#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5c n LEU 2 N 0.00 0.00 0.00 3.17 4.77 -1.26 -4.98 117.00 118.70 3d5c n LEU 2 Ca 0.00 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3d5c n LEU 2 Cb 0.00 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 3d5c n LEU 2 CO 0.00 -1.50 0.00 0.35 -1.33 0.00 0.00 177.39 174.91 3d5c n THR 3 N -2.07 0.00 -3.53 -5.08 -2.24 -1.26 -5.04 114.28 95.06 3d5c n THR 3 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 3d5c n THR 3 Cb 0.08 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.19 3d5c n THR 3 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d5c s ASP 4 N -1.48 5.83 0.36 3.42 2.15 -1.26 -4.95 116.67 120.73 3d5c s ASP 4 Ca 0.00 -1.31 0.10 0.00 0.43 0.00 0.00 52.55 51.78 3d5c s ASP 4 Cb 0.00 -2.06 0.86 0.00 -0.30 0.00 0.00 42.92 41.42 3d5c s ASP 4 CO 0.00 -0.53 1.84 -0.65 -0.17 0.00 0.00 175.17 175.66 3d5c h PRO 5 N 8.53 0.63 -0.39 4.34 0.11 -1.97 -0.87 132.00 142.38 3d5c h PRO 5 Ca -0.25 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 3d5c h PRO 5 Cb 1.10 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 3d5c h PRO 5 CO 0.77 0.42 0.21 0.82 -0.21 0.00 0.00 178.00 180.01 3d5c h ILE 6 N 0.65 1.15 -0.20 4.15 1.08 -1.98 -0.74 117.51 121.62 3d5c h ILE 6 Ca 0.49 -0.40 0.05 0.00 -0.39 0.00 0.00 64.86 64.61 3d5c h ILE 6 Cb 0.87 0.71 -0.07 0.00 -3.07 0.00 0.00 36.82 35.26 3d5c h ILE 6 CO -0.24 0.16 -0.33 0.00 -0.69 0.00 0.00 178.15 177.05 3d5c h ALA 7 N 1.07 -0.35 0.00 1.87 0.00 -1.58 0.12 119.26 120.39 3d5c h ALA 7 Ca 0.14 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3d5c h ALA 7 Cb 0.07 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3d5c h ALA 7 CO -0.02 -0.79 -0.32 0.38 0.00 0.00 0.00 179.25 178.50 3d5c h ASP 8 N -0.37 0.00 0.32 0.00 3.04 -1.45 -2.93 116.42 115.03 3d5c h ASP 8 Ca 0.11 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.89 3d5c h ASP 8 Cb 0.55 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.84 3d5c h ASP 8 CO -0.40 0.32 -0.15 -0.03 -2.04 0.00 0.00 179.24 176.94 3d5c h MET 9 N 0.00 -0.41 -0.65 4.15 4.05 0.47 -1.13 114.93 121.41 3d5c h MET 9 Ca -0.00 0.03 0.19 0.00 -0.28 0.00 0.00 59.70 59.63 3d5c h MET 9 Cb 0.74 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.61 3d5c h MET 9 CO 0.04 -0.08 0.49 -0.07 0.23 0.00 0.00 176.91 177.51 3d5c h LEU 10 N -0.80 0.00 -0.30 3.39 3.38 -0.85 0.13 115.31 120.26 3d5c h LEU 10 Ca -0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 3d5c h LEU 10 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3d5c h LEU 10 CO 0.07 0.00 -0.65 0.74 0.09 0.00 0.00 178.44 178.69 3d5c h THR 11 N 0.00 1.30 -0.36 0.22 2.02 -1.28 -1.53 112.91 113.27 3d5c h THR 11 Ca 0.31 -1.88 0.08 0.00 0.77 0.00 0.00 66.41 65.68 3d5c h THR 11 Cb 1.28 1.84 -0.08 0.00 -1.74 0.00 0.00 68.15 69.45 3d5c h THR 11 CO -0.00 0.60 -0.17 0.03 0.37 0.00 0.00 175.52 176.34 3d5c h ARG 12 N 0.53 -0.10 0.12 6.66 2.47 0.54 0.19 114.38 124.79 3d5c h ARG 12 Ca -0.02 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 3d5c h ARG 12 Cb 1.26 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.57 3d5c h ARG 12 CO 0.13 -0.07 -0.22 0.82 0.56 0.00 0.00 179.97 181.19 3d5c h ILE 13 N -0.11 0.51 0.39 2.04 5.03 -1.37 -0.43 117.51 123.56 3d5c h ILE 13 Ca 0.18 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.91 3d5c h ILE 13 Cb 0.39 0.51 -0.02 0.00 -3.03 0.00 0.00 36.82 34.66 3d5c h ILE 13 CO -0.43 0.00 -0.45 -0.09 -0.68 0.00 0.00 178.15 176.50 3d5c h ARG 14 N -0.42 -0.81 -1.01 2.37 2.43 -0.40 0.40 114.38 116.94 3d5c h ARG 14 Ca 0.03 0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 3d5c h ARG 14 Cb 0.43 0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.11 3d5c h ARG 14 CO -0.12 -0.54 0.65 -0.91 -1.51 0.00 0.00 179.97 177.54 3d5c h ASN 15 N -0.85 1.07 0.36 -3.80 2.35 -0.69 -1.03 115.58 113.00 3d5c h ASN 15 Ca -0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3d5c h ASN 15 Cb 0.75 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3d5c h ASN 15 CO -0.09 0.70 -0.17 0.00 -1.65 0.00 0.00 177.43 176.22 3d5c h ALA 16 N 1.44 -0.49 -0.95 -0.83 0.00 -0.73 -3.09 119.26 114.60 3d5c h ALA 16 Ca 0.42 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.29 3d5c h ALA 16 Cb 0.10 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 3d5c h ALA 16 CO -0.15 -0.66 0.58 1.79 0.00 0.00 0.00 179.25 180.81 3d5c h THR 17 N -0.73 0.87 -0.54 0.00 1.35 0.04 0.21 112.91 114.11 3d5c h THR 17 Ca -0.05 -0.30 0.11 0.00 -0.55 0.00 0.00 66.41 65.62 3d5c h THR 17 Cb 0.50 -0.09 -0.03 0.00 -1.73 0.00 0.00 68.15 66.80 3d5c h THR 17 CO 0.08 0.16 0.37 0.03 -0.25 0.00 0.00 175.52 175.91 3d5c h ARG 18 N 0.88 0.25 -0.02 4.72 -0.00 -1.12 -0.71 114.38 118.39 3d5c h ARG 18 Ca 0.49 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.95 3d5c h ARG 18 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.45 3d5c h ARG 18 CO -0.29 0.17 -0.17 1.33 0.00 0.00 0.00 179.97 181.01 3d5c n VAL 19 N -4.45 0.00 -2.88 2.04 0.24 -0.02 -5.02 118.33 108.24 3d5c n VAL 19 Ca 0.09 -0.42 -0.06 0.00 -2.04 0.00 0.00 64.34 61.91 3d5c n VAL 19 Cb 0.43 1.31 0.03 0.00 -1.47 0.00 0.00 33.84 34.14 3d5c n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3d5c n TYR 20 N 0.54 -2.29 -2.98 6.34 4.01 0.53 -5.03 117.16 118.28 3d5c n TYR 20 Ca 0.09 0.84 -0.25 0.00 -0.16 0.00 0.00 57.90 58.42 3d5c n TYR 20 Cb 0.43 -3.78 -0.00 0.00 -0.31 0.00 0.00 39.34 35.68 3d5c n TYR 20 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3d5c s LYS 21 N -3.57 3.41 0.09 -0.72 -0.14 -1.13 -5.01 119.74 112.66 3d5c s LYS 21 Ca 0.19 -0.13 -0.18 0.00 -1.36 0.00 0.00 55.97 54.49 3d5c s LYS 21 Cb -0.02 -2.51 -0.08 0.00 -1.68 0.00 0.00 37.83 33.53 3d5c s LYS 21 CO 0.62 -0.10 1.48 1.49 -0.76 0.00 0.00 175.35 178.09 3d5c h GLU 22 N 0.44 0.52 -1.80 1.68 4.57 -1.94 -3.43 114.58 114.62 3d5c h GLU 22 Ca -0.48 -0.20 0.25 0.00 -1.18 0.00 0.00 59.36 57.75 3d5c h GLU 22 Cb 1.22 -0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 29.66 3d5c h GLU 22 CO 0.61 0.73 0.69 -1.54 -1.18 0.00 0.00 179.01 178.32 3d5c s SER 23 N -6.12 -0.13 0.04 1.04 1.04 -1.26 -1.98 113.70 106.33 3d5c s SER 23 Ca -0.13 -0.19 -0.03 0.00 0.48 0.00 0.00 55.95 56.08 3d5c s SER 23 Cb 0.08 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 66.45 3d5c s SER 23 CO 0.77 -0.50 0.04 -0.89 0.98 0.00 0.00 173.24 173.63 3d5c s THR 24 N -2.75 0.16 0.43 2.02 2.01 -1.04 -4.98 115.64 111.49 3d5c s THR 24 Ca 0.12 -1.30 0.08 0.00 0.31 0.00 0.00 61.69 60.90 3d5c s THR 24 Cb 0.02 -1.01 -0.00 0.00 0.01 0.00 0.00 72.50 71.52 3d5c s THR 24 CO -0.03 -0.72 0.48 -1.81 -0.69 0.00 0.00 174.62 171.85 3d5c s ASP 25 N -2.30 5.27 -0.29 3.53 1.11 -1.26 -0.91 116.67 121.82 3d5c s ASP 25 Ca -0.03 -0.65 -0.20 0.00 0.18 0.00 0.00 52.55 51.86 3d5c s ASP 25 Cb 0.01 -0.52 0.16 0.00 1.07 0.00 0.00 42.92 43.64 3d5c s ASP 25 CO -0.06 -0.75 1.13 0.54 1.18 0.00 0.00 175.17 177.21 3d5c s VAL 26 N -2.45 0.00 -0.13 -1.27 0.11 -1.05 -4.90 120.40 110.71 3d5c s VAL 26 Ca 0.51 0.00 -0.39 0.00 -2.93 0.00 0.00 61.98 59.17 3d5c s VAL 26 Cb -0.06 -1.00 -0.19 0.00 -1.53 0.00 0.00 36.38 33.60 3d5c s VAL 26 CO 0.30 0.00 1.14 -2.65 -3.33 0.00 0.00 175.10 170.56 3d5c n PRO 27 N 2.83 0.00 -1.90 1.54 -0.02 -1.26 -0.66 135.00 135.53 3d5c n PRO 27 Ca -0.15 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.91 3d5c n PRO 27 Cb 0.57 -1.41 -0.02 0.00 -0.02 0.00 0.00 33.50 32.62 3d5c n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d5c s ALA 28 N 0.77 3.67 -0.02 3.55 0.00 -0.02 -4.73 121.76 124.99 3d5c s ALA 28 Ca 0.89 1.45 -0.23 0.00 0.00 0.00 0.00 51.96 54.06 3d5c s ALA 28 Cb -1.25 -3.60 0.05 0.00 0.00 0.00 0.00 23.12 18.32 3d5c s ALA 28 CO 0.60 -0.86 0.51 -1.54 0.00 0.00 0.00 175.76 174.46 3d5c s SER 29 N 0.36 -0.44 0.12 0.00 1.04 -1.26 -4.98 113.70 108.54 3d5c s SER 29 Ca 0.60 0.38 -0.31 0.00 0.48 0.00 0.00 55.95 57.11 3d5c s SER 29 Cb -0.45 0.44 -0.09 0.00 0.10 0.00 0.00 66.02 66.02 3d5c s SER 29 CO 0.47 -0.56 1.58 -0.09 0.98 0.00 0.00 173.24 175.62 3d5c h ARG 30 N 3.31 -0.60 -0.68 4.02 9.65 -2.01 -2.61 114.38 125.46 3d5c h ARG 30 Ca -0.29 0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.58 3d5c h ARG 30 Cb 1.16 0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.85 3d5c h ARG 30 CO 0.40 -0.40 0.21 0.35 2.80 0.00 0.00 179.97 183.33 3d5c h PHE 31 N -0.62 1.10 -0.79 2.20 3.57 -2.00 -2.27 116.94 118.13 3d5c h PHE 31 Ca 0.03 -0.11 0.07 0.00 3.53 0.00 0.00 57.97 61.49 3d5c h PHE 31 Cb 0.67 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 3d5c h PHE 31 CO -0.41 0.88 0.52 0.87 -2.23 0.00 0.00 178.31 177.94 3d5c h LYS 32 N 1.00 0.79 0.43 1.11 1.57 -1.93 0.03 116.57 119.57 3d5c h LYS 32 Ca 0.22 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3d5c h LYS 32 Cb 0.30 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3d5c h LYS 32 CO -0.01 0.52 -0.22 0.93 -0.57 0.00 0.00 179.45 180.11 3d5c h GLU 33 N 0.82 -0.58 -0.79 3.15 5.08 -1.03 -0.47 114.58 120.76 3d5c h GLU 33 Ca 0.35 0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.93 3d5c h GLU 33 Cb 0.29 0.13 -0.12 0.00 0.50 0.00 0.00 28.75 29.56 3d5c h GLU 33 CO -0.12 -0.39 0.23 0.93 -1.00 0.00 0.00 179.01 178.66 3d5c h GLU 34 N -0.60 0.28 0.24 2.33 4.39 -1.11 1.02 114.58 121.12 3d5c h GLU 34 Ca -0.06 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.63 3d5c h GLU 34 Cb 0.47 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 3d5c h GLU 34 CO 0.09 0.19 -0.29 0.82 -1.16 0.00 0.00 179.01 178.65 3d5c h ILE 35 N 0.29 0.38 -0.07 3.13 1.08 -0.45 -1.46 117.51 120.41 3d5c h ILE 35 Ca 0.46 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.85 3d5c h ILE 35 Cb 0.83 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 3d5c h ILE 35 CO -0.54 0.00 -0.32 -0.07 -0.69 0.00 0.00 178.15 176.53 3d5c h LEU 36 N -0.58 0.14 -0.46 1.44 3.38 -0.09 0.37 115.31 119.50 3d5c h LEU 36 Ca 0.00 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3d5c h LEU 36 Cb 0.56 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3d5c h LEU 36 CO -0.10 0.46 0.15 -0.09 0.09 0.00 0.00 178.44 178.95 3d5c h ARG 37 N 0.12 0.30 0.00 1.13 2.43 0.17 0.84 114.38 119.37 3d5c h ARG 37 Ca 0.02 -0.02 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 3d5c h ARG 37 Cb 0.64 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 3d5c h ARG 37 CO 0.05 0.20 -1.29 0.82 -1.51 0.00 0.00 179.97 178.23 3d5c h ILE 38 N 0.31 1.36 0.00 1.20 2.04 -1.03 -1.67 117.51 119.73 3d5c h ILE 38 Ca 0.22 -3.12 0.00 0.00 1.00 0.00 0.00 64.86 62.96 3d5c h ILE 38 Cb 0.24 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 3d5c h ILE 38 CO -0.24 0.78 0.00 -0.11 0.00 0.00 0.00 178.15 178.58 3d5c n LEU 39 N -3.24 0.00 -0.03 1.44 7.94 0.13 -1.97 117.00 121.28 3d5c n LEU 39 Ca -0.07 0.18 -0.03 0.00 -1.11 0.00 0.00 56.01 54.97 3d5c n LEU 39 Cb 0.99 -0.18 -0.04 0.00 0.53 0.00 0.00 43.42 44.73 3d5c n LEU 39 CO 0.46 -0.08 -0.68 0.00 -1.11 0.00 0.00 177.39 175.99 3d5c n ALA 40 N -1.18 1.87 -0.15 1.96 0.00 0.24 -0.66 120.51 122.60 3d5c n ALA 40 Ca 0.10 -0.30 -0.05 0.00 0.00 0.00 0.00 53.44 53.19 3d5c n ALA 40 Cb 0.11 0.22 0.05 0.00 0.00 0.00 0.00 19.45 19.83 3d5c n ALA 40 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3d5c h ARG 41 N 0.00 0.43 0.00 0.00 2.43 -0.85 -0.66 114.38 115.74 3d5c h ARG 41 Ca -0.14 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3d5c h ARG 41 Cb 1.27 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3d5c h ARG 41 CO -0.00 0.29 -0.10 0.93 -1.51 0.00 0.00 179.97 179.57 3d5c h GLU 42 N 0.45 0.00 -0.86 0.20 4.39 -1.67 -3.49 114.58 113.60 3d5c h GLU 42 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 3d5c h GLU 42 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3d5c h GLU 42 CO -0.16 0.01 0.00 0.41 -1.16 0.00 0.00 179.01 178.11 3d5c n GLY 43 N 1.11 0.36 0.00 -3.84 0.00 -0.25 -5.05 105.19 97.52 3d5c n GLY 43 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3d5c n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3d5c n PHE 44 N -0.19 0.00 -4.42 1.61 3.72 0.16 -4.97 117.46 113.38 3d5c n PHE 44 Ca 0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 3d5c n PHE 44 Cb 0.04 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.45 3d5c n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3d5c s ILE 45 N -0.44 1.38 0.36 4.37 -4.36 -0.56 -4.19 121.20 117.76 3d5c s ILE 45 Ca 0.00 -1.18 0.22 0.00 -0.26 0.00 0.00 60.65 59.43 3d5c s ILE 45 Cb 0.00 -1.24 0.22 0.00 1.25 0.00 0.00 42.46 42.69 3d5c s ILE 45 CO 0.00 0.04 1.96 0.11 0.24 0.00 0.00 174.94 177.29 3d5c h LYS 46 N 4.72 0.00 0.00 0.37 1.57 -1.09 -3.43 116.57 118.70 3d5c h LYS 46 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3d5c h LYS 46 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3d5c h LYS 46 CO 0.43 0.21 0.00 0.41 -0.57 0.00 0.00 179.45 179.93 3d5c n GLY 47 N -0.51 0.09 3.58 3.86 0.00 -1.24 -4.99 105.19 105.98 3d5c n GLY 47 Ca -0.02 -1.54 -0.06 0.00 0.00 0.00 0.00 46.02 44.40 3d5c n GLY 47 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3d5c s TYR 48 N -2.78 -0.27 -0.19 1.61 -0.85 -1.26 -2.08 117.35 111.53 3d5c s TYR 48 Ca 0.00 0.09 -0.29 0.00 -0.52 0.00 0.00 57.07 56.35 3d5c s TYR 48 Cb 0.00 0.57 0.12 0.00 0.38 0.00 0.00 41.96 43.03 3d5c s TYR 48 CO 0.00 -0.60 1.00 -1.83 -1.52 0.00 0.00 175.55 172.60 3d5c s GLU 49 N -3.11 0.58 0.19 -3.49 -1.05 -1.19 -5.00 118.70 105.63 3d5c s GLU 49 Ca 0.08 0.28 -0.31 0.00 -0.15 0.00 0.00 54.97 54.87 3d5c s GLU 49 Cb -0.01 0.28 -0.10 0.00 -0.44 0.00 0.00 34.13 33.86 3d5c s GLU 49 CO -0.06 -0.15 1.49 1.03 0.95 0.00 0.00 175.26 178.52 3d5c s ARG 50 N -0.71 4.25 0.00 -4.83 3.00 -1.26 -2.22 118.95 117.18 3d5c s ARG 50 Ca -0.01 2.29 0.00 0.00 0.00 0.00 0.00 55.73 58.01 3d5c s ARG 50 Cb -0.02 -3.15 0.00 0.00 0.00 0.00 0.00 34.95 31.78 3d5c s ARG 50 CO -0.00 -0.50 0.00 0.28 0.00 0.00 0.00 175.30 175.07 3d5c n VAL 51 N 3.33 0.00 -4.54 3.52 0.31 -1.09 -4.93 118.33 114.93 3d5c n VAL 51 Ca 0.11 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.21 3d5c n VAL 51 Cb 0.40 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.17 3d5c n VAL 51 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3d5c s ASP 52 N -0.09 1.60 -0.57 4.52 2.15 -1.26 -2.79 116.67 120.23 3d5c s ASP 52 Ca 0.00 -0.26 0.06 0.00 0.43 0.00 0.00 52.55 52.78 3d5c s ASP 52 Cb 0.00 -0.59 0.21 0.00 -0.30 0.00 0.00 42.92 42.24 3d5c s ASP 52 CO 0.00 0.06 0.56 0.52 -0.17 0.00 0.00 175.17 176.14 3d5c n VAL 53 N 3.54 0.96 -3.16 1.11 0.31 -0.86 -4.88 118.33 115.35 3d5c n VAL 53 Ca -0.21 -4.58 -0.13 0.00 -0.01 0.00 0.00 64.34 59.40 3d5c n VAL 53 Cb 0.53 -2.02 0.06 0.00 -0.91 0.00 0.00 33.84 31.49 3d5c n VAL 53 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3d5c n ASP 54 N 1.62 -6.53 -1.15 4.52 8.00 -1.26 -2.97 116.55 118.77 3d5c n ASP 54 Ca 0.25 -0.64 -0.13 0.00 0.71 0.00 0.00 54.79 54.98 3d5c n ASP 54 Cb 0.43 -5.03 -0.04 0.00 -0.02 0.00 0.00 41.12 36.46 3d5c n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d5c n GLY 55 N -1.27 0.99 3.02 0.44 0.00 -1.26 -4.99 105.19 102.11 3d5c n GLY 55 Ca -0.06 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 3d5c n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d5c s LYS 56 N -3.53 1.71 -0.41 1.61 1.02 -1.16 -5.07 119.74 113.91 3d5c s LYS 56 Ca 0.00 -1.58 -0.30 0.00 0.02 0.00 0.00 55.97 54.11 3d5c s LYS 56 Cb 0.00 -2.99 -0.09 0.00 -0.52 0.00 0.00 37.83 34.23 3d5c s LYS 56 CO 0.00 -0.79 2.32 -2.30 -0.92 0.00 0.00 175.35 173.66 3d5c n PRO 57 N 4.38 1.24 -1.15 -1.68 -0.02 -1.26 -2.03 135.00 134.47 3d5c n PRO 57 Ca -0.04 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3d5c n PRO 57 Cb 0.42 -2.92 0.00 0.00 -0.02 0.00 0.00 33.50 30.98 3d5c n PRO 57 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3d5c n TYR 58 N 12.37 -1.34 -3.57 6.00 4.02 -1.12 -0.84 117.16 132.69 3d5c n TYR 58 Ca 0.39 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 58.08 3d5c n TYR 58 Cb 0.38 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.55 3d5c n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3d5c s LEU 59 N 0.00 -0.00 -0.56 7.72 1.43 0.17 -2.69 118.68 124.75 3d5c s LEU 59 Ca 0.00 -0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 52.67 3d5c s LEU 59 Cb 0.00 0.22 0.03 0.00 0.03 0.00 0.00 46.19 46.47 3d5c s LEU 59 CO 0.00 -0.31 1.11 -0.13 0.23 0.00 0.00 176.35 177.25 3d5c s ARG 60 N 2.28 3.48 -0.46 1.70 1.81 -0.94 -2.54 118.95 124.27 3d5c s ARG 60 Ca 0.05 0.13 -0.20 0.00 -1.72 0.00 0.00 55.73 53.99 3d5c s ARG 60 Cb -0.15 -4.01 0.04 0.00 -0.45 0.00 0.00 34.95 30.37 3d5c s ARG 60 CO -0.10 -1.59 0.61 0.08 -0.68 0.00 0.00 175.30 173.62 3d5c s VAL 61 N 4.61 4.88 -0.28 3.52 1.01 -0.09 -3.16 120.40 130.90 3d5c s VAL 61 Ca 0.40 -0.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.93 3d5c s VAL 61 Cb -0.09 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.08 3d5c s VAL 61 CO 0.24 -0.66 0.91 -0.31 0.00 0.00 0.00 175.10 175.29 3d5c s TYR 62 N 2.66 3.24 0.40 5.22 2.02 -0.88 -2.50 117.35 127.51 3d5c s TYR 62 Ca 0.18 1.09 -0.20 0.00 -0.37 0.00 0.00 57.07 57.78 3d5c s TYR 62 Cb -0.16 -3.31 -0.10 0.00 -0.40 0.00 0.00 41.96 37.98 3d5c s TYR 62 CO 0.15 -0.56 0.90 -0.51 -1.57 0.00 0.00 175.55 173.96 3d5c s LEU 63 N 3.15 3.99 -0.02 -1.29 1.43 -0.84 -0.58 118.68 124.52 3d5c s LEU 63 Ca 0.38 1.60 0.05 0.00 -1.03 0.00 0.00 54.13 55.13 3d5c s LEU 63 Cb -0.14 -4.41 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 3d5c s LEU 63 CO 0.11 -0.31 -0.15 -0.75 0.23 0.00 0.00 176.35 175.48 3d5c s LYS 64 N -3.08 2.38 0.13 1.70 2.20 -1.26 -4.59 119.74 117.21 3d5c s LYS 64 Ca 0.60 -0.79 0.02 0.00 -0.36 0.00 0.00 55.97 55.44 3d5c s LYS 64 Cb -0.10 -2.33 -0.01 0.00 -1.51 0.00 0.00 37.83 33.89 3d5c s LYS 64 CO 0.14 0.60 0.06 0.66 -0.36 0.00 0.00 175.35 176.45 3d5c n TYR 65 N 2.00 -0.05 -3.78 4.03 4.02 -1.26 -4.09 117.16 118.03 3d5c n TYR 65 Ca -0.17 -0.88 -0.21 0.00 -0.01 0.00 0.00 57.90 56.64 3d5c n TYR 65 Cb 0.52 0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.87 3d5c n TYR 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3d5c n GLY 66 N 0.82 2.76 3.78 2.72 0.00 -0.35 -4.73 105.19 110.19 3d5c n GLY 66 Ca -0.01 -2.27 -0.32 0.00 0.00 0.00 0.00 46.02 43.42 3d5c n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d5c s PRO 67 N -3.85 2.59 0.44 1.61 0.04 -1.26 -4.25 135.00 130.32 3d5c s PRO 67 Ca 0.26 1.22 -0.25 0.00 0.04 0.00 0.00 61.00 62.28 3d5c s PRO 67 Cb -0.02 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 3d5c s PRO 67 CO 0.17 -1.39 1.28 0.50 0.04 0.00 0.00 177.00 177.60 3d5c s ARG 68 N -4.59 3.81 -0.09 4.56 3.52 -1.26 -3.23 118.95 121.67 3d5c s ARG 68 Ca 0.63 2.09 -0.03 0.00 -0.13 0.00 0.00 55.73 58.28 3d5c s ARG 68 Cb -0.18 -2.62 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 3d5c s ARG 68 CO 0.50 -0.60 0.04 1.03 -0.81 0.00 0.00 175.30 175.46 3d5c s ARG 69 N -2.43 3.11 0.75 5.12 1.81 -1.26 -4.98 118.95 121.08 3d5c s ARG 69 Ca 0.60 -0.33 -0.09 0.00 -1.72 0.00 0.00 55.73 54.19 3d5c s ARG 69 Cb -0.36 -2.91 0.07 0.00 -0.45 0.00 0.00 34.95 31.30 3d5c s ARG 69 CO 0.46 0.72 1.09 -0.65 -0.68 0.00 0.00 175.30 176.24 3d5c s GLN 70 N -0.97 2.11 0.00 3.54 -1.52 -1.26 -4.33 119.66 117.23 3d5c s GLN 70 Ca 0.14 -0.07 0.00 0.00 -1.95 0.00 0.00 55.36 53.48 3d5c s GLN 70 Cb -0.12 -2.07 0.00 0.00 -0.22 0.00 0.00 33.01 30.61 3d5c s GLN 70 CO 0.03 -1.39 0.00 0.41 -0.25 0.00 0.00 175.29 174.09 3d5c n GLY 71 N -3.10 -1.25 3.64 3.09 0.00 -1.26 -4.80 105.19 101.52 3d5c n GLY 71 Ca 0.08 -1.59 -0.57 0.00 0.00 0.00 0.00 46.02 43.94 3d5c n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d5c n PRO 72 N -1.25 0.85 -2.80 1.61 -0.02 -1.26 -3.54 135.00 128.59 3d5c n PRO 72 Ca 0.00 0.31 -0.05 0.00 -2.02 0.00 0.00 63.50 61.74 3d5c n PRO 72 Cb 0.00 -1.93 0.01 0.00 -0.02 0.00 0.00 33.50 31.55 3d5c n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3d5c n ASP 73 N 3.66 -7.99 -4.33 2.55 4.64 -1.26 -4.74 116.55 109.08 3d5c n ASP 73 Ca 0.23 0.91 -0.24 0.00 -1.38 0.00 0.00 54.79 54.31 3d5c n ASP 73 Cb 0.12 -5.35 -0.10 0.00 -1.04 0.00 0.00 41.12 34.75 3d5c n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3d5c n PRO 74 N 0.13 0.47 -2.93 -0.67 -0.04 -1.23 -4.89 135.00 125.84 3d5c n PRO 74 Ca 0.07 -1.75 -0.43 0.00 -0.04 0.00 0.00 63.50 61.35 3d5c n PRO 74 Cb 0.27 -3.59 -0.05 0.00 -0.04 0.00 0.00 33.50 30.10 3d5c n PRO 74 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3d5c s ARG 75 N 7.64 3.47 0.28 0.54 1.81 -1.26 -4.57 118.95 126.86 3d5c s ARG 75 Ca 0.75 0.00 -0.30 0.00 -1.72 0.00 0.00 55.73 54.47 3d5c s ARG 75 Cb 0.01 -3.92 -0.12 0.00 -0.45 0.00 0.00 34.95 30.46 3d5c s ARG 75 CO 0.20 -1.12 1.47 -0.35 -0.68 0.00 0.00 175.30 174.83 3d5c n PRO 76 N 6.80 2.36 -1.61 3.54 -0.04 -1.26 -4.24 135.00 140.55 3d5c n PRO 76 Ca 0.03 0.84 -0.37 0.00 -0.04 0.00 0.00 63.50 63.97 3d5c n PRO 76 Cb 0.48 -2.54 0.08 0.00 -0.04 0.00 0.00 33.50 31.48 3d5c n PRO 76 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3d5c n GLU 77 N 1.78 0.93 -3.54 0.54 4.07 -1.20 -4.79 120.64 118.42 3d5c n GLU 77 Ca 0.09 0.37 -0.39 0.00 -0.06 0.00 0.00 57.16 57.17 3d5c n GLU 77 Cb 0.35 -2.46 -0.11 0.00 -0.06 0.00 0.00 31.44 29.16 3d5c n GLU 77 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 3d5c s GLN 78 N -3.39 3.73 0.11 5.31 -1.52 -1.26 -1.21 119.66 121.44 3d5c s GLN 78 Ca 0.80 -0.45 -0.17 0.00 -1.95 0.00 0.00 55.36 53.60 3d5c s GLN 78 Cb -0.37 -3.73 -0.04 0.00 -0.22 0.00 0.00 33.01 28.65 3d5c s GLN 78 CO 0.43 -0.32 1.61 0.28 -0.25 0.00 0.00 175.29 177.04 3d5c h VAL 79 N 5.43 1.23 -2.59 1.09 2.07 -1.85 -3.28 116.25 118.35 3d5c h VAL 79 Ca -0.33 -0.77 -0.77 0.00 0.82 0.00 0.00 66.70 65.65 3d5c h VAL 79 Cb 1.17 1.07 -0.22 0.00 -1.52 0.00 0.00 31.29 31.79 3d5c h VAL 79 CO 0.60 0.26 1.10 -0.38 0.02 0.00 0.00 177.57 179.17 3d5c n ILE 80 N -4.61 4.51 -0.28 4.57 -0.00 -1.26 -4.86 119.36 117.42 3d5c n ILE 80 Ca -0.01 -5.04 0.11 0.00 -0.00 0.00 0.00 62.75 57.80 3d5c n ILE 80 Cb 0.20 -2.44 0.26 0.00 -0.00 0.00 0.00 39.64 37.66 3d5c n ILE 80 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.55 177.00 3d5c h HIS 81 N 6.55 0.35 -1.74 1.39 3.86 -1.27 -3.43 115.15 120.86 3d5c h HIS 81 Ca 0.27 0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.58 3d5c h HIS 81 Cb 0.80 -0.02 -0.24 0.00 1.06 0.00 0.00 27.41 29.01 3d5c h HIS 81 CO 1.00 -0.16 0.27 -1.58 0.86 0.00 0.00 177.93 178.32 3d5c s HIS 82 N -5.97 -0.71 -0.12 2.45 5.65 0.11 -5.02 115.29 111.68 3d5c s HIS 82 Ca -0.12 1.52 -0.04 0.00 0.25 0.00 0.00 55.06 56.67 3d5c s HIS 82 Cb 0.24 0.42 0.06 0.00 -1.18 0.00 0.00 32.58 32.12 3d5c s HIS 82 CO 0.77 -0.35 0.18 -1.50 -0.65 0.00 0.00 174.74 173.19 3d5c s ILE 83 N 1.01 -0.29 -0.00 0.89 2.07 -1.26 -1.51 121.20 122.11 3d5c s ILE 83 Ca -0.05 0.23 0.01 0.00 -1.41 0.00 0.00 60.65 59.42 3d5c s ILE 83 Cb -0.05 -0.41 -0.00 0.00 0.13 0.00 0.00 42.46 42.14 3d5c s ILE 83 CO -0.12 0.05 -0.02 -0.60 -1.91 0.00 0.00 174.94 172.34 3d5c s ARG 84 N 2.31 0.15 0.48 3.50 3.52 -1.18 -4.93 118.95 122.80 3d5c s ARG 84 Ca 0.04 -0.07 -0.20 0.00 -0.13 0.00 0.00 55.73 55.36 3d5c s ARG 84 Cb -0.13 -0.14 -0.09 0.00 -1.56 0.00 0.00 34.95 33.03 3d5c s ARG 84 CO -0.08 0.04 1.01 0.50 -0.81 0.00 0.00 175.30 175.97 3d5c s ARG 85 N -0.06 3.90 -0.00 5.12 3.52 -1.26 -2.83 118.95 127.34 3d5c s ARG 85 Ca 0.01 1.28 -0.03 0.00 -0.13 0.00 0.00 55.73 56.86 3d5c s ARG 85 Cb -0.01 -2.12 -0.02 0.00 -1.56 0.00 0.00 34.95 31.25 3d5c s ARG 85 CO -0.00 -0.33 -0.06 -0.89 -0.81 0.00 0.00 175.30 173.21 3d5c n ILE 86 N -0.94 0.72 -2.53 4.11 2.08 -0.78 -4.90 119.36 117.11 3d5c n ILE 86 Ca 0.09 0.13 -0.41 0.00 0.56 0.00 0.00 62.75 63.12 3d5c n ILE 86 Cb 0.53 -1.63 -0.03 0.00 -0.75 0.00 0.00 39.64 37.76 3d5c n ILE 86 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 3d5c s SER 87 N -5.68 6.34 0.35 4.38 0.15 -0.41 -4.78 113.70 114.05 3d5c s SER 87 Ca -0.06 -1.11 -0.11 0.00 0.70 0.00 0.00 55.95 55.38 3d5c s SER 87 Cb 0.02 -2.57 -0.07 0.00 -1.71 0.00 0.00 66.02 61.69 3d5c s SER 87 CO 0.08 -1.66 0.71 -0.54 1.20 0.00 0.00 173.24 173.03 3d5c s LYS 88 N 5.30 3.82 0.65 5.44 1.02 -0.68 -4.78 119.74 130.52 3d5c s LYS 88 Ca 0.44 0.44 0.34 0.00 0.02 0.00 0.00 55.97 57.21 3d5c s LYS 88 Cb -0.03 -2.46 1.85 0.00 -0.52 0.00 0.00 37.83 36.67 3d5c s LYS 88 CO -0.02 0.09 2.04 -1.00 -0.92 0.00 0.00 175.35 175.54 3d5c h PRO 89 N 1.72 0.00 0.00 -1.68 0.13 -1.98 -0.18 132.00 130.01 3d5c h PRO 89 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3d5c h PRO 89 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3d5c h PRO 89 CO 0.65 0.00 -0.00 0.78 -0.23 0.00 0.00 178.00 179.20 3d5c h GLY 90 N 0.00 -0.00 -7.54 1.56 0.00 -1.99 -3.42 103.07 91.67 3d5c h GLY 90 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 3d5c h GLY 90 CO 0.00 -0.00 -0.60 -1.60 0.00 0.00 0.00 176.54 174.34 3d5c s ARG 91 N -2.18 1.90 -0.26 4.80 3.52 -0.11 -5.07 118.95 121.55 3d5c s ARG 91 Ca -0.16 -2.14 -0.29 0.00 -0.13 0.00 0.00 55.73 53.02 3d5c s ARG 91 Cb -0.02 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 3d5c s ARG 91 CO 0.57 -1.05 1.74 1.03 -0.81 0.00 0.00 175.30 176.78 3d5c s ARG 92 N 0.54 3.57 -0.53 5.12 1.81 -1.00 -1.68 118.95 126.78 3d5c s ARG 92 Ca 0.13 1.61 -0.18 0.00 -1.72 0.00 0.00 55.73 55.57 3d5c s ARG 92 Cb -0.22 -4.13 0.08 0.00 -0.45 0.00 0.00 34.95 30.23 3d5c s ARG 92 CO -0.04 -1.57 0.61 0.08 -0.68 0.00 0.00 175.30 173.70 3d5c s VAL 93 N 6.06 4.92 -0.22 3.52 1.01 -1.26 -4.99 120.40 129.45 3d5c s VAL 93 Ca 0.77 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 3d5c s VAL 93 Cb -0.25 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 3d5c s VAL 93 CO 0.32 -0.87 0.07 -0.31 0.00 0.00 0.00 175.10 174.32 3d5c s TYR 94 N 2.46 3.16 0.18 5.22 2.02 -1.26 -1.50 117.35 127.63 3d5c s TYR 94 Ca 0.12 -0.15 0.10 0.00 -0.37 0.00 0.00 57.07 56.77 3d5c s TYR 94 Cb -0.22 -2.17 -0.04 0.00 -0.40 0.00 0.00 41.96 39.13 3d5c s TYR 94 CO 0.09 -0.10 -0.17 0.14 -1.57 0.00 0.00 175.55 173.94 3d5c s VAL 95 N 1.04 2.78 0.59 0.71 -7.23 -0.99 -4.99 120.40 112.31 3d5c s VAL 95 Ca 0.04 -1.81 -0.02 0.00 -1.81 0.00 0.00 61.98 58.38 3d5c s VAL 95 Cb -0.14 -2.35 0.03 0.00 0.56 0.00 0.00 36.38 34.48 3d5c s VAL 95 CO 0.03 -0.09 0.85 -0.83 -0.31 0.00 0.00 175.10 174.75 3d5c s GLY 96 N -2.69 1.72 0.10 2.32 0.00 -1.26 -2.50 107.32 105.01 3d5c s GLY 96 Ca 0.22 -1.08 -0.27 0.00 0.00 0.00 0.00 44.72 43.59 3d5c s GLY 96 CO 0.12 -0.78 1.65 -0.24 0.00 0.00 0.00 173.10 173.85 3d5c h VAL 97 N -0.12 0.48 -0.75 1.40 3.04 -1.92 -1.92 116.25 116.47 3d5c h VAL 97 Ca -0.44 0.00 -0.40 0.00 -1.01 0.00 0.00 66.70 64.85 3d5c h VAL 97 Cb 1.29 0.48 -0.15 0.00 -2.01 0.00 0.00 31.29 30.91 3d5c h VAL 97 CO 0.56 0.00 0.23 0.29 -1.01 0.00 0.00 177.57 177.65 3d5c n LYS 98 N -5.36 2.20 0.00 4.17 5.02 -1.26 -3.22 118.16 119.71 3d5c n LYS 98 Ca -0.07 -1.91 0.00 0.00 -2.02 0.00 0.00 58.31 54.30 3d5c n LYS 98 Cb 0.27 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 3d5c n LYS 98 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3d5c n GLU 99 N 1.13 4.94 -1.65 1.97 1.02 -0.75 -5.09 120.64 122.21 3d5c n GLU 99 Ca 0.44 0.00 -0.51 0.00 -0.02 0.00 0.00 57.16 57.07 3d5c n GLU 99 Cb 0.63 -0.41 -0.06 0.00 -0.02 0.00 0.00 31.44 31.58 3d5c n GLU 99 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3d5c n ILE 100 N -0.00 0.14 -1.13 -3.67 5.41 -1.02 -4.87 119.36 114.22 3d5c n ILE 100 Ca 0.00 -0.03 -0.31 0.00 1.00 0.00 0.00 62.75 63.41 3d5c n ILE 100 Cb 0.00 -1.22 0.11 0.00 -0.71 0.00 0.00 39.64 37.82 3d5c n ILE 100 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3d5c s PRO 101 N 1.72 1.97 -0.54 0.38 0.02 -1.26 -5.02 135.00 132.27 3d5c s PRO 101 Ca 0.87 1.26 -0.03 0.00 0.02 0.00 0.00 61.00 63.12 3d5c s PRO 101 Cb -0.88 -1.86 0.14 0.00 0.02 0.00 0.00 34.50 31.93 3d5c s PRO 101 CO 0.49 -1.87 0.36 1.03 -0.33 0.00 0.00 177.00 176.68 3d5c s ARG 102 N -4.83 2.37 -0.18 5.54 3.00 -1.26 -4.87 118.95 118.72 3d5c s ARG 102 Ca 0.63 -2.25 -0.31 0.00 0.00 0.00 0.00 55.73 53.79 3d5c s ARG 102 Cb -0.18 -3.69 -0.09 0.00 0.00 0.00 0.00 34.95 30.99 3d5c s ARG 102 CO 0.56 -1.14 2.10 0.28 0.00 0.00 0.00 175.30 177.11 3d5c n VAL 103 N 3.93 0.42 -4.16 3.52 0.31 -1.26 -2.79 118.33 118.31 3d5c n VAL 103 Ca 0.04 -0.29 -0.39 0.00 -0.01 0.00 0.00 64.34 63.69 3d5c n VAL 103 Cb 0.39 -2.16 -0.03 0.00 -0.91 0.00 0.00 33.84 31.13 3d5c n VAL 103 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3d5c n ARG 104 N 7.97 -0.72 -3.88 5.55 0.63 -1.26 -0.72 116.66 124.23 3d5c n ARG 104 Ca 0.29 0.11 -0.24 0.00 -0.92 0.00 0.00 57.85 57.09 3d5c n ARG 104 Cb 0.36 -3.11 -0.00 0.00 0.45 0.00 0.00 32.46 30.15 3d5c n ARG 104 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3d5c n ARG 105 N -4.81 -3.80 0.00 -0.14 5.12 -1.12 -1.84 116.66 110.07 3d5c n ARG 105 Ca -0.21 0.47 0.00 0.00 -1.93 0.00 0.00 57.85 56.18 3d5c n ARG 105 Cb 0.63 -4.75 0.00 0.00 -1.16 0.00 0.00 32.46 27.18 3d5c n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3d5c n GLY 106 N -1.85 2.45 0.36 -0.13 0.00 -0.76 -4.81 105.19 100.45 3d5c n GLY 106 Ca -0.30 -0.26 0.18 0.00 0.00 0.00 0.00 46.02 45.64 3d5c n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3d5c h LEU 107 N 0.00 0.00 0.00 0.99 3.38 -1.33 -3.42 115.31 114.93 3d5c h LEU 107 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 3d5c h LEU 107 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3d5c h LEU 107 CO 0.00 0.00 -0.25 0.61 0.09 0.00 0.00 178.44 178.89 3d5c n GLY 108 N -1.37 2.99 2.95 0.83 0.00 0.10 -4.86 105.19 105.84 3d5c n GLY 108 Ca 0.03 -2.29 -0.11 0.00 0.00 0.00 0.00 46.02 43.66 3d5c n GLY 108 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3d5c s ILE 109 N -2.20 0.13 -0.54 -0.61 2.07 0.44 -4.56 121.20 115.93 3d5c s ILE 109 Ca 0.19 -0.61 -0.01 0.00 -1.41 0.00 0.00 60.65 58.81 3d5c s ILE 109 Cb -0.02 -0.22 0.14 0.00 0.13 0.00 0.00 42.46 42.50 3d5c s ILE 109 CO 0.12 -0.31 0.33 0.00 -1.91 0.00 0.00 174.94 173.18 3d5c s ALA 110 N -0.94 3.40 -0.20 1.50 0.00 -1.26 0.01 121.76 124.27 3d5c s ALA 110 Ca -0.10 -3.09 -0.29 0.00 0.00 0.00 0.00 51.96 48.49 3d5c s ALA 110 Cb -0.07 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 3d5c s ALA 110 CO -0.01 -2.00 1.86 0.42 0.00 0.00 0.00 175.76 176.03 3d5c s ILE 111 N 0.16 3.38 0.06 0.00 1.01 0.42 -2.40 121.20 123.83 3d5c s ILE 111 Ca 0.15 0.42 0.01 0.00 0.00 0.00 0.00 60.65 61.22 3d5c s ILE 111 Cb -0.22 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 3d5c s ILE 111 CO -0.03 -0.20 -0.05 -1.48 0.00 0.00 0.00 174.94 173.18 3d5c s LEU 112 N 6.19 2.41 -0.68 2.97 0.05 -1.13 -0.95 118.68 127.54 3d5c s LEU 112 Ca 0.83 -0.83 -0.17 0.00 0.05 0.00 0.00 54.13 54.00 3d5c s LEU 112 Cb -0.29 0.03 0.14 0.00 -2.05 0.00 0.00 46.19 44.01 3d5c s LEU 112 CO 0.33 -0.43 0.74 -0.55 -0.55 0.00 0.00 176.35 175.89 3d5c s SER 113 N -2.46 6.37 1.07 1.48 0.15 0.45 -2.75 113.70 118.01 3d5c s SER 113 Ca 0.01 -1.85 -0.14 0.00 0.70 0.00 0.00 55.95 54.68 3d5c s SER 113 Cb 0.01 -2.28 0.22 0.00 -1.71 0.00 0.00 66.02 62.26 3d5c s SER 113 CO -0.05 -0.95 1.09 0.42 1.20 0.00 0.00 173.24 174.95 3d5c s THR 114 N 1.97 1.90 -2.03 6.45 -4.23 0.46 -1.97 115.64 118.20 3d5c s THR 114 Ca 0.14 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 60.92 3d5c s THR 114 Cb -0.19 -2.46 0.74 0.00 1.34 0.00 0.00 72.50 71.92 3d5c s THR 114 CO 0.00 0.00 2.00 -1.54 -0.54 0.00 0.00 174.62 174.54 3d5c n SER 115 N -4.40 0.13 -0.23 3.99 3.41 -1.20 -3.29 113.62 112.04 3d5c n SER 115 Ca 0.07 -1.20 0.02 0.00 -0.26 0.00 0.00 58.87 57.49 3d5c n SER 115 Cb 0.58 -0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.55 3d5c n SER 115 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3d5c n LYS 116 N -0.82 0.51 0.00 4.33 0.00 -1.26 -5.12 118.16 115.81 3d5c n LYS 116 Ca 0.20 -1.14 0.00 0.00 0.00 0.00 0.00 58.31 57.37 3d5c n LYS 116 Cb 0.11 -0.70 0.00 0.00 0.00 0.00 0.00 35.03 34.44 3d5c n LYS 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3d5c n GLY 117 N -0.27 0.57 2.88 3.14 0.00 -1.21 -5.07 105.19 105.23 3d5c n GLY 117 Ca 0.02 -1.43 -0.23 0.00 0.00 0.00 0.00 46.02 44.39 3d5c n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d5c s VAL 118 N -4.00 0.68 0.26 1.61 1.01 -1.26 -0.40 120.40 118.30 3d5c s VAL 118 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3d5c s VAL 118 Cb 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 3d5c s VAL 118 CO 0.00 0.28 0.05 -0.76 0.00 0.00 0.00 175.10 174.67 3d5c s LEU 119 N 1.29 1.96 0.88 3.92 1.43 -1.11 -4.94 118.68 122.12 3d5c s LEU 119 Ca -0.05 -1.32 -0.13 0.00 -1.03 0.00 0.00 54.13 51.60 3d5c s LEU 119 Cb -0.14 -0.17 0.15 0.00 0.03 0.00 0.00 46.19 46.07 3d5c s LEU 119 CO -0.02 -0.62 1.24 0.42 0.23 0.00 0.00 176.35 177.59 3d5c s THR 120 N -3.54 2.03 0.41 5.49 -4.23 -1.26 -2.85 115.64 111.69 3d5c s THR 120 Ca 0.34 -0.07 0.14 0.00 -1.18 0.00 0.00 61.69 60.92 3d5c s THR 120 Cb 0.07 -2.96 0.34 0.00 1.34 0.00 0.00 72.50 71.29 3d5c s THR 120 CO 0.12 0.00 1.92 -2.24 -0.54 0.00 0.00 174.62 173.88 3d5c h ASP 121 N -1.33 0.44 0.07 3.99 2.03 -1.81 -0.27 116.42 119.55 3d5c h ASP 121 Ca -0.44 0.02 -0.35 0.00 -0.73 0.00 0.00 57.03 55.53 3d5c h ASP 121 Cb 1.27 -0.07 -0.03 0.00 -0.83 0.00 0.00 39.33 39.67 3d5c h ASP 121 CO 0.47 0.24 -1.98 0.54 -1.03 0.00 0.00 179.24 177.47 3d5c n ARG 122 N -4.49 0.69 -0.28 4.15 1.74 -1.26 -3.93 116.66 113.29 3d5c n ARG 122 Ca 0.14 0.30 0.02 0.00 -0.77 0.00 0.00 57.85 57.54 3d5c n ARG 122 Cb 0.48 -1.67 0.15 0.00 -1.02 0.00 0.00 32.46 30.40 3d5c n ARG 122 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3d5c h GLU 123 N -0.21 0.73 -0.46 5.56 5.08 -1.84 0.13 114.58 123.58 3d5c h GLU 123 Ca -0.46 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 3d5c h GLU 123 Cb 1.85 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.91 3d5c h GLU 123 CO -0.03 0.49 0.11 0.00 -1.00 0.00 0.00 179.01 178.57 3d5c h ALA 124 N 1.43 1.33 -0.25 3.43 0.00 -1.25 -2.13 119.26 121.84 3d5c h ALA 124 Ca 0.37 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3d5c h ALA 124 Cb 0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3d5c h ALA 124 CO -0.24 0.47 -0.30 -0.09 0.00 0.00 0.00 179.25 179.09 3d5c h ARG 125 N 0.67 0.64 0.01 0.00 2.43 -1.14 -2.09 114.38 114.90 3d5c h ARG 125 Ca 0.15 -0.36 0.01 0.00 -0.81 0.00 0.00 59.98 58.97 3d5c h ARG 125 Cb 0.26 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3d5c h ARG 125 CO -0.00 0.97 -0.07 -0.22 -1.51 0.00 0.00 179.97 179.14 3d5c h LYS 126 N 0.36 -0.12 0.00 0.20 3.64 -0.58 -1.35 116.57 118.71 3d5c h LYS 126 Ca 0.03 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3d5c h LYS 126 Cb 0.88 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3d5c h LYS 126 CO 0.07 -0.08 0.00 -0.07 -2.27 0.00 0.00 179.45 177.10 3d5c h LEU 127 N -0.13 0.00 -2.40 5.20 -0.00 -1.43 -3.47 115.31 113.09 3d5c h LEU 127 Ca 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.83 3d5c h LEU 127 Cb 0.16 0.00 0.05 0.00 -0.00 0.00 0.00 40.66 40.87 3d5c h LEU 127 CO -0.06 0.00 -0.22 0.61 -0.00 0.00 0.00 178.44 178.77 3d5c n GLY 128 N -0.51 0.29 3.39 0.83 0.00 -0.51 -5.08 105.19 103.60 3d5c n GLY 128 Ca -0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 3d5c n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d5c s VAL 129 N -3.10 0.04 0.41 1.61 -7.23 -0.83 -5.00 120.40 106.29 3d5c s VAL 129 Ca 0.06 -1.44 0.04 0.00 -1.81 0.00 0.00 61.98 58.83 3d5c s VAL 129 Cb -0.01 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.88 3d5c s VAL 129 CO 0.20 -0.18 0.04 -0.83 -0.31 0.00 0.00 175.10 174.02 3d5c s GLY 130 N -3.00 2.51 -0.01 2.32 0.00 -1.26 -4.32 107.32 103.57 3d5c s GLY 130 Ca 0.21 -1.62 -0.06 0.00 0.00 0.00 0.00 44.72 43.24 3d5c s GLY 130 CO 0.04 -1.99 0.28 0.61 0.00 0.00 0.00 173.10 172.04 3d5c n GLY 131 N -0.94 0.49 3.66 0.20 0.00 -1.04 -3.21 105.19 104.35 3d5c n GLY 131 Ca -0.08 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 3d5c n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3d5c s GLU 132 N -2.00 4.16 -0.94 1.61 2.12 -0.83 -2.34 118.70 120.47 3d5c s GLU 132 Ca 0.07 1.78 -0.24 0.00 0.36 0.00 0.00 54.97 56.94 3d5c s GLU 132 Cb -0.00 -3.86 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 3d5c s GLU 132 CO -0.00 -0.83 1.89 -1.17 -0.54 0.00 0.00 175.26 174.61 3d5c s LEU 133 N 3.87 3.20 0.08 2.70 0.20 -0.56 -0.41 118.68 127.76 3d5c s LEU 133 Ca 0.62 -0.86 -0.36 0.00 0.69 0.00 0.00 54.13 54.22 3d5c s LEU 133 Cb -0.25 -2.56 -0.17 0.00 -0.43 0.00 0.00 46.19 42.78 3d5c s LEU 133 CO 0.21 -2.61 1.57 0.40 -0.29 0.00 0.00 176.35 175.62 3d5c h ILE 134 N 7.10 0.04 -1.89 6.68 1.08 -1.72 -1.09 117.51 127.72 3d5c h ILE 134 Ca 0.12 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 64.85 3d5c h ILE 134 Cb 1.00 0.04 -0.10 0.00 -3.07 0.00 0.00 36.82 34.69 3d5c h ILE 134 CO 1.24 0.00 0.69 0.00 -0.69 0.00 0.00 178.15 179.39 3d5c s GLU 136 N -2.70 1.84 -0.07 0.00 4.04 -1.13 -0.44 118.70 120.25 3d5c s GLU 136 Ca 0.15 -1.54 -0.04 0.00 0.04 0.00 0.00 54.97 53.58 3d5c s GLU 136 Cb 0.02 -1.95 0.03 0.00 0.02 0.00 0.00 34.13 32.25 3d5c s GLU 136 CO -0.01 0.38 0.17 0.08 -1.84 0.00 0.00 175.26 174.04 3d5c s VAL 137 N -2.10 -0.03 0.00 1.83 1.01 0.10 -3.08 120.40 118.12 3d5c s VAL 137 Ca 0.27 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.36 3d5c s VAL 137 Cb -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.04 3d5c s VAL 137 CO 0.15 0.04 0.00 -2.67 0.00 0.00 0.00 175.10 172.62