#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fdm n PRO -3 N 0.00 0.39 -2.37 1.61 -0.02 -1.26 -4.95 135.00 128.41 3fdm n PRO -3 Ca 0.00 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 3fdm n PRO -3 Cb 0.00 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 3fdm n PRO -3 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fdm s LEU -2 N -3.81 4.38 0.00 2.45 1.43 -1.26 -5.06 118.68 116.81 3fdm s LEU -2 Ca 0.73 2.09 -0.03 0.00 -1.03 0.00 0.00 54.13 55.89 3fdm s LEU -2 Cb -0.32 -3.58 0.06 0.00 0.03 0.00 0.00 46.19 42.38 3fdm s LEU -2 CO 0.51 -0.50 0.38 0.61 0.23 0.00 0.00 176.35 177.58 3fdm n GLY -1 N 3.21 -0.59 3.86 -3.19 0.00 -1.26 -5.04 105.19 102.17 3fdm n GLY -1 Ca 0.09 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 3fdm n GLY -1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fdm s SER 0 N -2.44 6.48 0.32 1.61 1.04 -1.26 -4.96 113.70 114.49 3fdm s SER 0 Ca 0.23 1.42 0.01 0.00 0.48 0.00 0.00 55.95 58.08 3fdm s SER 0 Cb -0.01 -2.45 0.56 0.00 0.10 0.00 0.00 66.02 64.22 3fdm s SER 0 CO 0.16 -0.63 1.96 0.24 0.98 0.00 0.00 173.24 175.95 3fdm h MET 1 N 0.61 0.95 -0.18 4.02 2.86 -2.00 -3.04 114.93 118.15 3fdm h MET 1 Ca -0.46 -0.06 -0.15 0.00 -2.06 0.00 0.00 59.70 56.97 3fdm h MET 1 Cb 1.19 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 3fdm h MET 1 CO 0.62 0.63 -0.52 0.66 1.06 0.00 0.00 176.91 179.36 3fdm h SER 2 N 0.98 0.54 0.04 1.22 4.64 -1.99 -1.87 113.55 117.10 3fdm h SER 2 Ca 0.32 -0.28 0.01 0.00 -0.47 0.00 0.00 61.79 61.37 3fdm h SER 2 Cb 0.04 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 3fdm h SER 2 CO -0.09 0.96 -0.06 1.56 -0.87 0.00 0.00 176.83 178.33 3fdm h GLN 3 N 0.39 -0.12 0.00 4.77 4.20 -1.93 -1.02 115.11 121.40 3fdm h GLN 3 Ca 0.01 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 3fdm h GLN 3 Cb 1.04 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 3fdm h GLN 3 CO 0.09 -0.08 -0.23 0.66 -0.67 0.00 0.00 178.83 178.61 3fdm h SER 4 N -0.13 0.00 -0.42 1.46 4.64 -1.53 -1.70 113.55 115.88 3fdm h SER 4 Ca 0.01 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 3fdm h SER 4 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3fdm h SER 4 CO -0.04 0.23 -0.29 0.78 -0.87 0.00 0.00 176.83 176.64 3fdm h ASN 5 N 0.00 0.99 0.03 4.97 2.35 -1.15 -2.71 115.58 120.05 3fdm h ASN 5 Ca -0.00 -0.43 0.02 0.00 -0.55 0.00 0.00 56.30 55.33 3fdm h ASN 5 Cb 0.69 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 3fdm h ASN 5 CO 0.03 1.21 -0.14 0.03 -1.65 0.00 0.00 177.43 176.91 3fdm h ARG 6 N 0.77 -0.23 -0.78 0.81 2.47 -0.90 -1.69 114.38 114.83 3fdm h ARG 6 Ca 0.08 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.89 3fdm h ARG 6 Cb 0.88 0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 29.19 3fdm h ARG 6 CO 0.08 -0.15 0.46 1.49 0.56 0.00 0.00 179.97 182.40 3fdm h GLU 7 N -0.24 0.80 -0.10 0.04 4.81 -1.31 -0.61 114.58 117.96 3fdm h GLU 7 Ca 0.04 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3fdm h GLU 7 Cb 0.29 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 3fdm h GLU 7 CO -0.12 0.53 0.06 1.25 -0.73 0.00 0.00 179.01 180.00 3fdm h LEU 8 N 0.82 0.12 -0.32 1.64 6.46 -1.27 -1.60 115.31 121.17 3fdm h LEU 8 Ca 0.36 -0.06 0.06 0.00 -0.12 0.00 0.00 57.88 58.11 3fdm h LEU 8 Cb 0.23 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.08 3fdm h LEU 8 CO -0.20 0.15 -0.00 0.58 -0.62 0.00 0.00 178.44 178.35 3fdm h VAL 9 N 0.09 0.76 -0.88 1.05 2.07 -0.73 -0.92 116.25 117.68 3fdm h VAL 9 Ca 0.04 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.54 3fdm h VAL 9 Cb 0.05 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3fdm h VAL 9 CO -0.01 0.02 0.58 0.58 0.02 0.00 0.00 177.57 178.76 3fdm h VAL 10 N 0.09 1.22 -0.35 2.57 2.07 -1.10 -0.63 116.25 120.12 3fdm h VAL 10 Ca 0.15 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3fdm h VAL 10 Cb 0.21 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 3fdm h VAL 10 CO -0.26 0.22 0.22 -0.78 0.02 0.00 0.00 177.57 176.99 3fdm h ASP 11 N 1.19 0.42 -0.02 0.57 3.58 -0.82 0.38 116.42 121.71 3fdm h ASP 11 Ca 0.33 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.74 3fdm h ASP 11 Cb -0.12 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 40.82 3fdm h ASP 11 CO -0.08 0.33 0.00 0.15 -2.88 0.00 0.00 179.24 176.77 3fdm h PHE 12 N 0.46 0.04 -0.71 0.28 3.04 -0.73 -1.67 116.94 117.65 3fdm h PHE 12 Ca 0.13 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.04 3fdm h PHE 12 Cb -0.01 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.45 3fdm h PHE 12 CO -0.04 0.26 0.30 -0.07 -2.02 0.00 0.00 178.31 176.74 3fdm h LEU 13 N -0.20 0.95 -0.41 0.59 3.38 -1.03 -1.05 115.31 117.55 3fdm h LEU 13 Ca 0.01 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 57.90 3fdm h LEU 13 Cb 0.24 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 3fdm h LEU 13 CO 0.00 0.85 -0.01 0.28 0.09 0.00 0.00 178.44 179.64 3fdm h SER 14 N 1.00 -0.20 -0.02 -0.43 0.02 -0.16 -0.74 113.55 113.02 3fdm h SER 14 Ca 0.24 0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.30 3fdm h SER 14 Cb 0.18 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3fdm h SER 14 CO -0.02 -0.06 -0.06 0.22 -1.14 0.00 0.00 176.83 175.76 3fdm h TYR 15 N 0.09 -0.15 -0.73 3.45 3.20 -0.82 -1.99 116.97 120.01 3fdm h TYR 15 Ca 0.20 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 3fdm h TYR 15 Cb 0.29 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 3fdm h TYR 15 CO -0.28 -0.10 0.25 0.87 -1.64 0.00 0.00 178.16 177.26 3fdm h LYS 16 N -0.10 1.12 -0.78 1.82 1.79 -1.02 -2.39 116.57 117.01 3fdm h LYS 16 Ca 0.03 -0.23 0.02 0.00 -2.18 0.00 0.00 60.65 58.30 3fdm h LYS 16 Cb 0.14 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 30.58 3fdm h LYS 16 CO -0.08 0.94 0.50 -0.07 -1.08 0.00 0.00 179.45 179.66 3fdm h LEU 17 N 1.07 0.85 -1.30 2.94 3.38 -1.06 -2.98 115.31 118.21 3fdm h LEU 17 Ca 0.24 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 3fdm h LEU 17 Cb 0.27 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3fdm h LEU 17 CO -0.01 0.60 -0.31 0.77 0.09 0.00 0.00 178.44 179.57 3fdm h SER 18 N 1.00 0.00 0.15 -0.43 4.64 -0.95 -1.19 113.55 116.78 3fdm h SER 18 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3fdm h SER 18 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3fdm h SER 18 CO -0.09 0.31 0.00 1.56 -0.87 0.00 0.00 176.83 177.74 3fdm h GLN 19 N 0.00 0.00 -0.25 4.77 4.20 -1.27 -2.41 115.11 120.14 3fdm h GLN 19 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fdm h GLN 19 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 3fdm h GLN 19 CO 0.04 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.83 3fdm n LYS 20 N -2.67 2.88 -0.83 1.46 4.76 -0.74 -4.96 118.16 118.06 3fdm n LYS 20 Ca -0.02 -1.99 0.00 0.00 -2.87 0.00 0.00 58.31 53.44 3fdm n LYS 20 Cb 0.09 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 3fdm n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fdm n GLY 21 N 0.17 0.58 3.96 0.72 0.00 -0.91 -5.05 105.19 104.66 3fdm n GLY 21 Ca 0.10 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 3fdm n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fdm s TYR 22 N -2.00 2.70 -0.02 1.61 2.02 -0.53 -4.98 117.35 116.15 3fdm s TYR 22 Ca 0.00 -0.46 -0.06 0.00 -0.37 0.00 0.00 57.07 56.19 3fdm s TYR 22 Cb 0.00 -2.29 0.00 0.00 -0.40 0.00 0.00 41.96 39.28 3fdm s TYR 22 CO 0.00 -0.33 0.12 -1.54 -1.57 0.00 0.00 175.55 172.23 3fdm s SER 23 N -4.28 -0.02 0.17 2.29 1.04 -1.26 -2.94 113.70 108.70 3fdm s SER 23 Ca 0.52 -0.04 -0.14 0.00 0.48 0.00 0.00 55.95 56.77 3fdm s SER 23 Cb -0.07 0.23 0.06 0.00 0.10 0.00 0.00 66.02 66.34 3fdm s SER 23 CO 0.31 -0.24 1.80 -0.25 0.98 0.00 0.00 173.24 175.85 3fdm h TRP 24 N 4.96 0.71 -2.09 5.02 2.91 -1.91 -3.48 115.95 122.06 3fdm h TRP 24 Ca -0.29 -0.00 0.19 0.00 1.13 0.00 0.00 58.89 59.92 3fdm h TRP 24 Cb 1.20 -0.23 -0.12 0.00 -0.51 0.00 0.00 29.16 29.49 3fdm h TRP 24 CO 0.53 0.49 0.57 -1.54 -1.03 0.00 0.00 178.44 177.46 3fdm s SER 25 N -5.77 -0.22 0.27 2.65 1.04 -1.26 -4.98 113.70 105.42 3fdm s SER 25 Ca -0.13 -0.19 -0.01 0.00 0.48 0.00 0.00 55.95 56.10 3fdm s SER 25 Cb 0.12 0.37 0.47 0.00 0.10 0.00 0.00 66.02 67.09 3fdm s SER 25 CO 0.75 -0.65 1.83 -0.61 0.98 0.00 0.00 173.24 175.55 3fdm h GLN 26 N 2.00 0.93 -0.49 4.02 4.15 -1.99 -1.73 115.11 121.99 3fdm h GLN 26 Ca -0.23 -0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.21 3fdm h GLN 26 Cb 1.22 -0.21 -0.06 0.00 0.21 0.00 0.00 27.48 28.64 3fdm h GLN 26 CO 0.27 0.61 0.13 1.98 -1.93 0.00 0.00 178.83 179.90 3fdm h MET 83 N 0.95 0.28 -0.66 1.69 4.05 -1.99 -1.28 114.93 117.98 3fdm h MET 83 Ca 0.45 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.77 3fdm h MET 83 Cb 0.39 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 3fdm h MET 83 CO -0.24 0.18 0.10 0.00 0.23 0.00 0.00 176.91 177.18 3fdm h ALA 84 N 1.35 0.88 -0.62 0.39 0.00 -1.73 -0.44 119.26 119.10 3fdm h ALA 84 Ca 0.24 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3fdm h ALA 84 Cb 0.29 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3fdm h ALA 84 CO -0.28 0.66 0.14 0.00 0.00 0.00 0.00 179.25 179.77 3fdm h ALA 85 N 1.04 1.08 -0.06 0.00 0.00 -0.99 -2.22 119.26 118.11 3fdm h ALA 85 Ca 0.20 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3fdm h ALA 85 Cb 0.46 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3fdm h ALA 85 CO 0.02 0.61 -0.11 0.28 0.00 0.00 0.00 179.25 180.04 3fdm h VAL 86 N 0.93 1.42 -0.77 0.00 2.07 -0.94 -1.95 116.25 117.01 3fdm h VAL 86 Ca 0.20 -1.43 0.16 0.00 0.82 0.00 0.00 66.70 66.44 3fdm h VAL 86 Cb 0.35 2.24 -0.10 0.00 -1.52 0.00 0.00 31.29 32.26 3fdm h VAL 86 CO 0.00 0.40 0.30 0.11 0.02 0.00 0.00 177.57 178.39 3fdm h LYS 87 N -0.33 0.40 -0.12 1.57 1.57 -1.05 0.38 116.57 118.99 3fdm h LYS 87 Ca 0.00 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.53 3fdm h LYS 87 Cb 0.70 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.93 3fdm h LYS 87 CO 0.03 0.26 -0.82 0.37 -0.57 0.00 0.00 179.45 178.72 3fdm h GLN 88 N 0.41 0.76 -0.40 3.15 5.75 -1.33 -1.21 115.11 122.25 3fdm h GLN 88 Ca 0.44 -0.65 -0.11 0.00 -0.15 0.00 0.00 58.65 58.17 3fdm h GLN 88 Cb 0.70 0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.38 3fdm h GLN 88 CO -0.44 1.26 -0.19 0.00 -2.65 0.00 0.00 178.83 176.81 3fdm h ALA 89 N 0.55 0.91 -0.35 3.38 0.00 -1.06 -1.32 119.26 121.37 3fdm h ALA 89 Ca -0.06 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 3fdm h ALA 89 Cb 1.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3fdm h ALA 89 CO 0.17 0.62 -0.29 1.25 0.00 0.00 0.00 179.25 181.00 3fdm h LEU 90 N 0.68 0.85 -0.45 0.00 5.85 -0.84 0.33 115.31 121.73 3fdm h LEU 90 Ca 0.10 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 3fdm h LEU 90 Cb 0.69 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3fdm h LEU 90 CO 0.05 1.13 0.25 0.03 -0.34 0.00 0.00 178.44 179.55 3fdm h ARG 91 N 0.59 0.64 0.00 1.25 3.08 -1.01 -0.24 114.38 118.69 3fdm h ARG 91 Ca 0.06 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.05 3fdm h ARG 91 Cb 0.86 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 3fdm h ARG 91 CO 0.07 0.51 -0.07 0.93 -1.07 0.00 0.00 179.97 180.34 3fdm h GLU 92 N 0.60 -0.12 -0.22 0.04 5.08 -1.16 -2.21 114.58 116.58 3fdm h GLU 92 Ca 0.16 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 3fdm h GLU 92 Cb 0.06 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 3fdm h GLU 92 CO -0.03 -0.08 -0.22 0.00 -1.00 0.00 0.00 179.01 177.69 3fdm h ALA 93 N 0.86 -0.10 -0.92 3.43 0.00 -0.77 -1.41 119.26 120.35 3fdm h ALA 93 Ca 0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3fdm h ALA 93 Cb 0.16 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3fdm h ALA 93 CO -0.07 -0.65 0.52 0.78 0.00 0.00 0.00 179.25 179.83 3fdm h GLY 94 N -0.23 1.36 0.73 0.00 0.00 -0.96 0.03 103.07 104.01 3fdm h GLY 94 Ca 0.13 -0.60 0.03 0.00 0.00 0.00 0.00 47.33 46.89 3fdm h GLY 94 CO -0.36 0.58 0.01 -0.55 0.00 0.00 0.00 176.54 176.22 3fdm h ASP 95 N 1.28 -0.05 -0.36 0.19 3.32 -1.03 -0.50 116.42 119.26 3fdm h ASP 95 Ca 0.33 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.34 3fdm h ASP 95 Cb 0.00 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3fdm h ASP 95 CO -0.05 -0.00 -0.07 -0.08 -1.72 0.00 0.00 179.24 177.32 3fdm h GLU 96 N 0.07 0.68 -0.53 3.56 4.57 -0.90 0.19 114.58 122.23 3fdm h GLU 96 Ca 0.09 -0.25 0.08 0.00 -1.18 0.00 0.00 59.36 58.10 3fdm h GLU 96 Cb 0.10 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.58 3fdm h GLU 96 CO -0.14 0.83 0.16 0.35 -1.18 0.00 0.00 179.01 179.02 3fdm h PHE 97 N 0.48 0.26 -0.32 0.92 3.04 -0.94 0.27 116.94 120.66 3fdm h PHE 97 Ca 0.09 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.97 3fdm h PHE 97 Cb 0.56 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 3fdm h PHE 97 CO 0.05 0.05 -0.19 0.93 -2.02 0.00 0.00 178.31 177.12 3fdm h GLU 98 N 0.31 0.69 0.01 1.11 5.08 -1.05 0.40 114.58 121.14 3fdm h GLU 98 Ca 0.26 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3fdm h GLU 98 Cb 0.33 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3fdm h GLU 98 CO -0.30 0.92 -0.06 1.25 -1.00 0.00 0.00 179.01 179.83 3fdm h LEU 99 N 0.46 -0.16 0.14 1.33 5.85 -0.32 -2.63 115.31 119.97 3fdm h LEU 99 Ca 0.07 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3fdm h LEU 99 Cb 0.74 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3fdm h LEU 99 CO 0.05 -0.08 -0.14 0.03 -0.34 0.00 0.00 178.44 177.96 3fdm h ARG 100 N -0.10 -0.29 0.00 1.25 3.08 -0.45 -3.41 114.38 114.46 3fdm h ARG 100 Ca 0.02 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3fdm h ARG 100 Cb 0.13 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3fdm h ARG 100 CO -0.05 -0.19 0.00 0.66 -1.07 0.00 0.00 179.97 179.31 3fdm n TYR 101 N -5.26 0.00 -0.04 3.04 4.02 0.13 -4.66 117.16 114.40 3fdm n TYR 101 Ca -0.08 -0.06 0.01 0.00 -0.01 0.00 0.00 57.90 57.76 3fdm n TYR 101 Cb 0.18 -0.01 0.31 0.00 -0.02 0.00 0.00 39.34 39.80 3fdm n TYR 101 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3fdm h ARG 102 N 0.00 0.61 -0.49 -0.72 9.65 -1.60 -2.04 114.38 119.78 3fdm h ARG 102 Ca 0.00 -0.09 0.14 0.00 -1.10 0.00 0.00 59.98 58.93 3fdm h ARG 102 Cb 0.24 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 3fdm h ARG 102 CO 0.00 0.54 0.38 0.07 2.80 0.00 0.00 179.97 183.75 3fdm h ARG 103 N 0.60 0.00 0.00 0.20 0.11 -1.83 -0.02 114.38 113.45 3fdm h ARG 103 Ca 0.14 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.19 3fdm h ARG 103 Cb 0.19 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.26 3fdm h ARG 103 CO -0.01 0.00 -0.17 0.00 0.10 0.00 0.00 179.97 179.90 3fdm h ALA 104 N 1.71 0.89 -0.48 0.08 0.00 -1.70 -3.37 119.26 116.39 3fdm h ALA 104 Ca 0.23 -0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.71 3fdm h ALA 104 Cb 0.98 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.34 3fdm h ALA 104 CO -0.00 0.21 -1.07 1.97 0.00 0.00 0.00 179.25 180.35 3fdm n PHE 105 N -3.14 1.49 0.37 0.00 -1.74 -0.88 -4.93 117.46 108.64 3fdm n PHE 105 Ca 0.03 -2.16 0.14 0.00 -0.56 0.00 0.00 57.45 54.90 3fdm n PHE 105 Cb 0.60 -0.25 0.54 0.00 1.52 0.00 0.00 39.48 41.89 3fdm n PHE 105 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 3fdm h SER 106 N 2.54 0.00 -0.33 5.98 4.64 -1.18 -2.48 113.55 122.72 3fdm h SER 106 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3fdm h SER 106 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3fdm h SER 106 CO 0.27 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.70 3fdm n ASP 107 N -2.50 3.75 0.06 4.97 8.00 -1.26 -4.67 116.55 124.90 3fdm n ASP 107 Ca 0.02 -2.68 -0.12 0.00 0.71 0.00 0.00 54.79 52.72 3fdm n ASP 107 Cb 0.27 -0.46 -0.05 0.00 -0.02 0.00 0.00 41.12 40.85 3fdm n ASP 107 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3fdm h LEU 108 N 2.13 -1.03 -0.97 0.64 5.85 -1.85 -1.48 115.31 118.60 3fdm h LEU 108 Ca 0.00 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 3fdm h LEU 108 Cb 1.26 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 3fdm h LEU 108 CO 0.17 -0.40 -0.47 0.71 -0.34 0.00 0.00 178.44 178.12 3fdm h THR 109 N -0.49 1.18 -0.41 1.05 1.35 -1.84 -2.82 112.91 110.93 3fdm h THR 109 Ca 0.06 -1.68 -0.11 0.00 -0.55 0.00 0.00 66.41 64.14 3fdm h THR 109 Cb 0.58 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 3fdm h THR 109 CO -0.28 0.46 -0.15 -1.28 -0.25 0.00 0.00 175.52 174.01 3fdm h SER 110 N 0.00 0.85 0.64 5.36 0.87 -1.85 -2.81 113.55 116.62 3fdm h SER 110 Ca -0.00 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 3fdm h SER 110 Cb 0.91 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 3fdm h SER 110 CO 0.06 1.05 0.00 0.00 -0.53 0.00 0.00 176.83 177.41 3fdm n GLN 111 N -4.26 0.14 0.20 2.24 6.02 -0.57 -2.09 117.38 119.06 3fdm n GLN 111 Ca -0.01 0.39 0.09 0.00 -0.01 0.00 0.00 57.00 57.45 3fdm n GLN 111 Cb 0.40 -1.78 0.25 0.00 1.02 0.00 0.00 30.24 30.14 3fdm n GLN 111 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3fdm h LEU 112 N 0.00 0.00 -2.18 1.08 4.07 -1.43 -3.48 115.31 113.37 3fdm h LEU 112 Ca 0.00 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.58 3fdm h LEU 112 Cb 0.32 0.00 0.10 0.00 1.08 0.00 0.00 40.66 42.16 3fdm h LEU 112 CO 0.00 0.23 -0.85 1.41 -1.08 0.00 0.00 178.44 178.15 3fdm n HIS 113 N -3.22 -2.06 -2.04 1.13 8.25 -0.89 -4.85 115.22 111.54 3fdm n HIS 113 Ca 0.02 0.78 -0.39 0.00 -0.26 0.00 0.00 57.72 57.86 3fdm n HIS 113 Cb 0.55 -4.23 -0.00 0.00 1.12 0.00 0.00 29.99 27.42 3fdm n HIS 113 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3fdm s ILE 114 N -3.54 2.59 0.08 1.59 -5.25 -1.26 -4.99 121.20 110.43 3fdm s ILE 114 Ca 0.19 0.53 -0.09 0.00 -0.99 0.00 0.00 60.65 60.28 3fdm s ILE 114 Cb -0.05 -3.31 0.00 0.00 2.95 0.00 0.00 42.46 42.06 3fdm s ILE 114 CO 0.80 0.07 0.20 0.42 -1.79 0.00 0.00 174.94 174.64 3fdm s THR 115 N -1.27 0.13 0.30 8.37 -4.23 -1.26 -5.00 115.64 112.68 3fdm s THR 115 Ca 0.57 -1.07 0.05 0.00 -1.18 0.00 0.00 61.69 60.06 3fdm s THR 115 Cb -0.38 -1.22 0.29 0.00 1.34 0.00 0.00 72.50 72.53 3fdm s THR 115 CO 0.49 -0.59 1.75 -0.65 -0.54 0.00 0.00 174.62 175.07 3fdm h PRO 116 N 2.92 0.62 0.00 3.99 0.11 -1.97 0.30 132.00 137.97 3fdm h PRO 116 Ca -0.33 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 3fdm h PRO 116 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3fdm h PRO 116 CO 0.54 0.41 -0.18 0.78 -0.21 0.00 0.00 178.00 179.34 3fdm h GLY 117 N 0.64 0.00 -0.00 -0.55 0.00 -2.00 -3.29 103.07 97.87 3fdm h GLY 117 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 3fdm h GLY 117 CO -0.43 0.00 -0.49 -1.30 0.00 0.00 0.00 176.54 174.32 3fdm n THR 118 N -3.25 0.00 -0.11 4.70 -2.24 -0.76 -4.73 114.28 107.89 3fdm n THR 118 Ca 0.01 -0.25 -0.05 0.00 -2.27 0.00 0.00 64.05 61.49 3fdm n THR 118 Cb 0.47 1.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.72 3fdm n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fdm h ALA 119 N 1.48 0.35 -0.26 6.98 0.00 -1.03 -1.44 119.26 125.35 3fdm h ALA 119 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3fdm h ALA 119 Cb 0.25 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3fdm h ALA 119 CO 0.00 -0.38 0.14 -0.92 0.00 0.00 0.00 179.25 178.09 3fdm h TYR 120 N 0.12 0.26 -0.71 0.00 3.20 -1.85 -0.09 116.97 117.90 3fdm h TYR 120 Ca 0.18 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 3fdm h TYR 120 Cb 0.25 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3fdm h TYR 120 CO -0.24 0.15 0.19 0.37 -1.64 0.00 0.00 178.16 176.99 3fdm h GLN 121 N 0.29 1.12 -0.32 1.82 4.15 -1.79 0.39 115.11 120.77 3fdm h GLN 121 Ca 0.10 -0.26 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 3fdm h GLN 121 Cb 0.01 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 3fdm h GLN 121 CO -0.06 0.97 0.10 0.77 -1.93 0.00 0.00 178.83 178.68 3fdm h SER 122 N 1.07 0.47 -0.25 -0.69 0.02 -1.03 -0.61 113.55 112.54 3fdm h SER 122 Ca 0.23 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3fdm h SER 122 Cb 0.35 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3fdm h SER 122 CO -0.00 0.55 0.13 0.15 -1.14 0.00 0.00 176.83 176.52 3fdm h PHE 123 N 0.36 0.25 -0.68 3.45 3.57 -0.57 -2.00 116.94 121.32 3fdm h PHE 123 Ca 0.10 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3fdm h PHE 123 Cb 0.25 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3fdm h PHE 123 CO 0.01 0.14 0.32 1.49 -2.23 0.00 0.00 178.31 178.04 3fdm h GLU 124 N 0.28 0.98 0.13 1.11 4.81 -0.87 -1.26 114.58 119.75 3fdm h GLU 124 Ca 0.10 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3fdm h GLU 124 Cb 0.02 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.22 3fdm h GLU 124 CO -0.06 0.78 -0.06 1.96 -0.73 0.00 0.00 179.01 180.89 3fdm h GLN 125 N 0.94 -0.17 -0.28 1.92 4.20 -0.91 0.11 115.11 120.91 3fdm h GLN 125 Ca 0.23 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 3fdm h GLN 125 Cb 0.12 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3fdm h GLN 125 CO -0.03 -0.07 0.17 0.28 -0.67 0.00 0.00 178.83 178.51 3fdm h VAL 126 N -0.22 1.10 -0.42 -0.54 2.07 -1.30 -1.84 116.25 115.10 3fdm h VAL 126 Ca -0.02 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 3fdm h VAL 126 Cb 0.17 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3fdm h VAL 126 CO 0.03 0.10 -0.18 0.58 0.02 0.00 0.00 177.57 178.12 3fdm h VAL 127 N 0.37 1.28 -0.69 2.57 2.07 -1.12 0.22 116.25 120.94 3fdm h VAL 127 Ca 0.10 -1.32 0.02 0.00 0.82 0.00 0.00 66.70 66.33 3fdm h VAL 127 Cb 0.00 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3fdm h VAL 127 CO -0.02 0.44 0.44 0.78 0.02 0.00 0.00 177.57 179.24 3fdm h ASN 128 N 0.69 0.74 -0.59 0.57 -0.26 -0.74 -2.58 115.58 113.42 3fdm h ASN 128 Ca 0.10 -0.01 -0.10 0.00 -0.56 0.00 0.00 56.30 55.73 3fdm h ASN 128 Cb 0.74 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.80 3fdm h ASN 128 CO 0.06 0.53 -0.03 -0.33 -1.06 0.00 0.00 177.43 176.60 3fdm h GLU 129 N 0.88 1.05 -0.94 0.81 5.08 -1.12 0.04 114.58 120.38 3fdm h GLU 129 Ca 0.26 -0.35 0.09 0.00 -1.00 0.00 0.00 59.36 58.36 3fdm h GLU 129 Cb -0.04 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.05 3fdm h GLU 129 CO -0.08 1.04 0.58 1.25 -1.00 0.00 0.00 179.01 180.81 3fdm h LEU 130 N 0.94 0.89 -2.73 1.33 5.85 -0.75 -2.82 115.31 118.02 3fdm h LEU 130 Ca 0.16 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3fdm h LEU 130 Cb 0.59 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3fdm h LEU 130 CO 0.04 0.53 0.00 0.49 -0.34 0.00 0.00 178.44 179.15 3fdm n PHE 131 N -4.61 0.54 -0.27 1.25 3.72 -0.99 -4.70 117.46 112.40 3fdm n PHE 131 Ca 0.16 -0.45 -0.01 0.00 -0.05 0.00 0.00 57.45 57.09 3fdm n PHE 131 Cb 0.25 -0.02 0.11 0.00 -0.94 0.00 0.00 39.48 38.89 3fdm n PHE 131 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3fdm h ARG 132 N 2.61 0.81 -0.68 -1.08 2.43 -0.71 -1.52 114.38 116.23 3fdm h ARG 132 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3fdm h ARG 132 Cb 0.78 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3fdm h ARG 132 CO 0.00 0.53 0.00 -0.40 -1.51 0.00 0.00 179.97 178.59 3fdm n ASP 133 N -4.70 4.36 0.00 -3.80 5.75 -1.26 -5.02 116.55 111.88 3fdm n ASP 133 Ca 0.10 -2.62 0.00 0.00 -0.01 0.00 0.00 54.79 52.26 3fdm n ASP 133 Cb 0.16 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 3fdm n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fdm n GLY 134 N 0.55 3.06 3.49 6.12 0.00 -0.57 -5.08 105.19 112.75 3fdm n GLY 134 Ca 0.20 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 3fdm n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fdm s VAL 135 N -2.10 3.29 0.23 1.61 1.01 -1.26 -4.46 120.40 118.72 3fdm s VAL 135 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 3fdm s VAL 135 Cb 0.00 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3fdm s VAL 135 CO 0.00 0.58 0.32 0.54 0.00 0.00 0.00 175.10 176.54 3fdm s ASN 136 N -0.49 0.07 0.32 3.32 2.20 -1.26 -5.04 114.94 114.05 3fdm s ASN 136 Ca 0.07 -1.16 0.04 0.00 -0.94 0.00 0.00 52.86 50.87 3fdm s ASN 136 Cb -0.12 0.50 0.65 0.00 -2.00 0.00 0.00 41.25 40.28 3fdm s ASN 136 CO 0.02 -1.01 1.90 -0.50 -2.94 0.00 0.00 177.10 174.56 3fdm h TRP 137 N 2.41 0.95 -0.25 1.54 -0.00 -2.00 -0.77 115.95 117.82 3fdm h TRP 137 Ca -0.30 0.03 -0.15 0.00 -0.00 0.00 0.00 58.89 58.46 3fdm h TRP 137 Cb 1.25 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 30.09 3fdm h TRP 137 CO 0.43 0.44 -0.47 0.78 -0.00 0.00 0.00 178.44 179.62 3fdm h GLY 138 N 0.89 0.73 1.70 1.49 0.00 -1.99 -2.39 103.07 103.49 3fdm h GLY 138 Ca 0.41 -0.79 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 3fdm h GLY 138 CO -0.17 0.71 -0.53 3.21 0.00 0.00 0.00 176.54 179.76 3fdm h ARG 139 N 0.53 0.32 -0.66 4.80 3.08 -1.82 -1.82 114.38 118.81 3fdm h ARG 139 Ca 0.03 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3fdm h ARG 139 Cb 1.02 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.05 3fdm h ARG 139 CO 0.10 0.77 0.43 0.82 -1.07 0.00 0.00 179.97 181.02 3fdm h ILE 140 N 0.25 1.18 -0.94 2.04 2.04 -1.09 0.56 117.51 121.54 3fdm h ILE 140 Ca 0.01 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.53 3fdm h ILE 140 Cb 1.02 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 3fdm h ILE 140 CO 0.09 0.17 0.61 0.58 0.00 0.00 0.00 178.15 179.60 3fdm h VAL 141 N 0.90 1.25 -0.40 1.67 2.07 -1.26 -2.19 116.25 118.27 3fdm h VAL 141 Ca 0.24 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 3fdm h VAL 141 Cb -0.08 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.53 3fdm h VAL 141 CO -0.05 0.24 -0.05 0.00 0.02 0.00 0.00 177.57 177.74 3fdm h ALA 142 N 1.34 1.17 -0.15 1.67 0.00 -0.88 -0.96 119.26 121.45 3fdm h ALA 142 Ca 0.34 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3fdm h ALA 142 Cb -0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3fdm h ALA 142 CO -0.07 0.53 0.01 0.35 0.00 0.00 0.00 179.25 180.07 3fdm h PHE 143 N 0.62 0.01 -0.30 0.00 3.57 -0.31 0.00 116.94 120.54 3fdm h PHE 143 Ca 0.12 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3fdm h PHE 143 Cb 0.46 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3fdm h PHE 143 CO 0.02 -0.01 0.18 0.74 -2.23 0.00 0.00 178.31 177.01 3fdm h PHE 144 N 0.06 0.39 -0.92 0.41 0.04 -1.26 -1.72 116.94 113.94 3fdm h PHE 144 Ca 0.07 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.85 3fdm h PHE 144 Cb 0.07 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.05 3fdm h PHE 144 CO -0.14 0.29 0.61 0.77 -0.60 0.00 0.00 178.31 179.24 3fdm h SER 145 N 0.38 1.04 -0.06 2.17 0.02 -0.90 -1.53 113.55 114.66 3fdm h SER 145 Ca 0.11 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3fdm h SER 145 Cb 0.02 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 3fdm h SER 145 CO -0.02 0.74 0.03 0.15 -1.14 0.00 0.00 176.83 176.60 3fdm h PHE 146 N 1.23 0.09 -0.54 3.45 3.57 -0.89 -1.24 116.94 122.60 3fdm h PHE 146 Ca 0.35 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.91 3fdm h PHE 146 Cb -0.10 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.56 3fdm h PHE 146 CO -0.01 0.16 0.23 0.78 -2.23 0.00 0.00 178.31 177.25 3fdm h GLY 147 N -0.01 0.75 1.09 2.40 0.00 -1.09 0.57 103.07 106.78 3fdm h GLY 147 Ca 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 3fdm h GLY 147 CO -0.00 0.05 0.48 -1.33 0.00 0.00 0.00 176.54 175.74 3fdm h GLY 148 N 0.44 1.28 1.16 4.60 0.00 -1.13 -0.82 103.07 108.60 3fdm h GLY 148 Ca 0.25 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 3fdm h GLY 148 CO -0.22 0.55 -0.06 0.00 0.00 0.00 0.00 176.54 176.81 3fdm h ALA 149 N 1.32 0.85 -0.34 3.60 0.00 -0.84 -1.00 119.26 122.85 3fdm h ALA 149 Ca 0.31 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3fdm h ALA 149 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3fdm h ALA 149 CO -0.05 0.66 -0.13 1.25 0.00 0.00 0.00 179.25 180.98 3fdm h LEU 150 N 0.90 0.59 -0.31 0.00 5.85 -0.54 0.11 115.31 121.92 3fdm h LEU 150 Ca 0.15 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 3fdm h LEU 150 Cb 0.61 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3fdm h LEU 150 CO 0.04 0.75 -0.05 0.00 -0.34 0.00 0.00 178.44 178.84 3fdm h VAL 152 N 0.35 1.05 -0.72 0.00 2.07 -0.96 -1.70 116.25 116.34 3fdm h VAL 152 Ca 0.08 -0.15 0.15 0.00 0.82 0.00 0.00 66.70 67.59 3fdm h VAL 152 Cb 0.52 1.13 -0.10 0.00 -1.52 0.00 0.00 31.29 31.32 3fdm h VAL 152 CO 0.03 0.04 0.22 -0.08 0.02 0.00 0.00 177.57 177.80 3fdm h GLU 153 N -0.04 0.32 -0.83 1.57 4.57 -0.83 0.78 114.58 120.13 3fdm h GLU 153 Ca 0.01 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3fdm h GLU 153 Cb 0.06 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 3fdm h GLU 153 CO -0.00 0.21 0.45 0.77 -1.18 0.00 0.00 179.01 179.26 3fdm h SER 154 N 0.33 1.04 -0.12 1.04 0.02 -0.72 -1.95 113.55 113.19 3fdm h SER 154 Ca 0.40 -0.09 -0.19 0.00 -0.84 0.00 0.00 61.79 61.07 3fdm h SER 154 Cb 0.65 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3fdm h SER 154 CO -0.46 0.84 -0.62 0.58 -1.14 0.00 0.00 176.83 176.03 3fdm h VAL 155 N 1.16 1.30 -0.93 2.27 2.07 -0.44 0.54 116.25 122.21 3fdm h VAL 155 Ca 0.29 -1.84 0.08 0.00 0.82 0.00 0.00 66.70 66.05 3fdm h VAL 155 Cb 0.04 1.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 3fdm h VAL 155 CO -0.05 0.59 0.60 0.44 0.02 0.00 0.00 177.57 179.17 3fdm h ASP 156 N 0.54 0.90 -0.27 0.57 3.32 -0.51 -1.24 116.42 119.72 3fdm h ASP 156 Ca -0.01 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3fdm h ASP 156 Cb 1.22 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3fdm h ASP 156 CO 0.13 0.55 0.00 0.29 -1.72 0.00 0.00 179.24 178.48 3fdm n LYS 157 N -4.52 2.14 -3.79 3.56 5.02 -0.77 -4.88 118.16 114.92 3fdm n LYS 157 Ca 0.15 -1.19 -0.26 0.00 -2.02 0.00 0.00 58.31 54.99 3fdm n LYS 157 Cb 0.26 -1.51 0.04 0.00 -0.02 0.00 0.00 35.03 33.79 3fdm n LYS 157 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3fdm n GLU 158 N 0.33 -5.67 -2.54 1.97 1.02 -0.47 -4.93 120.64 110.35 3fdm n GLU 158 Ca 0.11 0.64 -0.23 0.00 -0.02 0.00 0.00 57.16 57.66 3fdm n GLU 158 Cb 0.44 -5.45 0.00 0.00 -0.02 0.00 0.00 31.44 26.41 3fdm n GLU 158 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3fdm n MET 159 N -4.57 2.93 0.15 3.49 2.81 0.19 -4.91 117.12 117.22 3fdm n MET 159 Ca -0.09 -4.26 0.12 0.00 -1.81 0.00 0.00 57.70 51.67 3fdm n MET 159 Cb 0.59 -2.04 0.54 0.00 -0.71 0.00 0.00 33.22 31.60 3fdm n MET 159 CO 0.00 0.00 0.00 -0.56 1.51 0.00 0.00 175.97 176.92 3fdm h GLN 160 N 2.69 0.00 -0.02 0.03 3.07 -1.87 -1.79 115.11 117.21 3fdm h GLN 160 Ca 0.21 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.96 3fdm h GLN 160 Cb 0.96 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.52 3fdm h GLN 160 CO 0.77 0.00 0.24 -0.39 0.09 0.00 0.00 178.83 179.55 3fdm h VAL 161 N 0.00 0.04 0.00 1.86 -1.51 -1.92 -1.93 116.25 112.79 3fdm h VAL 161 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.42 3fdm h VAL 161 Cb 0.27 0.76 -0.01 0.00 -2.13 0.00 0.00 31.29 30.18 3fdm h VAL 161 CO 0.00 0.00 -0.24 -0.07 -1.23 0.00 0.00 177.57 176.03 3fdm h LEU 162 N 0.00 0.00 0.10 4.19 3.38 -1.70 -3.35 115.31 117.94 3fdm h LEU 162 Ca 0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3fdm h LEU 162 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3fdm h LEU 162 CO -0.00 0.24 -0.14 0.58 0.09 0.00 0.00 178.44 179.22 3fdm h VAL 163 N 0.00 0.68 -0.40 1.22 2.07 -1.54 0.71 116.25 119.00 3fdm h VAL 163 Ca -0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3fdm h VAL 163 Cb 1.04 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3fdm h VAL 163 CO 0.03 0.00 -0.01 0.77 0.02 0.00 0.00 177.57 178.39 3fdm h SER 164 N -0.28 0.60 -0.02 0.57 4.64 -1.76 -1.66 113.55 115.63 3fdm h SER 164 Ca 0.01 -0.13 0.02 0.00 -0.47 0.00 0.00 61.79 61.22 3fdm h SER 164 Cb 0.29 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 3fdm h SER 164 CO -0.06 0.67 -0.08 0.03 -0.87 0.00 0.00 176.83 176.53 3fdm h ARG 165 N 0.60 -0.12 -0.95 4.77 3.08 -1.57 -0.65 114.38 119.55 3fdm h ARG 165 Ca 0.12 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.24 3fdm h ARG 165 Cb 0.39 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.40 3fdm h ARG 165 CO 0.01 -0.08 0.61 0.82 -1.07 0.00 0.00 179.97 180.26 3fdm h ILE 166 N -0.12 1.09 -0.22 2.04 2.04 -0.64 -0.93 117.51 120.76 3fdm h ILE 166 Ca 0.04 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 3fdm h ILE 166 Cb 0.17 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 3fdm h ILE 166 CO -0.10 0.20 0.13 0.00 0.00 0.00 0.00 178.15 178.39 3fdm h ALA 167 N 1.43 0.28 -0.46 1.87 0.00 -1.08 0.61 119.26 121.90 3fdm h ALA 167 Ca 0.40 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3fdm h ALA 167 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3fdm h ALA 167 CO -0.16 -0.21 0.20 0.00 0.00 0.00 0.00 179.25 179.08 3fdm h ALA 168 N 1.03 0.60 -0.76 0.00 0.00 -0.82 -1.35 119.26 117.95 3fdm h ALA 168 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3fdm h ALA 168 Cb 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3fdm h ALA 168 CO -0.01 0.18 0.43 -1.49 0.00 0.00 0.00 179.25 178.35 3fdm h TRP 169 N 0.60 1.04 -0.49 0.00 6.55 -0.95 -1.40 115.95 121.31 3fdm h TRP 169 Ca 0.16 -0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.96 3fdm h TRP 169 Cb 0.15 -0.33 -0.02 0.00 -0.86 0.00 0.00 29.16 28.10 3fdm h TRP 169 CO -0.00 0.73 0.23 0.52 -1.05 0.00 0.00 178.44 178.87 3fdm h MET 170 N 1.06 0.70 -0.35 0.49 2.86 -0.85 -2.06 114.93 116.78 3fdm h MET 170 Ca 0.27 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3fdm h MET 170 Cb 0.02 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3fdm h MET 170 CO -0.04 0.59 0.17 0.00 1.06 0.00 0.00 176.91 178.68 3fdm h ALA 171 N 1.08 0.46 -0.71 6.32 0.00 -0.80 -0.10 119.26 125.50 3fdm h ALA 171 Ca 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3fdm h ALA 171 Cb 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3fdm h ALA 171 CO -0.02 0.02 0.39 1.15 0.00 0.00 0.00 179.25 180.79 3fdm h THR 172 N 0.43 1.22 -0.44 0.00 2.02 -1.28 -0.37 112.91 114.48 3fdm h THR 172 Ca 0.12 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 3fdm h THR 172 Cb 0.13 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 3fdm h THR 172 CO -0.01 0.24 0.12 0.22 0.37 0.00 0.00 175.52 176.46 3fdm h TYR 173 N 0.97 0.72 -0.31 3.16 5.03 -1.07 -0.36 116.97 125.10 3fdm h TYR 173 Ca 0.25 -0.08 0.04 0.00 2.58 0.00 0.00 58.73 61.52 3fdm h TYR 173 Cb 0.03 -0.21 -0.04 0.00 1.55 0.00 0.00 36.73 38.06 3fdm h TYR 173 CO -0.00 0.66 0.07 1.25 -1.32 0.00 0.00 178.16 178.82 3fdm h LEU 174 N 0.57 0.04 0.13 2.82 6.46 -0.91 0.18 115.31 124.60 3fdm h LEU 174 Ca 0.14 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 3fdm h LEU 174 Cb 0.29 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.27 3fdm h LEU 174 CO -0.00 0.06 -0.08 -1.13 -0.62 0.00 0.00 178.44 176.66 3fdm h ASN 175 N 0.19 -0.21 0.77 1.25 -1.24 -0.77 -0.25 115.58 115.32 3fdm h ASN 175 Ca 0.14 0.01 -0.22 0.00 0.71 0.00 0.00 56.30 56.95 3fdm h ASN 175 Cb 0.14 0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.22 3fdm h ASN 175 CO -0.18 -0.14 -1.35 0.44 -1.29 0.00 0.00 177.43 174.92 3fdm h ASP 176 N -0.21 0.00 0.00 1.15 3.32 -0.99 -3.41 116.42 116.28 3fdm h ASP 176 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3fdm h ASP 176 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3fdm h ASP 176 CO 0.01 0.81 0.00 1.41 -1.72 0.00 0.00 179.24 179.75 3fdm n HIS 177 N -3.07 0.00 -0.01 4.55 8.25 0.62 -4.80 115.22 120.75 3fdm n HIS 177 Ca -0.09 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.34 3fdm n HIS 177 Cb 0.93 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.03 3fdm n HIS 177 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3fdm n LEU 178 N -0.63 0.93 -0.36 2.41 4.32 -1.08 -4.61 117.00 117.97 3fdm n LEU 178 Ca 0.00 0.02 0.02 0.00 -0.02 0.00 0.00 56.01 56.03 3fdm n LEU 178 Cb 0.01 -0.09 0.17 0.00 -1.62 0.00 0.00 43.42 41.90 3fdm n LEU 178 CO 0.00 0.19 1.27 -0.08 -1.22 0.00 0.00 177.39 177.55 3fdm h GLU 179 N -0.08 1.16 -0.84 3.23 4.81 -1.27 0.34 114.58 121.92 3fdm h GLU 179 Ca -0.07 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 3fdm h GLU 179 Cb 1.07 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 30.15 3fdm h GLU 179 CO -0.04 0.76 0.50 -1.35 -0.73 0.00 0.00 179.01 178.16 3fdm h PRO 180 N 1.19 1.15 -0.64 0.92 0.11 -1.82 0.24 132.00 133.15 3fdm h PRO 180 Ca 0.42 -0.11 0.04 0.00 0.11 0.00 0.00 66.00 66.45 3fdm h PRO 180 Cb 0.11 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 30.94 3fdm h PRO 180 CO -0.15 0.81 0.39 2.35 -0.21 0.00 0.00 178.00 181.19 3fdm h TRP 181 N 1.16 0.72 -0.50 0.65 7.01 -1.62 -3.05 115.95 120.33 3fdm h TRP 181 Ca 0.30 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.34 3fdm h TRP 181 Cb -0.04 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.76 3fdm h TRP 181 CO -0.00 0.40 0.30 0.82 -2.79 0.00 0.00 178.44 177.17 3fdm h ILE 182 N 0.75 1.07 0.00 2.65 2.04 0.68 -2.17 117.51 122.53 3fdm h ILE 182 Ca 0.27 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3fdm h ILE 182 Cb 0.06 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3fdm h ILE 182 CO -0.12 0.11 0.00 1.56 0.00 0.00 0.00 178.15 179.70 3fdm h GLN 183 N 0.61 0.00 -0.02 2.37 1.08 -0.57 0.20 115.11 118.77 3fdm h GLN 183 Ca 0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 3fdm h GLN 183 Cb -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3fdm h GLN 183 CO -0.08 0.00 -0.06 0.39 -0.95 0.00 0.00 178.83 178.13 3fdm n GLU 184 N -2.54 1.85 -1.45 1.46 1.02 -0.86 -4.44 120.64 115.68 3fdm n GLU 184 Ca 0.01 -1.64 -0.11 0.00 -0.02 0.00 0.00 57.16 55.40 3fdm n GLU 184 Cb 0.21 -1.40 0.10 0.00 -0.02 0.00 0.00 31.44 30.32 3fdm n GLU 184 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fdm n ASN 185 N 1.00 3.49 0.00 1.62 3.02 -0.93 -4.93 115.26 118.54 3fdm n ASN 185 Ca 0.12 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 50.92 3fdm n ASN 185 Cb 0.51 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 3fdm n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fdm n GLY 186 N -0.86 0.28 6.03 7.41 0.00 -1.22 -4.89 105.19 111.94 3fdm n GLY 186 Ca 0.32 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.36 3fdm n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fdm n GLY 187 N -1.69 -1.62 0.24 -0.02 0.00 0.67 -3.16 105.19 99.61 3fdm n GLY 187 Ca 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 46.02 44.78 3fdm n GLY 187 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3fdm h TRP 188 N -0.10 0.44 -0.96 1.61 4.06 -1.95 -1.69 115.95 117.36 3fdm h TRP 188 Ca 0.00 -0.07 0.11 0.00 2.06 0.00 0.00 58.89 61.00 3fdm h TRP 188 Cb 0.10 -0.12 -0.08 0.00 -1.00 0.00 0.00 29.16 28.06 3fdm h TRP 188 CO 0.00 0.56 0.59 -0.44 -3.56 0.00 0.00 178.44 175.58 3fdm h ASP 189 N 0.38 0.86 -0.40 -3.49 3.32 -1.98 -1.62 116.42 113.49 3fdm h ASP 189 Ca 0.07 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 3fdm h ASP 189 Cb 0.50 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3fdm h ASP 189 CO 0.03 0.46 0.00 0.74 -1.72 0.00 0.00 179.24 178.76 3fdm h THR 190 N 0.94 1.26 -0.40 0.35 2.02 -1.26 0.19 112.91 116.01 3fdm h THR 190 Ca 0.47 -1.01 0.06 0.00 0.77 0.00 0.00 66.41 66.71 3fdm h THR 190 Cb 0.46 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 3fdm h THR 190 CO -0.26 0.34 0.08 0.15 0.37 0.00 0.00 175.52 176.19 3fdm h PHE 191 N 0.54 0.12 -0.27 3.16 3.57 -1.33 0.68 116.94 123.40 3fdm h PHE 191 Ca 0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3fdm h PHE 191 Cb 0.48 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3fdm h PHE 191 CO 0.04 0.01 0.18 0.28 -2.23 0.00 0.00 178.31 176.58 3fdm h VAL 192 N 0.20 1.08 -0.92 1.41 2.07 -1.05 0.20 116.25 119.24 3fdm h VAL 192 Ca 0.19 -0.16 0.14 0.00 0.82 0.00 0.00 66.70 67.69 3fdm h VAL 192 Cb 0.24 0.70 -0.09 0.00 -1.52 0.00 0.00 31.29 30.61 3fdm h VAL 192 CO -0.26 0.08 0.53 -0.33 0.02 0.00 0.00 177.57 177.61 3fdm h GLU 193 N 0.36 0.76 0.08 1.57 5.08 -0.35 0.25 114.58 122.33 3fdm h GLU 193 Ca 0.10 -0.05 -0.26 0.00 -1.00 0.00 0.00 59.36 58.16 3fdm h GLU 193 Cb -0.03 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3fdm h GLU 193 CO -0.02 0.51 -1.21 -0.07 -1.00 0.00 0.00 179.01 177.21 3fdm h LEU 194 N 0.79 0.25 0.00 1.33 3.38 -0.27 -3.40 115.31 117.39 3fdm h LEU 194 Ca 0.48 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3fdm h LEU 194 Cb 0.60 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3fdm h LEU 194 CO -0.32 1.22 -0.29 -1.22 0.09 0.00 0.00 178.44 177.92 3fdm n TYR 195 N -3.44 0.00 -1.61 1.13 4.02 0.65 -5.05 117.16 112.86 3fdm n TYR 195 Ca -0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.51 3fdm n TYR 195 Cb 1.00 -0.01 0.05 0.00 -0.02 0.00 0.00 39.34 40.36 3fdm n TYR 195 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3fdm s GLY 196 N -1.47 1.86 -1.56 2.72 0.00 0.87 -3.89 107.32 105.85 3fdm s GLY 196 Ca 0.01 0.30 -0.12 0.00 0.00 0.00 0.00 44.72 44.91 3fdm s GLY 196 CO 0.14 0.63 0.77 0.70 0.00 0.00 0.00 173.10 175.34 3fdm n ASN 197 N -2.89 -3.03 0.00 1.64 5.03 -1.26 -4.97 115.26 109.78 3fdm n ASN 197 Ca 0.09 -0.92 0.00 0.00 0.87 0.00 0.00 54.58 54.62 3fdm n ASN 197 Cb 0.53 -3.28 0.00 0.00 -1.02 0.00 0.00 39.78 36.01 3fdm n ASN 197 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02