#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw s LYS 2 N 0.00 2.67 -0.15 4.33 -0.14 -1.26 -4.99 119.74 120.20 3cpw s LYS 2 Ca 0.00 1.24 0.01 0.00 -1.36 0.00 0.00 55.97 55.86 3cpw s LYS 2 Cb 0.00 -1.94 -0.10 0.00 -1.68 0.00 0.00 37.83 34.11 3cpw s LYS 2 CO 0.00 -1.33 -0.14 2.41 -0.76 0.00 0.00 175.35 175.53 3cpw n THR 3 N -2.86 0.89 -1.99 2.17 -1.04 -1.26 -4.96 114.28 105.23 3cpw n THR 3 Ca 0.09 -0.34 -0.43 0.00 -2.04 0.00 0.00 64.05 61.34 3cpw n THR 3 Cb 0.53 -1.06 -0.03 0.00 -1.82 0.00 0.00 70.33 67.95 3cpw n THR 3 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3cpw s ASN 4 N -5.52 6.43 0.44 8.00 3.84 -1.26 -4.90 114.94 121.98 3cpw s ASN 4 Ca -0.21 2.00 0.11 0.00 0.21 0.00 0.00 52.86 54.97 3cpw s ASN 4 Cb 0.05 -2.53 0.98 0.00 -0.55 0.00 0.00 41.25 39.20 3cpw s ASN 4 CO 0.36 -1.15 2.05 -0.65 -2.79 0.00 0.00 177.10 174.92 3cpw h PRO 5 N 10.56 0.29 -0.05 0.43 0.11 -1.99 -2.06 132.00 139.29 3cpw h PRO 5 Ca -0.38 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.65 3cpw h PRO 5 Cb 1.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3cpw h PRO 5 CO 0.97 0.24 -0.19 0.00 -0.21 0.00 0.00 178.00 178.82 3cpw h ARG 6 N 0.29 0.21 0.00 1.05 3.08 -1.99 -1.55 114.38 115.47 3cpw h ARG 6 Ca 0.07 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3cpw h ARG 6 Cb 0.06 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3cpw h ARG 6 CO -0.01 0.80 -0.08 1.25 -1.07 0.00 0.00 179.97 180.87 3cpw h LEU 7 N -0.33 0.00 -0.31 3.04 5.85 -1.94 0.26 115.31 121.88 3cpw h LEU 7 Ca -0.01 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 3cpw h LEU 7 Cb 0.83 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3cpw h LEU 7 CO 0.04 0.08 -0.25 -1.28 -0.34 0.00 0.00 178.44 176.68 3cpw h SER 8 N 0.00 0.76 -0.19 1.25 0.87 -1.22 -2.76 113.55 112.26 3cpw h SER 8 Ca -0.00 -0.45 -0.16 0.00 -1.23 0.00 0.00 61.79 59.95 3cpw h SER 8 Cb 0.15 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 3cpw h SER 8 CO 0.01 1.05 -0.51 0.28 -0.53 0.00 0.00 176.83 177.13 3cpw h SER 9 N 0.48 0.77 -0.93 6.23 0.02 -0.08 -2.75 113.55 117.28 3cpw h SER 9 Ca 0.06 -0.58 0.13 0.00 -0.84 0.00 0.00 61.79 60.55 3cpw h SER 9 Cb 0.81 -0.22 -0.07 0.00 0.14 0.00 0.00 62.40 63.05 3cpw h SER 9 CO 0.07 1.21 0.59 0.25 -1.14 0.00 0.00 176.83 177.81 3cpw h LEU 10 N 0.36 0.78 -0.70 5.07 5.85 -0.58 0.21 115.31 126.30 3cpw h LEU 10 Ca -0.01 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 3cpw h LEU 10 Cb 1.12 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 3cpw h LEU 10 CO 0.11 0.41 -0.47 0.40 -0.34 0.00 0.00 178.44 178.55 3cpw h ILE 11 N 0.84 1.32 -0.27 4.05 2.04 -1.42 0.26 117.51 124.33 3cpw h ILE 11 Ca 0.46 -1.67 -0.07 0.00 1.00 0.00 0.00 64.86 64.57 3cpw h ILE 11 Cb 0.58 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 3cpw h ILE 11 CO -0.22 0.51 -0.12 0.00 0.00 0.00 0.00 178.15 178.32 3cpw h ALA 12 N 1.15 0.38 -0.22 1.87 0.00 -0.68 -2.23 119.26 119.53 3cpw h ALA 12 Ca 0.02 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 3cpw h ALA 12 Cb 0.96 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3cpw h ALA 12 CO 0.08 0.24 -0.21 -0.44 0.00 0.00 0.00 179.25 178.93 3cpw h ASP 13 N 0.29 0.38 -0.11 0.00 3.32 -0.52 -1.37 116.42 118.43 3cpw h ASP 13 Ca 0.06 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 3cpw h ASP 13 Cb 0.63 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3cpw h ASP 13 CO 0.04 0.61 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.85 3cpw h LEU 14 N 0.35 0.55 -0.18 1.55 3.38 -0.82 -2.50 115.31 117.64 3cpw h LEU 14 Ca 0.06 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 3cpw h LEU 14 Cb 0.57 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3cpw h LEU 14 CO 0.04 0.79 -0.26 0.11 0.09 0.00 0.00 178.44 179.20 3cpw h LYS 15 N 0.48 0.50 -0.70 1.13 1.57 -0.88 -2.17 116.57 116.51 3cpw h LYS 15 Ca 0.07 -0.30 0.07 0.00 -1.87 0.00 0.00 60.65 58.63 3cpw h LYS 15 Cb 0.68 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 3cpw h LYS 15 CO 0.05 0.89 0.37 1.03 -0.57 0.00 0.00 179.45 181.22 3cpw h SER 16 N 0.16 0.53 -0.07 0.86 0.87 -1.16 -1.31 113.55 113.43 3cpw h SER 16 Ca 0.02 0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.47 3cpw h SER 16 Cb 0.84 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 3cpw h SER 16 CO 0.06 0.32 -0.47 0.00 -0.53 0.00 0.00 176.83 176.21 3cpw h ALA 17 N 1.39 0.73 -0.05 6.23 0.00 -1.43 -0.93 119.26 125.20 3cpw h ALA 17 Ca 0.33 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 3cpw h ALA 17 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3cpw h ALA 17 CO -0.22 0.67 -0.53 0.00 0.00 0.00 0.00 179.25 179.17 3cpw h ALA 18 N 0.98 1.02 0.08 0.00 0.00 -0.89 -1.44 119.26 119.02 3cpw h ALA 18 Ca 0.03 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 3cpw h ALA 18 Cb 1.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3cpw h ALA 18 CO 0.09 0.68 -0.76 0.00 0.00 0.00 0.00 179.25 179.25 3cpw h ARG 19 N 0.10 0.17 0.29 0.00 3.08 -1.22 -3.36 114.38 113.45 3cpw h ARG 19 Ca -0.00 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 3cpw h ARG 19 Cb 0.98 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3cpw h ARG 19 CO 0.08 1.14 -0.14 0.77 -1.07 0.00 0.00 179.97 180.74 3cpw h SER 20 N -0.60 -0.33 -4.00 7.04 0.02 -1.22 -3.45 113.55 111.00 3cpw h SER 20 Ca -0.16 0.01 -0.44 0.00 -0.84 0.00 0.00 61.79 60.36 3cpw h SER 20 Cb 1.45 0.09 0.16 0.00 0.14 0.00 0.00 62.40 64.23 3cpw h SER 20 CO 0.05 -0.08 0.32 -0.44 -1.14 0.00 0.00 176.83 175.54 3cpw s SER 21 N -3.91 2.78 0.00 3.07 0.01 -0.54 -4.91 113.70 110.20 3cpw s SER 21 Ca -0.06 0.58 0.06 0.00 1.31 0.00 0.00 55.95 57.85 3cpw s SER 21 Cb 0.01 -0.86 0.34 0.00 0.21 0.00 0.00 66.02 65.72 3cpw s SER 21 CO 0.17 -2.97 1.12 0.61 0.41 0.00 0.00 173.24 172.59 3cpw n GLY 22 N -2.61 -0.89 3.69 3.44 0.00 -1.26 -4.62 105.19 102.94 3cpw n GLY 22 Ca 0.12 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3cpw n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cpw n GLY 23 N 0.47 0.75 0.00 -0.02 0.00 -1.22 -4.92 105.19 100.25 3cpw n GLY 23 Ca 0.04 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.47 3cpw n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cpw n ALA 24 N 1.17 1.98 -0.14 4.61 0.00 -1.26 -4.47 120.51 122.40 3cpw n ALA 24 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 3cpw n ALA 24 Cb 0.34 0.25 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 3cpw n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3cpw h VAL 25 N 0.00 1.20 -0.46 0.00 -1.51 -1.91 -1.20 116.25 112.37 3cpw h VAL 25 Ca 0.00 -0.62 0.06 0.00 -1.23 0.00 0.00 66.70 64.91 3cpw h VAL 25 Cb 0.98 0.85 -0.05 0.00 -2.13 0.00 0.00 31.29 30.94 3cpw h VAL 25 CO 0.00 0.22 0.17 -0.50 -1.23 0.00 0.00 177.57 176.24 3cpw h TRP 26 N 0.51 0.31 0.00 5.19 -0.00 -1.86 1.15 115.95 121.24 3cpw h TRP 26 Ca 0.13 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 59.04 3cpw h TRP 26 Cb 0.20 -0.07 -0.00 0.00 -0.00 0.00 0.00 29.16 29.29 3cpw h TRP 26 CO 0.00 0.12 -0.02 0.78 -0.00 0.00 0.00 178.44 179.31 3cpw h GLY 27 N 0.35 0.00 0.72 1.49 0.00 -1.69 0.12 103.07 104.07 3cpw h GLY 27 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.37 3cpw h GLY 27 CO -0.21 0.00 -0.76 -1.80 0.00 0.00 0.00 176.54 173.77 3cpw h ASP 28 N 0.00 0.49 0.28 0.19 3.58 0.34 -2.54 116.42 118.76 3cpw h ASP 28 Ca -0.00 -0.90 -0.11 0.00 0.42 0.00 0.00 57.03 56.44 3cpw h ASP 28 Cb 0.60 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 3cpw h ASP 28 CO 0.00 1.35 -0.45 0.58 -2.88 0.00 0.00 179.24 177.84 3cpw h VAL 29 N -0.29 1.33 -0.43 2.25 2.07 0.15 -2.56 116.25 118.76 3cpw h VAL 29 Ca -0.12 -1.61 -0.07 0.00 0.82 0.00 0.00 66.70 65.72 3cpw h VAL 29 Cb 1.56 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.07 3cpw h VAL 29 CO 0.14 0.48 0.02 0.00 0.02 0.00 0.00 177.57 178.23 3cpw h ALA 30 N 1.36 0.58 -0.41 1.67 0.00 -0.79 -1.90 119.26 119.77 3cpw h ALA 30 Ca 0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3cpw h ALA 30 Cb 0.87 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3cpw h ALA 30 CO 0.07 0.36 -0.04 0.93 0.00 0.00 0.00 179.25 180.56 3cpw h GLU 31 N 0.60 0.68 -0.01 0.00 5.08 -1.23 -1.85 114.58 117.84 3cpw h GLU 31 Ca 0.12 -0.19 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 3cpw h GLU 31 Cb 0.47 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3cpw h GLU 31 CO 0.02 0.73 -0.65 -0.09 -1.00 0.00 0.00 179.01 178.02 3cpw h ARG 32 N 0.64 0.05 0.00 2.33 9.65 -1.29 -2.87 114.38 122.88 3cpw h ARG 32 Ca 0.12 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.93 3cpw h ARG 32 Cb 0.46 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 3cpw h ARG 32 CO 0.02 0.68 -0.18 -0.07 2.80 0.00 0.00 179.97 183.21 3cpw h LEU 33 N 0.03 0.00 -0.10 3.80 3.38 -0.97 -2.87 115.31 118.59 3cpw h LEU 33 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3cpw h LEU 33 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3cpw h LEU 33 CO 0.09 0.18 0.00 -0.62 0.09 0.00 0.00 178.44 178.18 3cpw n GLU 34 N -3.20 0.23 -2.06 1.13 1.02 -0.73 -4.81 120.64 112.22 3cpw n GLU 34 Ca 0.02 0.22 -0.28 0.00 -0.02 0.00 0.00 57.16 57.10 3cpw n GLU 34 Cb 0.53 -1.78 0.06 0.00 -0.02 0.00 0.00 31.44 30.22 3cpw n GLU 34 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3cpw s LYS 35 N -3.12 2.57 0.34 3.49 1.02 -1.08 -5.00 119.74 117.96 3cpw s LYS 35 Ca 0.10 0.16 -0.26 0.00 0.02 0.00 0.00 55.97 55.99 3cpw s LYS 35 Cb 0.12 -2.09 -0.13 0.00 -0.52 0.00 0.00 37.83 35.22 3cpw s LYS 35 CO 0.56 -1.11 0.95 -2.30 -0.92 0.00 0.00 175.35 172.52 3cpw n PRO 36 N -2.96 1.24 -0.32 -1.68 -0.02 -1.26 -4.83 135.00 125.16 3cpw n PRO 36 Ca 0.07 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 62.10 3cpw n PRO 36 Cb 0.59 -1.85 0.29 0.00 -0.02 0.00 0.00 33.50 32.51 3cpw n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cpw h ARG 37 N 1.69 0.56 -0.09 -0.52 3.08 -1.94 0.61 114.38 117.78 3cpw h ARG 37 Ca -0.41 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 59.63 3cpw h ARG 37 Cb 1.35 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 3cpw h ARG 37 CO 0.58 0.37 0.15 0.07 -1.07 0.00 0.00 179.97 180.07 3cpw h ARG 38 N 0.58 0.00 0.00 0.04 0.11 -2.01 0.07 114.38 113.18 3cpw h ARG 38 Ca 0.54 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.55 3cpw h ARG 38 Cb 0.91 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.97 3cpw h ARG 38 CO -0.43 0.00 -0.66 1.79 0.10 0.00 0.00 179.97 180.77 3cpw h THR 39 N 0.00 0.38 -3.91 0.08 1.35 -1.21 -3.47 112.91 106.13 3cpw h THR 39 Ca 0.04 -1.59 -0.54 0.00 -0.55 0.00 0.00 66.41 63.77 3cpw h THR 39 Cb 0.34 2.03 0.18 0.00 -1.73 0.00 0.00 68.15 68.98 3cpw h THR 39 CO -0.00 0.21 0.12 1.41 -0.25 0.00 0.00 175.52 177.02 3cpw n HIS 40 N -3.01 0.69 -2.46 4.73 8.25 0.01 -4.93 115.22 118.49 3cpw n HIS 40 Ca -0.00 0.38 -0.38 0.00 -0.26 0.00 0.00 57.72 57.46 3cpw n HIS 40 Cb 0.66 -2.06 -0.04 0.00 1.12 0.00 0.00 29.99 29.68 3cpw n HIS 40 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3cpw s ALA 41 N -2.03 3.24 -0.39 -1.41 0.00 -1.18 -4.93 121.76 115.07 3cpw s ALA 41 Ca 0.71 0.84 0.01 0.00 0.00 0.00 0.00 51.96 53.52 3cpw s ALA 41 Cb -0.31 -3.32 0.14 0.00 0.00 0.00 0.00 23.12 19.63 3cpw s ALA 41 CO 0.53 -0.25 0.22 -1.21 0.00 0.00 0.00 175.76 175.04 3cpw s GLU 42 N -2.00 0.87 -0.09 0.00 2.02 -1.26 -0.25 118.70 117.99 3cpw s GLU 42 Ca 0.52 -1.60 -0.01 0.00 0.02 0.00 0.00 54.97 53.89 3cpw s GLU 42 Cb -0.28 -1.78 -0.03 0.00 0.10 0.00 0.00 34.13 32.14 3cpw s GLU 42 CO 0.36 -1.18 -0.02 0.08 0.02 0.00 0.00 175.26 174.52 3cpw s VAL 43 N 0.79 4.12 0.34 2.63 1.01 -0.75 -4.93 120.40 123.62 3cpw s VAL 43 Ca 0.17 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3cpw s VAL 43 Cb -0.23 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3cpw s VAL 43 CO -0.01 0.59 0.53 0.20 0.00 0.00 0.00 175.10 176.42 3cpw s ASN 44 N -0.75 6.22 0.24 3.32 0.01 -1.26 0.10 114.94 122.83 3cpw s ASN 44 Ca 0.12 0.34 -0.04 0.00 -0.71 0.00 0.00 52.86 52.56 3cpw s ASN 44 Cb -0.11 -1.90 0.39 0.00 0.41 0.00 0.00 41.25 40.04 3cpw s ASN 44 CO 0.02 -0.32 1.82 -0.07 -1.51 0.00 0.00 177.10 177.03 3cpw h LEU 45 N 0.77 0.70 -1.84 0.60 3.38 -0.79 -2.27 115.31 115.86 3cpw h LEU 45 Ca -0.49 0.04 0.39 0.00 0.09 0.00 0.00 57.88 57.91 3cpw h LEU 45 Cb 1.23 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 3cpw h LEU 45 CO 0.60 0.41 0.94 1.23 0.09 0.00 0.00 178.44 181.72 3cpw h GLY 46 N 0.82 0.32 1.64 0.83 0.00 -1.69 0.17 103.07 105.16 3cpw h GLY 46 Ca 0.40 -0.04 -0.25 0.00 0.00 0.00 0.00 47.33 47.44 3cpw h GLY 46 CO -0.24 -0.07 -1.25 -0.09 0.00 0.00 0.00 176.54 174.90 3cpw h ARG 47 N 0.06 0.06 -0.27 4.80 2.43 -1.73 -3.00 114.38 116.73 3cpw h ARG 47 Ca 0.67 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.66 3cpw h ARG 47 Cb 2.51 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 32.09 3cpw h ARG 47 CO -0.10 0.93 -0.15 0.82 -1.51 0.00 0.00 179.97 179.96 3cpw h ILE 48 N 0.02 1.30 -0.70 1.20 2.04 -0.76 -2.80 117.51 117.80 3cpw h ILE 48 Ca -0.11 -1.26 0.01 0.00 1.00 0.00 0.00 64.86 64.50 3cpw h ILE 48 Cb 1.88 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 39.45 3cpw h ILE 48 CO 0.13 0.40 0.47 -0.08 0.00 0.00 0.00 178.15 179.06 3cpw h GLU 49 N 0.32 0.91 0.00 2.37 4.57 -1.37 -0.38 114.58 121.00 3cpw h GLU 49 Ca 0.06 -0.05 -0.18 0.00 -1.18 0.00 0.00 59.36 58.01 3cpw h GLU 49 Cb 0.67 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 3cpw h GLU 49 CO 0.04 0.60 -0.83 -0.09 -1.18 0.00 0.00 179.01 177.56 3cpw h ARG 50 N 0.94 0.07 0.00 1.92 2.43 -1.42 -3.37 114.38 114.96 3cpw h ARG 50 Ca 0.26 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3cpw h ARG 50 Cb -0.09 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3cpw h ARG 50 CO -0.06 0.86 0.00 0.66 -1.51 0.00 0.00 179.97 179.92 3cpw n TYR 51 N -3.62 0.00 -3.86 2.20 0.53 -1.07 -5.05 117.16 106.30 3cpw n TYR 51 Ca -0.02 -0.23 -0.23 0.00 -1.02 0.00 0.00 57.90 56.41 3cpw n TYR 51 Cb 0.78 -0.02 -0.02 0.00 -1.03 0.00 0.00 39.34 39.05 3cpw n TYR 51 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3cpw s ALA 52 N -0.46 3.90 0.00 -0.72 0.00 -0.16 -5.07 121.76 119.25 3cpw s ALA 52 Ca 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 3cpw s ALA 52 Cb 0.00 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 3cpw s ALA 52 CO 0.00 0.27 0.05 1.14 0.00 0.00 0.00 175.76 177.22 3cpw s GLN 53 N -3.85 0.32 0.70 0.00 -2.07 -1.26 -4.93 119.66 108.57 3cpw s GLN 53 Ca 0.35 -0.39 -0.16 0.00 -1.82 0.00 0.00 55.36 53.34 3cpw s GLN 53 Cb -0.10 0.13 0.01 0.00 -1.09 0.00 0.00 33.01 31.96 3cpw s GLN 53 CO 0.30 -0.06 1.08 0.39 -1.32 0.00 0.00 175.29 175.68 3cpw n GLU 54 N 1.85 0.66 -1.20 9.60 1.02 -1.26 -2.65 120.64 128.65 3cpw n GLU 54 Ca -0.21 0.28 -0.07 0.00 -0.02 0.00 0.00 57.16 57.14 3cpw n GLU 54 Cb 0.56 -2.32 -0.03 0.00 -0.02 0.00 0.00 31.44 29.63 3cpw n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3cpw n ASP 55 N -1.86 -5.25 -3.90 1.62 8.00 -1.26 -4.94 116.55 108.96 3cpw n ASP 55 Ca 0.14 0.17 -0.29 0.00 0.71 0.00 0.00 54.79 55.52 3cpw n ASP 55 Cb 0.49 -3.36 -0.16 0.00 -0.02 0.00 0.00 41.12 38.07 3cpw n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3cpw s GLU 56 N -2.35 1.47 0.01 -1.24 2.12 -1.09 -4.96 118.70 112.67 3cpw s GLU 56 Ca 0.00 -0.62 -0.30 0.00 0.36 0.00 0.00 54.97 54.41 3cpw s GLU 56 Cb 0.00 -2.15 -0.05 0.00 0.26 0.00 0.00 34.13 32.19 3cpw s GLU 56 CO 0.00 -0.47 1.37 0.99 -0.54 0.00 0.00 175.26 176.61 3cpw s THR 57 N 1.59 3.75 -0.13 -1.70 2.01 -0.61 -4.61 115.64 115.93 3cpw s THR 57 Ca -0.01 1.15 -0.25 0.00 0.31 0.00 0.00 61.69 62.89 3cpw s THR 57 Cb -0.16 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 3cpw s THR 57 CO -0.08 0.01 0.82 -0.69 -0.69 0.00 0.00 174.62 174.00 3cpw s VAL 58 N 2.18 4.91 -0.22 3.82 1.01 -0.39 -0.41 120.40 131.30 3cpw s VAL 58 Ca 0.63 1.63 -0.03 0.00 0.00 0.00 0.00 61.98 64.21 3cpw s VAL 58 Cb -0.31 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 31.94 3cpw s VAL 58 CO 0.26 0.08 -0.07 -0.69 0.00 0.00 0.00 175.10 174.68 3cpw s VAL 59 N 1.79 3.08 -0.38 2.92 1.01 0.44 0.52 120.40 129.78 3cpw s VAL 59 Ca 0.39 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 3cpw s VAL 59 Cb -0.17 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.85 3cpw s VAL 59 CO 0.15 0.42 0.20 -0.69 0.00 0.00 0.00 175.10 175.17 3cpw s VAL 60 N 1.43 4.28 -0.15 2.92 1.01 0.11 -1.40 120.40 128.59 3cpw s VAL 60 Ca 0.05 -1.08 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 3cpw s VAL 60 Cb -0.14 -3.46 -0.19 0.00 0.00 0.00 0.00 36.38 32.58 3cpw s VAL 60 CO -0.05 -0.30 2.87 -0.81 0.00 0.00 0.00 175.10 176.81 3cpw n PRO 61 N 4.93 1.71 0.00 2.72 -0.04 -1.26 -3.65 135.00 139.41 3cpw n PRO 61 Ca -0.11 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.44 3cpw n PRO 61 Cb 0.45 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 3cpw n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cpw n GLY 62 N 2.74 0.31 3.13 0.55 0.00 -1.26 -3.07 105.19 107.58 3cpw n GLY 62 Ca 0.37 0.40 -0.20 0.00 0.00 0.00 0.00 46.02 46.58 3cpw n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cpw s LYS 63 N 3.71 0.97 -0.20 1.61 2.20 0.65 -0.97 119.74 127.70 3cpw s LYS 63 Ca 0.00 -0.67 -0.09 0.00 -0.36 0.00 0.00 55.97 54.85 3cpw s LYS 63 Cb 0.00 -0.96 -0.05 0.00 -1.51 0.00 0.00 37.83 35.31 3cpw s LYS 63 CO 0.00 0.25 0.11 0.08 -0.36 0.00 0.00 175.35 175.42 3cpw s VAL 64 N -0.68 5.17 0.20 4.02 1.01 -0.03 -1.81 120.40 128.28 3cpw s VAL 64 Ca 0.03 0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.18 3cpw s VAL 64 Cb -0.07 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3cpw s VAL 64 CO 0.01 0.44 0.05 -0.76 0.00 0.00 0.00 175.10 174.84 3cpw s LEU 65 N 0.42 3.45 -0.04 3.92 1.43 0.28 -1.11 118.68 127.03 3cpw s LEU 65 Ca 0.06 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 3cpw s LEU 65 Cb -0.12 -2.05 0.14 0.00 0.03 0.00 0.00 46.19 44.19 3cpw s LEU 65 CO -0.01 0.05 0.73 0.61 0.23 0.00 0.00 176.35 177.97 3cpw n GLY 66 N -0.44 1.61 3.76 -3.19 0.00 -1.26 -2.29 105.19 103.37 3cpw n GLY 66 Ca -0.09 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 3cpw n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cpw s SER 67 N -0.19 7.51 0.00 1.61 0.01 -1.26 -4.79 113.70 116.59 3cpw s SER 67 Ca 0.09 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.27 3cpw s SER 67 Cb 0.07 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.70 3cpw s SER 67 CO 0.03 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.35 3cpw n GLY 68 N 1.11 -2.46 3.20 3.44 0.00 -1.26 -1.37 105.19 107.85 3cpw n GLY 68 Ca -0.00 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 3cpw n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cpw s VAL 69 N -0.36 1.86 -0.16 1.61 1.01 -1.26 -4.72 120.40 118.38 3cpw s VAL 69 Ca 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.06 3cpw s VAL 69 Cb 0.00 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.79 3cpw s VAL 69 CO 0.00 0.52 -0.18 -0.22 0.00 0.00 0.00 175.10 175.22 3cpw s LEU 70 N 0.16 2.32 -0.09 3.92 2.96 -1.26 -4.49 118.68 122.20 3cpw s LEU 70 Ca -0.11 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.27 3cpw s LEU 70 Cb -0.15 -1.52 -0.06 0.00 0.50 0.00 0.00 46.19 44.96 3cpw s LEU 70 CO 0.06 0.06 -0.07 0.00 -1.32 0.00 0.00 176.35 175.08 3cpw n GLN 71 N 4.19 0.42 -1.62 1.98 6.02 -1.26 -4.86 117.38 122.26 3cpw n GLN 71 Ca -0.20 0.05 -0.45 0.00 -0.01 0.00 0.00 57.00 56.39 3cpw n GLN 71 Cb 0.51 -1.17 -0.02 0.00 1.02 0.00 0.00 30.24 30.58 3cpw n GLN 71 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3cpw n LYS 72 N -2.71 1.56 -2.14 -1.09 5.02 -1.26 -4.85 118.16 112.69 3cpw n LYS 72 Ca -0.15 0.55 -0.42 0.00 -2.02 0.00 0.00 58.31 56.26 3cpw n LYS 72 Cb 0.67 -2.00 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3cpw n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3cpw n ASP 73 N 1.28 4.48 -4.66 4.39 2.03 -1.25 -4.55 116.55 118.27 3cpw n ASP 73 Ca 0.09 -2.93 -0.24 0.00 0.52 0.00 0.00 54.79 52.23 3cpw n ASP 73 Cb 0.32 -1.62 -0.07 0.00 -0.72 0.00 0.00 41.12 39.02 3cpw n ASP 73 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3cpw s VAL 74 N 2.56 3.56 -0.32 5.18 -7.23 -1.26 -4.58 120.40 118.32 3cpw s VAL 74 Ca 0.46 -1.77 -0.10 0.00 -1.81 0.00 0.00 61.98 58.76 3cpw s VAL 74 Cb 0.10 -2.88 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 3cpw s VAL 74 CO -0.03 -0.31 0.17 -0.89 -0.31 0.00 0.00 175.10 173.74 3cpw s THR 75 N -2.16 4.77 -0.20 5.32 2.01 -1.26 -1.88 115.64 122.24 3cpw s THR 75 Ca 0.30 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.87 3cpw s THR 75 Cb -0.07 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 3cpw s THR 75 CO 0.20 0.06 0.09 -0.69 -0.69 0.00 0.00 174.62 173.58 3cpw s VAL 76 N 1.64 4.91 -0.12 3.82 1.01 -0.14 -1.26 120.40 130.26 3cpw s VAL 76 Ca 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 3cpw s VAL 76 Cb -0.17 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 3cpw s VAL 76 CO 0.07 0.43 -0.11 0.00 0.00 0.00 0.00 175.10 175.50 3cpw s ALA 77 N 0.58 2.74 0.30 5.51 0.00 0.18 -0.47 121.76 130.61 3cpw s ALA 77 Ca 0.05 -0.89 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 3cpw s ALA 77 Cb -0.13 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.74 3cpw s ALA 77 CO 0.01 0.32 0.47 0.00 0.00 0.00 0.00 175.76 176.55 3cpw s ALA 78 N 0.09 0.40 0.16 0.00 0.00 -0.95 0.07 121.76 121.52 3cpw s ALA 78 Ca -0.04 -1.29 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 3cpw s ALA 78 Cb -0.14 1.12 0.01 0.00 0.00 0.00 0.00 23.12 24.11 3cpw s ALA 78 CO 0.04 -0.81 1.39 0.28 0.00 0.00 0.00 175.76 176.67 3cpw h VAL 79 N 2.19 1.41 -1.81 0.00 2.07 -1.12 -2.14 116.25 116.85 3cpw h VAL 79 Ca -0.28 -2.32 0.12 0.00 0.82 0.00 0.00 66.70 65.03 3cpw h VAL 79 Cb 1.24 2.27 -0.20 0.00 -1.52 0.00 0.00 31.29 33.09 3cpw h VAL 79 CO 0.39 0.69 0.57 -0.62 0.02 0.00 0.00 177.57 178.61 3cpw s ASP 80 N -6.99 -0.33 0.10 0.57 2.15 -1.19 -4.85 116.67 106.13 3cpw s ASP 80 Ca -0.05 0.20 0.08 0.00 0.43 0.00 0.00 52.55 53.21 3cpw s ASP 80 Cb 0.10 0.31 -0.03 0.00 -0.30 0.00 0.00 42.92 42.99 3cpw s ASP 80 CO 0.84 -0.43 -0.21 -0.36 -0.17 0.00 0.00 175.17 174.84 3cpw s PHE 81 N -2.02 1.83 0.67 -5.34 0.40 -1.26 -0.85 117.98 111.40 3cpw s PHE 81 Ca 0.02 -0.41 -0.12 0.00 -0.60 0.00 0.00 56.93 55.82 3cpw s PHE 81 Cb -0.01 -1.00 -0.00 0.00 0.51 0.00 0.00 43.02 42.51 3cpw s PHE 81 CO -0.03 0.21 1.06 -1.54 0.70 0.00 0.00 175.22 175.61 3cpw s SER 82 N -1.88 5.54 0.23 1.36 1.04 -0.27 -4.80 113.70 114.92 3cpw s SER 82 Ca 0.07 1.63 -0.08 0.00 0.48 0.00 0.00 55.95 58.06 3cpw s SER 82 Cb -0.10 -2.50 0.38 0.00 0.10 0.00 0.00 66.02 63.91 3cpw s SER 82 CO 0.04 -1.34 1.67 1.23 0.98 0.00 0.00 173.24 175.83 3cpw h GLY 83 N -0.46 0.84 0.78 7.32 0.00 -2.00 -1.63 103.07 107.92 3cpw h GLY 83 Ca -0.44 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 3cpw h GLY 83 CO 0.57 -0.20 -0.01 -0.84 0.00 0.00 0.00 176.54 176.06 3cpw h THR 84 N 0.19 1.27 -0.21 4.70 2.02 -1.96 -2.69 112.91 116.23 3cpw h THR 84 Ca 0.37 -0.89 0.05 0.00 0.77 0.00 0.00 66.41 66.71 3cpw h THR 84 Cb 0.62 1.55 -0.07 0.00 -1.74 0.00 0.00 68.15 68.51 3cpw h THR 84 CO -0.53 0.26 -0.45 0.00 0.37 0.00 0.00 175.52 175.18 3cpw h ALA 85 N 0.75 -0.61 -0.30 6.16 0.00 -1.67 0.19 119.26 123.77 3cpw h ALA 85 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3cpw h ALA 85 Cb 0.41 0.86 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3cpw h ALA 85 CO 0.01 -0.94 0.24 1.49 0.00 0.00 0.00 179.25 180.04 3cpw h GLU 86 N -0.47 0.00 0.00 0.00 4.81 -1.33 -0.47 114.58 117.12 3cpw h GLU 86 Ca 0.08 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3cpw h GLU 86 Cb 0.63 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.01 3cpw h GLU 86 CO -0.45 0.00 -0.25 1.15 -0.73 0.00 0.00 179.01 178.72 3cpw h THR 87 N 0.00 1.56 -0.74 0.32 2.02 -0.54 -2.84 112.91 112.69 3cpw h THR 87 Ca 0.14 -1.98 -0.03 0.00 0.77 0.00 0.00 66.41 65.31 3cpw h THR 87 Cb 0.62 2.81 -0.03 0.00 -1.74 0.00 0.00 68.15 69.80 3cpw h THR 87 CO -0.00 0.54 0.33 0.11 0.37 0.00 0.00 175.52 176.87 3cpw h LYS 88 N -0.52 1.08 -0.28 6.66 1.57 -0.05 -3.10 116.57 121.94 3cpw h LYS 88 Ca -0.03 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 3cpw h LYS 88 Cb 1.02 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 3cpw h LYS 88 CO 0.05 0.86 -0.02 0.82 -0.57 0.00 0.00 179.45 180.59 3cpw h ILE 89 N 1.05 1.26 0.00 1.86 2.04 -1.21 -3.02 117.51 119.50 3cpw h ILE 89 Ca 0.25 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.14 3cpw h ILE 89 Cb 0.16 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3cpw h ILE 89 CO -0.03 0.31 0.00 0.47 0.00 0.00 0.00 178.15 178.90 3cpw n ASP 90 N -4.57 0.47 0.07 1.72 8.00 -1.07 0.62 116.55 121.80 3cpw n ASP 90 Ca -0.03 0.67 -0.11 0.00 0.71 0.00 0.00 54.79 56.02 3cpw n ASP 90 Cb 0.27 -0.75 -0.03 0.00 -0.02 0.00 0.00 41.12 40.59 3cpw n ASP 90 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 3cpw h GLN 91 N 0.00 0.32 0.00 -1.24 4.20 -1.46 -3.36 115.11 113.57 3cpw h GLN 91 Ca 0.00 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.37 3cpw h GLN 91 Cb 0.15 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3cpw h GLN 91 CO 0.00 1.04 -0.23 1.33 -0.67 0.00 0.00 178.83 180.30 3cpw n VAL 92 N -3.71 0.00 0.00 -0.54 0.24 -0.91 -5.08 118.33 108.33 3cpw n VAL 92 Ca -0.05 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 3cpw n VAL 92 Cb 0.82 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 34.16 3cpw n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cpw n GLY 93 N 1.16 3.92 2.95 7.63 0.00 0.20 -3.91 105.19 117.15 3cpw n GLY 93 Ca 0.01 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 3cpw n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cpw s GLU 94 N 4.63 0.11 -0.28 1.61 2.12 -0.79 -4.26 118.70 121.84 3cpw s GLU 94 Ca 0.00 0.34 -0.12 0.00 0.36 0.00 0.00 54.97 55.55 3cpw s GLU 94 Cb 0.00 -0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.23 3cpw s GLU 94 CO 0.00 -0.13 0.21 0.00 -0.54 0.00 0.00 175.26 174.80 3cpw s ALA 95 N 0.91 3.53 0.11 6.30 0.00 -1.26 -0.96 121.76 130.39 3cpw s ALA 95 Ca -0.07 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 50.91 3cpw s ALA 95 Cb -0.09 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 3cpw s ALA 95 CO -0.05 -0.58 -0.21 0.08 0.00 0.00 0.00 175.76 175.01 3cpw s VAL 96 N 1.79 1.77 0.16 0.00 1.01 0.38 -4.98 120.40 120.54 3cpw s VAL 96 Ca 0.08 -1.62 -0.23 0.00 0.00 0.00 0.00 61.98 60.20 3cpw s VAL 96 Cb -0.16 -1.64 -0.08 0.00 0.00 0.00 0.00 36.38 34.50 3cpw s VAL 96 CO 0.11 -0.09 0.73 -0.94 0.00 0.00 0.00 175.10 174.90 3cpw s SER 97 N -2.05 7.28 0.61 3.32 1.04 -1.26 -2.25 113.70 120.39 3cpw s SER 97 Ca 0.09 1.54 0.28 0.00 0.48 0.00 0.00 55.95 58.33 3cpw s SER 97 Cb -0.09 -2.46 1.38 0.00 0.10 0.00 0.00 66.02 64.95 3cpw s SER 97 CO 0.05 0.20 1.79 0.25 0.98 0.00 0.00 173.24 176.51 3cpw h LEU 98 N 4.24 0.00 -0.63 2.42 5.85 -1.71 0.54 115.31 126.02 3cpw h LEU 98 Ca -0.48 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.10 3cpw h LEU 98 Cb 1.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3cpw h LEU 98 CO 0.65 0.00 -0.48 -0.33 -0.34 0.00 0.00 178.44 177.94 3cpw h GLU 99 N 0.00 0.51 -0.05 1.25 3.07 -1.91 -1.94 114.58 115.51 3cpw h GLU 99 Ca 0.21 -0.29 -0.12 0.00 -0.50 0.00 0.00 59.36 58.66 3cpw h GLU 99 Cb 1.35 0.02 0.01 0.00 -0.84 0.00 0.00 28.75 29.28 3cpw h GLU 99 CO -0.00 0.88 -0.45 1.96 -1.40 0.00 0.00 179.01 180.00 3cpw h GLN 100 N 0.41 0.39 -0.50 2.33 4.20 -0.33 -3.17 115.11 118.43 3cpw h GLN 100 Ca 0.02 -0.35 0.10 0.00 0.06 0.00 0.00 58.65 58.48 3cpw h GLN 100 Cb 0.99 0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.76 3cpw h GLN 100 CO 0.09 1.01 -0.12 0.00 -0.67 0.00 0.00 178.83 179.14 3cpw h ALA 101 N 0.39 0.33 -0.13 3.87 0.00 -1.26 0.31 119.26 122.76 3cpw h ALA 101 Ca -0.04 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3cpw h ALA 101 Cb 1.13 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3cpw h ALA 101 CO 0.09 -0.44 0.12 0.82 0.00 0.00 0.00 179.25 179.84 3cpw h ILE 102 N 0.00 0.69 0.18 0.00 2.04 -1.39 -0.63 117.51 118.39 3cpw h ILE 102 Ca 0.24 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.76 3cpw h ILE 102 Cb 0.36 0.91 0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3cpw h ILE 102 CO -0.51 0.00 -1.68 -0.08 0.00 0.00 0.00 178.15 175.88 3cpw h GLU 103 N 0.00 0.37 0.00 2.37 4.81 -0.46 -2.74 114.58 118.93 3cpw h GLU 103 Ca 0.06 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 3cpw h GLU 103 Cb 0.30 0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3cpw h GLU 103 CO -0.00 1.30 0.00 0.09 -0.73 0.00 0.00 179.01 179.67 3cpw n ASN 104 N -3.66 0.28 -2.81 1.04 3.02 -0.13 -4.36 115.26 108.63 3cpw n ASN 104 Ca -0.25 0.53 -0.10 0.00 -0.03 0.00 0.00 54.58 54.73 3cpw n ASN 104 Cb 1.04 -0.60 0.05 0.00 -0.61 0.00 0.00 39.78 39.66 3cpw n ASN 104 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3cpw n ASN 105 N -1.76 -2.17 0.05 6.41 5.15 -0.27 -4.98 115.26 117.69 3cpw n ASN 105 Ca 0.06 -3.41 0.06 0.00 -0.60 0.00 0.00 54.58 50.69 3cpw n ASN 105 Cb 0.36 1.51 0.27 0.00 -0.53 0.00 0.00 39.78 41.39 3cpw n ASN 105 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3cpw n PRO 106 N 1.00 0.05 0.01 1.20 -0.04 -1.03 -1.03 135.00 135.16 3cpw n PRO 106 Ca 0.10 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.13 3cpw n PRO 106 Cb 0.65 -1.64 0.34 0.00 -0.04 0.00 0.00 33.50 32.82 3cpw n PRO 106 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3cpw n GLU 107 N -1.75 0.04 -3.53 0.54 4.71 -1.26 -3.92 120.64 115.46 3cpw n GLU 107 Ca 0.01 0.01 -0.25 0.00 -0.01 0.00 0.00 57.16 56.92 3cpw n GLU 107 Cb 0.09 -1.53 0.05 0.00 -1.01 0.00 0.00 31.44 29.04 3cpw n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3cpw n GLY 108 N 1.48 -1.07 3.64 0.62 0.00 -0.20 -3.42 105.19 106.23 3cpw n GLY 108 Ca 0.06 0.50 -0.27 0.00 0.00 0.00 0.00 46.02 46.30 3cpw n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cpw s SER 109 N -3.40 4.65 -1.28 1.61 1.04 -1.26 -4.66 113.70 110.41 3cpw s SER 109 Ca 0.43 -0.41 -0.05 0.00 0.48 0.00 0.00 55.95 56.40 3cpw s SER 109 Cb -0.12 -0.96 -0.01 0.00 0.10 0.00 0.00 66.02 65.03 3cpw s SER 109 CO 0.82 0.11 0.66 1.41 0.98 0.00 0.00 173.24 177.23 3cpw n HIS 110 N 0.07 -1.88 -4.60 5.02 8.25 -1.26 -4.84 115.22 115.98 3cpw n HIS 110 Ca -0.10 0.73 -0.22 0.00 -0.26 0.00 0.00 57.72 57.87 3cpw n HIS 110 Cb 0.55 -4.02 -0.15 0.00 1.12 0.00 0.00 29.99 27.49 3cpw n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3cpw s VAL 111 N -3.68 1.17 -0.16 1.59 0.11 -1.26 -1.58 120.40 116.58 3cpw s VAL 111 Ca 0.13 -0.73 0.01 0.00 -2.93 0.00 0.00 61.98 58.46 3cpw s VAL 111 Cb -0.04 -0.99 0.01 0.00 -1.53 0.00 0.00 36.38 33.83 3cpw s VAL 111 CO 0.84 0.25 -0.18 -0.60 -3.33 0.00 0.00 175.10 172.07 3cpw s ARG 112 N -0.56 3.09 -0.07 1.54 6.06 0.45 -4.93 118.95 124.53 3cpw s ARG 112 Ca 0.05 -0.80 -0.25 0.00 -2.50 0.00 0.00 55.73 52.23 3cpw s ARG 112 Cb -0.06 -2.57 -0.03 0.00 0.06 0.00 0.00 34.95 32.34 3cpw s ARG 112 CO -0.00 -0.08 0.77 0.08 -2.50 0.00 0.00 175.30 173.57 3cpw s VAL 113 N 1.01 4.99 -0.08 7.11 1.01 -1.26 -0.42 120.40 132.76 3cpw s VAL 113 Ca -0.02 1.58 0.02 0.00 0.00 0.00 0.00 61.98 63.56 3cpw s VAL 113 Cb -0.15 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.14 3cpw s VAL 113 CO -0.05 0.20 -0.14 -0.63 0.00 0.00 0.00 175.10 174.47 3cpw s ILE 114 N 1.08 1.32 0.00 2.22 -1.09 -0.49 -4.92 121.20 119.31 3cpw s ILE 114 Ca 0.40 -0.58 0.00 0.00 -2.23 0.00 0.00 60.65 58.24 3cpw s ILE 114 Cb -0.18 -1.20 0.00 0.00 -1.58 0.00 0.00 42.46 39.50 3cpw s ILE 114 CO 0.19 0.40 0.14 -2.11 -1.23 0.00 0.00 174.94 172.33