0.11 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 3m8c s PRO 62 CO 0.09 -0.35 -0.00 -0.51 0.04 0.00 0.00 177.00 176.27 3m8c s LEU 63 N 0.51 3.50 -0.29 -3.56 1.43 -1.26 -4.57 118.68 114.44 3m8c s LEU 63 Ca 0.61 -0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.68 3m8c s LEU 63 Cb -0.37 -2.03 0.05 0.00 0.03 0.00 0.00 46.19 43.88 3m8c s LEU 63 CO 0.34 0.27 -0.03 0.00 0.23 0.00 0.00 176.35 177.16 3m8c s ALA 64 N -1.10 2.74 -0.12 4.21 0.00 -0.24 -4.54 121.76 122.71 3m8c s ALA 64 Ca 0.20 -1.78 -0.02 0.00 0.00 0.00 0.00 51.96 50.36 3m8c s ALA 64 Cb -0.12 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 3m8c s ALA 64 CO 0.11 -1.26 -0.06 0.08 0.00 0.00 0.00 175.76 174.63 3m8c s VAL 65 N 1.20 3.74 -0.06 0.00 1.01 -1.26 -0.60 120.40 124.43 3m8c s VAL 65 Ca -0.06 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 3m8c s VAL 65 Cb -0.20 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.62 3m8c s VAL 65 CO -0.02 0.54 0.02 -0.70 0.00 0.00 0.00 175.10 174.94 3m8c s GLU 66 N -0.09 0.35 0.13 2.72 2.12 -0.36 -4.89 118.70 118.68 3m8c s GLU 66 Ca 0.01 0.20 -0.31 0.00 0.36 0.00 0.00 54.97 55.23 3m8c s GLU 66 Cb -0.13 -0.78 -0.08 0.00 0.26 0.00 0.00 34.13 33.39 3m8c s GLU 66 CO 0.03 -0.30 1.43 -0.51 -0.54 0.00 0.00 175.26 175.37 3m8c s LEU 67 N 2.00 4.37 0.00 2.70 1.43 -1.26 -1.20 118.68 126.72 3m8c s LEU 67 Ca 0.04 2.40 0.17 0.00 -1.03 0.00 0.00 54.13 55.71 3m8c s LEU 67 Cb -0.12 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 3m8c s LEU 67 CO -0.04 -0.69 0.85 0.35 0.23 0.00 0.00 176.35 177.05 3m8c n THR 68 N 3.93 0.00 -3.92 5.49 -2.24 -0.67 -4.92 114.28 111.94 3m8c n THR 68 Ca 0.12 -0.30 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 3m8c n THR 68 Cb 0.41 1.17 -0.05 0.00 -2.10 0.00 0.00 70.33 69.76 3m8c n THR 68 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3m8c s GLN 69 N -2.03 1.44 0.66 -0.78 -0.21 -1.25 -4.99 119.66 112.51 3m8c s GLN 69 Ca 0.13 -1.13 -0.17 0.00 0.02 0.00 0.00 55.36 54.20 3m8c s GLN 69 Cb 0.13 0.47 -0.01 0.00 1.00 0.00 0.00 33.01 34.60 3m8c s GLN 69 CO 0.45 -0.59 1.06 -0.85 -2.12 0.00 0.00 175.29 173.24 3m8c n GLU 70 N -0.34 0.79 -2.76 2.91 0.28 -1.26 -4.70 120.64 115.56 3m8c n GLU 70 Ca -0.05 0.32 -0.37 0.00 -0.16 0.00 0.00 57.16 56.91 3m8c n GLU 70 Cb 0.62 -2.29 -0.06 0.00 1.43 0.00 0.00 31.44 31.13 3m8c n GLU 70 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3m8c s VAL 71 N -1.60 4.17 -0.22 3.84 1.01 -1.26 -4.76 120.40 121.57 3m8c s VAL 71 Ca 0.77 1.74 -0.07 0.00 0.00 0.00 0.00 61.98 64.43 3m8c s VAL 71 Cb -0.38 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3m8c s VAL 71 CO 0.46 0.09 0.06 -0.13 0.00 0.00 0.00 175.10 175.58 3m8c s ARG 72 N -2.19 3.73 -0.03 2.72 3.00 -0.27 -4.99 118.95 120.93 3m8c s ARG 72 Ca 0.52 -0.45 0.01 0.00 0.00 0.00 0.00 55.73 55.81 3m8c s ARG 72 Cb -0.18 -3.25 0.02 0.00 0.00 0.00 0.00 34.95 31.54 3m8c s ARG 72 CO 0.23 -0.03 -0.02 0.00 0.00 0.00 0.00 175.30 175.48 3m8c s ALA 73 N 1.16 0.45 -0.07 2.13 0.00 -1.26 -0.86 121.76 123.30 3m8c s ALA 73 Ca 0.04 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 3m8c s ALA 73 Cb -0.14 -0.30 0.09 0.00 0.00 0.00 0.00 23.12 22.77 3m8c s ALA 73 CO 0.03 -0.01 0.80 0.54 0.00 0.00 0.00 175.76 177.12 3m8c s VAL 74 N 0.73 0.00 0.00 0.00 0.11 -0.09 -4.85 120.40 116.30 3m8c s VAL 74 Ca -0.08 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 3m8c s VAL 74 Cb -0.11 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 3m8c s VAL 74 CO -0.01 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.76 3m8c n ALA 75 N 0.66 0.00 -1.62 1.54 0.00 -1.26 -0.82 120.51 119.00 3m8c n ALA 75 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.05 3m8c n ALA 75 Cb 0.58 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.12 3m8c n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3m8c n ASN 76 N 6.67 5.45 -3.89 0.00 3.02 -1.26 -4.08 115.26 121.17 3m8c n ASN 76 Ca 0.00 -3.77 -0.10 0.00 -0.03 0.00 0.00 54.58 50.68 3m8c n ASN 76 Cb 0.00 -0.66 -0.10 0.00 -0.61 0.00 0.00 39.78 38.42 3m8c n ASN 76 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3m8c s GLU 77 N -3.61 0.54 0.02 3.52 2.02 0.00 -1.46 118.70 119.73 3m8c s GLU 77 Ca 0.55 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.99 3m8c s GLU 77 Cb 0.45 0.22 -0.02 0.00 0.10 0.00 0.00 34.13 34.88 3m8c s GLU 77 CO 0.02 -0.13 -0.04 0.00 0.02 0.00 0.00 175.26 175.13 3m8c s ALA 78 N -1.95 0.18 0.02 5.21 0.00 -0.45 -0.91 121.76 123.87 3m8c s ALA 78 Ca -0.10 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.29 3m8c s ALA 78 Cb -0.05 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 3m8c s ALA 78 CO -0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 175.76 175.56 3m8c s ALA 79 N -1.37 0.45 0.00 0.00 0.00 -0.04 -0.87 121.76 119.93 3m8c s ALA 79 Ca -0.14 -0.55 -0.15 0.00 0.00 0.00 0.00 51.96 51.12 3m8c s ALA 79 Cb -0.10 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.06 3m8c s ALA 79 CO -0.01 0.00 0.32 -0.59 0.00 0.00 0.00 175.76 175.48 3m8c s PHE 80 N -0.95 -0.17 0.02 0.00 -0.71 -0.64 -1.11 117.98 114.43 3m8c s PHE 80 Ca -0.07 0.20 0.05 0.00 -1.04 0.00 0.00 56.93 56.07 3m8c s PHE 80 Cb -0.07 0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.81 3m8c s PHE 80 CO 0.00 -0.43 -0.11 0.00 -1.34 0.00 0.00 175.22 173.34 3m8c s ALA 81 N -1.68 2.86 0.06 1.99 0.00 -1.26 -1.88 121.76 121.84 3m8c s ALA 81 Ca -0.11 -1.10 -0.28 0.00 0.00 0.00 0.00 51.96 50.47 3m8c s ALA 81 Cb -0.04 -0.97 0.10 0.00 0.00 0.00 0.00 23.12 22.21 3m8c s ALA 81 CO 0.02 0.60 1.15 -0.59 0.00 0.00 0.00 175.76 176.94 3m8c s PHE 82 N -0.99 -0.06 0.11 0.00 -0.71 -1.19 -1.67 117.98 113.46 3m8c s PHE 82 Ca 0.17 -0.14 0.07 0.00 -1.04 0.00 0.00 56.93 55.98 3m8c s PHE 82 Cb -0.11 0.59 -0.03 0.00 -1.21 0.00 0.00 43.02 42.26 3m8c s PHE 82 CO 0.07 -0.52 -0.17 0.95 -1.34 0.00 0.00 175.22 174.21 3m8c s THR 83 N -2.70 1.46 -0.12 -4.49 -4.23 -0.34 -3.17 115.64 102.05 3m8c s THR 83 Ca 0.15 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 3m8c s THR 83 Cb 0.02 -1.45 0.02 0.00 1.34 0.00 0.00 72.50 72.43 3m8c s THR 83 CO -0.01 -0.23 -0.12 0.68 -0.54 0.00 0.00 174.62 174.41 3m8c s VAL 84 N -1.55 1.31 -0.11 2.29 -7.23 -0.16 -1.22 120.40 113.72 3m8c s VAL 84 Ca 0.06 -0.49 0.02 0.00 -1.81 0.00 0.00 61.98 59.76 3m8c s VAL 84 Cb -0.08 -1.25 -0.01 0.00 0.56 0.00 0.00 36.38 35.60 3m8c s VAL 84 CO 0.04 0.41 -0.17 -0.44 -0.31 0.00 0.00 175.10 174.63 3m8c s SER 85 N 1.39 3.68 0.18 4.85 0.01 0.23 -0.50 113.70 123.54 3m8c s SER 85 Ca 0.01 -0.40 -0.03 0.00 1.31 0.00 0.00 55.95 56.84 3m8c s SER 85 Cb -0.13 -1.45 -0.03 0.00 0.21 0.00 0.00 66.02 64.61 3m8c s SER 85 CO -0.07 0.18 0.15 0.72 0.41 0.00 0.00 173.24 174.63 3m8c s PHE 86 N 0.24 0.96 -0.01 2.43 -0.71 -0.46 -1.08 117.98 119.35 3m8c s PHE 86 Ca -0.11 -1.24 0.00 0.00 -1.04 0.00 0.00 56.93 54.53 3m8c s PHE 86 Cb -0.16 -0.44 0.01 0.00 -1.21 0.00 0.00 43.02 41.22 3m8c s PHE 86 CO 0.06 -0.64 0.01 -2.00 -1.34 0.00 0.00 175.22 171.31 3m8c s GLU 87 N -4.10 0.04 -0.05 1.99 2.12 -1.26 -1.00 118.70 116.43 3m8c s GLU 87 Ca 0.32 0.05 -0.01 0.00 0.36 0.00 0.00 54.97 55.70 3m8c s GLU 87 Cb 0.06 -0.15 0.03 0.00 0.26 0.00 0.00 34.13 34.33 3m8c s GLU 87 CO 0.08 -0.06 0.00 -0.47 -0.54 0.00 0.00 175.26 174.28 3m8c s TYR 88 N 0.42 0.52 -1.41 5.30 5.04 -0.31 -4.86 117.35 122.04 3m8c s TYR 88 Ca -0.04 -0.08 -0.05 0.00 -2.44 0.00 0.00 57.07 54.46 3m8c s TYR 88 Cb -0.05 -0.64 0.03 0.00 0.35 0.00 0.00 41.96 41.65 3m8c s TYR 88 CO -0.01 -0.24 0.73 1.04 -1.34 0.00 0.00 175.55 175.72 3m8c n GLN 89 N 4.74 -4.66 -0.86 4.97 1.13 -1.26 -1.68 117.38 119.76 3m8c n GLN 89 Ca -0.14 0.56 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 3m8c n GLN 89 Cb 0.50 -5.13 0.00 0.00 0.11 0.00 0.00 30.24 25.72 3m8c n GLN 89 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3m8c n GLY 90 N -1.68 1.10 3.34 1.08 0.00 -1.26 -4.98 105.19 102.78 3m8c n GLY 90 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 3m8c n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m8c s ARG 91 N -0.07 3.31 0.00 1.61 0.52 -0.68 -5.08 118.95 118.56 3m8c s ARG 91 Ca 0.00 -0.69 -0.18 0.00 -0.52 0.00 0.00 55.73 54.34 3m8c s ARG 91 Cb 0.00 -3.18 -0.06 0.00 0.52 0.00 0.00 34.95 32.23 3m8c s ARG 91 CO 0.00 -0.28 0.50 0.15 0.02 0.00 0.00 175.30 175.68 3m8c s LYS 92 N 1.50 4.14 0.03 3.54 1.02 -1.26 -1.17 119.74 127.54 3m8c s LYS 92 Ca 0.04 0.57 0.06 0.00 0.02 0.00 0.00 55.97 56.66 3m8c s LYS 92 Cb -0.15 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 33.85 3m8c s LYS 92 CO -0.00 0.54 -0.17 0.99 -0.92 0.00 0.00 175.35 175.78 3m8c s THR 93 N -0.67 1.39 -0.15 2.17 2.01 -0.17 -1.76 115.64 118.46 3m8c s THR 93 Ca 0.27 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 61.24 3m8c s THR 93 Cb -0.18 -1.22 0.03 0.00 0.01 0.00 0.00 72.50 71.14 3m8c s THR 93 CO 0.15 0.16 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.45 3m8c s VAL 94 N -0.74 1.38 -0.12 3.82 1.01 0.34 -1.35 120.40 124.73 3m8c s VAL 94 Ca 0.05 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 3m8c s VAL 94 Cb -0.08 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3m8c s VAL 94 CO 0.01 0.34 0.08 -0.69 0.00 0.00 0.00 175.10 174.84 3m8c s VAL 95 N 1.55 4.95 -0.58 2.92 1.01 0.34 0.08 120.40 130.67 3m8c s VAL 95 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.06 3m8c s VAL 95 Cb -0.14 -3.14 0.15 0.00 0.00 0.00 0.00 36.38 33.25 3m8c s VAL 95 CO -0.09 0.59 0.35 0.00 0.00 0.00 0.00 175.10 175.95 3m8c s ALA 96 N -0.74 3.39 0.64 5.51 0.00 0.08 -0.99 121.76 129.65 3m8c s ALA 96 Ca 0.12 -3.44 -0.03 0.00 0.00 0.00 0.00 51.96 48.62 3m8c s ALA 96 Cb -0.12 -2.13 0.05 0.00 0.00 0.00 0.00 23.12 20.92 3m8c s ALA 96 CO 0.03 -2.05 0.91 -2.14 0.00 0.00 0.00 175.76 172.50 3m8c s PRO 97 N -0.70 2.34 -0.15 0.00 0.02 -1.19 -4.85 135.00 130.48 3m8c s PRO 97 Ca 0.20 -0.51 0.02 0.00 0.02 0.00 0.00 61.00 60.74 3m8c s PRO 97 Cb -0.17 -2.32 0.01 0.00 0.02 0.00 0.00 34.50 32.05 3m8c s PRO 97 CO -0.07 -1.01 -0.20 0.42 -0.33 0.00 0.00 177.00 175.81 3m8c s ILE 98 N -3.03 1.97 0.06 2.83 1.01 -0.56 -3.20 121.20 120.28 3m8c s ILE 98 Ca 0.59 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 60.33 3m8c s ILE 98 Cb -0.10 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 3m8c s ILE 98 CO 0.42 0.53 0.16 0.20 0.00 0.00 0.00 174.94 176.25 3m8c s ASN 99 N 0.98 6.05 -0.10 3.58 -0.87 -0.79 0.03 114.94 123.82 3m8c s ASN 99 Ca -0.04 0.18 0.02 0.00 -1.57 0.00 0.00 52.86 51.45 3m8c s ASN 99 Cb -0.15 -1.79 0.02 0.00 -0.02 0.00 0.00 41.25 39.31 3m8c s ASN 99 CO -0.05 0.19 -0.14 -2.28 -2.57 0.00 0.00 177.10 172.25 3m8c s HIS 100 N -1.43 1.83 -0.11 2.20 5.65 0.04 -1.61 115.29 121.86 3m8c s HIS 100 Ca 0.32 -0.83 -0.02 0.00 0.25 0.00 0.00 55.06 54.77 3m8c s HIS 100 Cb -0.13 -1.34 -0.03 0.00 -1.18 0.00 0.00 32.58 29.90 3m8c s HIS 100 CO 0.24 -0.44 -0.02 -0.06 -0.65 0.00 0.00 174.74 173.81 3m8c s PHE 101 N 0.99 3.08 -0.11 3.88 0.08 -0.05 -1.17 117.98 124.68 3m8c s PHE 101 Ca -0.07 0.01 -0.01 0.00 0.12 0.00 0.00 56.93 56.98 3m8c s PHE 101 Cb -0.15 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 3m8c s PHE 101 CO -0.01 0.28 -0.06 0.50 -0.10 0.00 0.00 175.22 175.83 3m8c s ARG 102 N -0.45 3.17 0.07 0.44 3.52 -0.40 -1.33 118.95 123.96 3m8c s ARG 102 Ca 0.08 -0.54 0.04 0.00 -0.13 0.00 0.00 55.73 55.17 3m8c s ARG 102 Cb -0.12 -2.72 -0.04 0.00 -1.56 0.00 0.00 34.95 30.51 3m8c s ARG 102 CO 0.02 0.47 0.04 -0.06 -0.81 0.00 0.00 175.30 174.95 3m8c s PHE 103 N -0.26 3.10 0.72 5.12 0.40 -0.54 -0.29 117.98 126.22 3m8c s PHE 103 Ca 0.04 0.04 -0.02 0.00 -0.60 0.00 0.00 56.93 56.38 3m8c s PHE 103 Cb -0.13 -1.59 0.11 0.00 0.51 0.00 0.00 43.02 41.92 3m8c s PHE 103 CO 0.02 0.50 0.99 0.54 0.70 0.00 0.00 175.22 177.98 3m8c s ASN 104 N -2.26 4.42 0.37 1.36 2.20 0.07 -4.83 114.94 116.27 3m8c s ASN 104 Ca 0.27 -0.17 0.06 0.00 -0.94 0.00 0.00 52.86 52.08 3m8c s ASN 104 Cb -0.12 -0.28 0.76 0.00 -2.00 0.00 0.00 41.25 39.62 3m8c s ASN 104 CO 0.19 -1.81 1.96 1.23 -2.94 0.00 0.00 177.10 175.74 3m8c h GLY 105 N -0.55 0.92 1.00 0.45 0.00 -1.99 0.44 103.07 103.34 3m8c h GLY 105 Ca -0.39 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.65 3m8c h GLY 105 CO 0.44 0.22 0.00 0.00 0.00 0.00 0.00 176.54 177.19 3m8c n ALA 106 N -2.45 2.41 -0.79 3.60 0.00 -1.26 -4.83 120.51 117.20 3m8c n ALA 106 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3m8c n ALA 106 Cb 0.23 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3m8c n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m8c n GLY 107 N 0.54 0.57 3.92 0.00 0.00 0.15 -5.05 105.19 105.33 3m8c n GLY 107 Ca 0.18 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 3m8c n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m8c s LYS 108 N -0.70 3.41 -0.09 1.61 -0.14 -1.26 -4.88 119.74 117.71 3m8c s LYS 108 Ca 0.00 -0.52 -0.30 0.00 -1.36 0.00 0.00 55.97 53.79 3m8c s LYS 108 Cb 0.00 -2.99 -0.02 0.00 -1.68 0.00 0.00 37.83 33.14 3m8c s LYS 108 CO 0.00 0.57 1.08 0.08 -0.76 0.00 0.00 175.35 176.32 3m8c s VAL 109 N -1.61 4.58 -0.16 3.17 1.01 -0.29 -0.75 120.40 126.36 3m8c s VAL 109 Ca 0.35 1.87 0.22 0.00 0.00 0.00 0.00 61.98 64.41 3m8c s VAL 109 Cb -0.12 -4.20 -0.33 0.00 0.00 0.00 0.00 36.38 31.73 3m8c s VAL 109 CO 0.28 0.00 0.53 1.33 0.00 0.00 0.00 175.10 177.24 3m8c n VAL 110 N 4.58 0.00 -3.71 2.92 0.24 0.60 -0.24 118.33 122.71 3m8c n VAL 110 Ca 0.10 -0.43 -0.12 0.00 -2.04 0.00 0.00 64.34 61.84 3m8c n VAL 110 Cb 0.48 0.13 -0.11 0.00 -1.47 0.00 0.00 33.84 32.87 3m8c n VAL 110 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3m8c s SER 111 N -4.32 -0.46 -0.06 -1.34 0.15 -1.07 -1.32 113.70 105.27 3m8c s SER 111 Ca -0.06 0.84 0.04 0.00 0.70 0.00 0.00 55.95 57.47 3m8c s SER 111 Cb 0.14 0.78 -0.00 0.00 -1.71 0.00 0.00 66.02 65.23 3m8c s SER 111 CO 0.90 -0.17 -0.19 -0.32 1.20 0.00 0.00 173.24 174.66 3m8c s MET 112 N 0.86 2.20 -0.08 5.44 0.00 -0.04 -1.28 119.30 126.41 3m8c s MET 112 Ca -0.05 -0.69 0.01 0.00 0.00 0.00 0.00 55.69 54.95 3m8c s MET 112 Cb -0.06 -1.81 0.02 0.00 0.00 0.00 0.00 34.83 32.98 3m8c s MET 112 CO -0.07 0.22 -0.10 1.03 0.00 0.00 0.00 175.02 176.11 3m8c s ARG 113 N 0.17 1.58 -0.31 4.11 0.52 -0.32 -0.37 118.95 124.32 3m8c s ARG 113 Ca -0.09 -0.33 -0.10 0.00 -0.52 0.00 0.00 55.73 54.68 3m8c s ARG 113 Cb -0.14 -1.43 -0.01 0.00 0.52 0.00 0.00 34.95 33.89 3m8c s ARG 113 CO 0.04 -0.09 0.17 0.00 0.02 0.00 0.00 175.30 175.44 3m8c s ALA 114 N 1.06 3.32 -0.30 2.13 0.00 -0.16 -0.78 121.76 127.03 3m8c s ALA 114 Ca -0.07 -1.38 -0.08 0.00 0.00 0.00 0.00 51.96 50.44 3m8c s ALA 114 Cb -0.15 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.55 3m8c s ALA 114 CO -0.01 -0.90 0.10 -1.17 0.00 0.00 0.00 175.76 173.78 3m8c s LEU 115 N 1.64 3.89 -0.10 0.00 0.20 0.11 -1.89 118.68 122.53 3m8c s LEU 115 Ca 0.05 -0.64 -0.30 0.00 0.69 0.00 0.00 54.13 53.92 3m8c s LEU 115 Cb -0.17 -1.91 0.10 0.00 -0.43 0.00 0.00 46.19 43.78 3m8c s LEU 115 CO 0.07 -0.19 0.84 0.72 -0.29 0.00 0.00 176.35 177.51 3m8c s PHE 116 N 1.53 -0.50 0.15 5.38 -0.71 -1.26 -1.50 117.98 121.07 3m8c s PHE 116 Ca 0.03 0.85 0.01 0.00 -1.04 0.00 0.00 56.93 56.78 3m8c s PHE 116 Cb -0.17 0.43 -0.00 0.00 -1.21 0.00 0.00 43.02 42.07 3m8c s PHE 116 CO 0.03 -0.48 0.02 0.41 -1.34 0.00 0.00 175.22 173.87 3m8c n GLY 117 N 0.78 3.92 0.24 1.99 0.00 -1.26 -4.84 105.19 106.01 3m8c n GLY 117 Ca -0.14 -2.13 0.07 0.00 0.00 0.00 0.00 46.02 43.82 3m8c n GLY 117 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3m8c h GLU 118 N 0.00 0.00 0.00 1.61 4.39 -2.03 0.07 114.58 118.62 3m8c h GLU 118 Ca -0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 3m8c h GLU 118 Cb 0.40 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3m8c h GLU 118 CO 0.20 0.14 -0.04 0.87 -1.16 0.00 0.00 179.01 179.01 3m8c h LYS 119 N 0.00 0.00 -0.24 2.33 1.79 -2.02 -2.55 116.57 115.87 3m8c h LYS 119 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3m8c h LYS 119 Cb 0.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 3m8c h LYS 119 CO 0.02 0.04 0.00 0.09 -1.08 0.00 0.00 179.45 178.52 3m8c n ASN 120 N -3.28 1.92 -4.43 0.86 4.13 0.01 -4.81 115.26 109.66 3m8c n ASN 120 Ca -0.01 -1.81 -0.37 0.00 1.68 0.00 0.00 54.58 54.06 3m8c n ASN 120 Cb 0.20 -0.16 -0.12 0.00 -1.54 0.00 0.00 39.78 38.16 3m8c n ASN 120 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3m8c s ILE 121 N -1.68 4.40 0.17 2.41 1.01 -0.96 -0.74 121.20 125.81 3m8c s ILE 121 Ca 0.31 -0.33 0.08 0.00 0.00 0.00 0.00 60.65 60.71 3m8c s ILE 121 Cb 0.17 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 3m8c s ILE 121 CO 0.24 0.20 -0.16 -1.00 0.00 0.00 0.00 174.94 174.22 3m8c s HIS 122 N 1.60 1.71 0.94 3.97 3.76 0.11 -4.97 115.29 122.42 3m8c s HIS 122 Ca 0.05 -0.52 -0.11 0.00 -0.15 0.00 0.00 55.06 54.33 3m8c s HIS 122 Cb -0.16 -0.83 0.16 0.00 1.11 0.00 0.00 32.58 32.85 3m8c s HIS 122 CO 0.05 0.31 1.10 0.00 -0.85 0.00 0.00 174.74 175.34 3m8c s ALA 123 N -2.41 1.18 -2.16 -1.40 0.00 -1.26 -0.51 121.76 115.20 3m8c s ALA 123 Ca 0.17 0.21 0.31 0.00 0.00 0.00 0.00 51.96 52.64 3m8c s ALA 123 Cb -0.04 -3.31 1.64 0.00 0.00 0.00 0.00 23.12 21.42 3m8c s ALA 123 CO 0.06 -2.75 2.08 0.41 0.00 0.00 0.00 175.76 175.56