#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fdm h GLN 3 N 0.00 0.02 -0.43 -1.46 7.50 -1.99 -3.21 115.11 115.54 3fdm h GLN 3 Ca 0.00 -0.02 -0.06 0.00 0.50 0.00 0.00 58.65 59.07 3fdm h GLN 3 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.52 3fdm h GLN 3 CO 0.00 0.73 0.02 0.77 -1.50 0.00 0.00 178.83 178.85 3fdm h SER 4 N 0.01 0.72 -0.72 1.46 0.02 -1.99 -2.32 113.55 110.74 3fdm h SER 4 Ca -0.01 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 60.60 3fdm h SER 4 Cb 1.27 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 3fdm h SER 4 CO 0.10 0.84 0.26 0.78 -1.14 0.00 0.00 176.83 177.67 3fdm h ASN 5 N 0.58 1.03 -0.86 3.07 2.35 -2.00 -1.88 115.58 117.87 3fdm h ASN 5 Ca 0.12 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3fdm h ASN 5 Cb 0.46 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 3fdm h ASN 5 CO 0.02 0.93 0.46 -0.09 -1.65 0.00 0.00 177.43 177.10 3fdm h ARG 6 N 1.08 1.21 -0.41 0.81 9.65 -1.55 -1.20 114.38 123.97 3fdm h ARG 6 Ca 0.24 -0.15 -0.09 0.00 -1.10 0.00 0.00 59.98 58.89 3fdm h ARG 6 Cb 0.25 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 3fdm h ARG 6 CO -0.02 0.90 -0.11 1.49 2.80 0.00 0.00 179.97 185.03 3fdm h GLU 7 N 1.21 0.72 -0.27 0.20 4.22 -0.98 -0.92 114.58 118.76 3fdm h GLU 7 Ca 0.30 -0.23 -0.14 0.00 0.08 0.00 0.00 59.36 59.37 3fdm h GLU 7 Cb 0.05 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3fdm h GLU 7 CO -0.05 0.81 -0.38 1.25 -2.18 0.00 0.00 179.01 178.46 3fdm h LEU 8 N 0.65 0.80 0.46 1.64 5.85 -1.00 -2.00 115.31 121.70 3fdm h LEU 8 Ca 0.11 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 3fdm h LEU 8 Cb 0.57 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3fdm h LEU 8 CO 0.04 1.15 -0.24 0.58 -0.34 0.00 0.00 178.44 179.63 3fdm h VAL 9 N 0.46 0.52 -0.92 1.05 2.07 -0.91 -2.22 116.25 116.31 3fdm h VAL 9 Ca 0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.64 3fdm h VAL 9 Cb 0.97 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 3fdm h VAL 9 CO 0.09 0.00 0.59 0.58 0.02 0.00 0.00 177.57 178.85 3fdm h VAL 10 N -0.64 0.99 -0.32 2.57 2.07 -1.21 -0.23 116.25 119.49 3fdm h VAL 10 Ca -0.06 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 3fdm h VAL 10 Cb 0.50 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3fdm h VAL 10 CO 0.09 0.17 -0.10 -0.78 0.02 0.00 0.00 177.57 176.98 3fdm h ASP 11 N 0.95 0.64 0.01 0.57 3.58 -1.28 -0.26 116.42 120.63 3fdm h ASP 11 Ca 0.42 -0.38 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 3fdm h ASP 11 Cb 0.35 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.23 3fdm h ASP 11 CO -0.18 0.87 -0.00 0.15 -2.88 0.00 0.00 179.24 177.19 3fdm h PHE 12 N 0.40 -0.01 -0.33 0.28 3.04 -0.72 -1.36 116.94 118.25 3fdm h PHE 12 Ca 0.08 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.07 3fdm h PHE 12 Cb 0.60 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.07 3fdm h PHE 12 CO 0.05 0.31 0.10 -0.07 -2.02 0.00 0.00 178.31 176.69 3fdm h LEU 13 N -0.34 0.10 -0.79 0.59 3.38 -1.10 -0.97 115.31 116.18 3fdm h LEU 13 Ca -0.00 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3fdm h LEU 13 Cb 0.33 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 3fdm h LEU 13 CO 0.00 0.09 0.48 0.28 0.09 0.00 0.00 178.44 179.39 3fdm h SER 14 N 0.24 0.75 0.21 -0.43 0.02 -0.99 -0.44 113.55 112.92 3fdm h SER 14 Ca 0.15 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3fdm h SER 14 Cb 0.13 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3fdm h SER 14 CO -0.16 0.49 -0.10 0.22 -1.14 0.00 0.00 176.83 176.13 3fdm h TYR 15 N 0.89 -0.27 -1.00 3.45 3.20 -0.83 -0.62 116.97 121.79 3fdm h TYR 15 Ca 0.35 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.26 3fdm h TYR 15 Cb 0.16 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 3fdm h TYR 15 CO -0.04 -0.05 0.65 0.87 -1.64 0.00 0.00 178.16 177.94 3fdm h LYS 16 N -0.44 1.18 -0.59 1.82 6.56 -1.03 -1.55 116.57 122.52 3fdm h LYS 16 Ca -0.03 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.49 3fdm h LYS 16 Cb 0.34 -0.27 -0.03 0.00 -0.57 0.00 0.00 32.23 31.70 3fdm h LYS 16 CO 0.05 0.78 0.37 -0.07 -2.06 0.00 0.00 179.45 178.52 3fdm h LEU 17 N 1.21 0.69 -1.06 2.94 3.38 -1.03 -3.03 115.31 118.42 3fdm h LEU 17 Ca 0.42 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.26 3fdm h LEU 17 Cb 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3fdm h LEU 17 CO -0.15 0.53 -0.41 0.77 0.09 0.00 0.00 178.44 179.26 3fdm h SER 18 N 0.79 0.00 0.18 -0.43 4.64 -0.22 -0.50 113.55 118.00 3fdm h SER 18 Ca 0.21 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 3fdm h SER 18 Cb -0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3fdm h SER 18 CO -0.04 0.41 -0.04 1.56 -0.87 0.00 0.00 176.83 177.85 3fdm h GLN 19 N 0.00 0.00 -0.34 4.77 4.20 -1.19 -0.65 115.11 121.90 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 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 3fdm h GLN 19 CO 0.05 0.04 0.00 1.63 -0.67 0.00 0.00 178.83 179.88 3fdm n LYS 20 N -3.59 2.39 -0.51 1.46 4.76 -0.77 -4.93 118.16 116.98 3fdm n LYS 20 Ca -0.02 -2.19 0.00 0.00 -2.87 0.00 0.00 58.31 53.23 3fdm n LYS 20 Cb 0.14 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 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 1.38 0.75 3.95 0.72 0.00 -0.25 -5.05 105.19 106.69 3fdm n GLY 21 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.67 3.15 0.05 1.61 2.02 -0.27 -4.95 117.35 116.29 3fdm s TYR 22 Ca 0.00 0.20 0.04 0.00 -0.37 0.00 0.00 57.07 56.95 3fdm s TYR 22 Cb 0.00 -2.43 -0.02 0.00 -0.40 0.00 0.00 41.96 39.10 3fdm s TYR 22 CO 0.00 -0.49 -0.13 -1.54 -1.57 0.00 0.00 175.55 171.82 3fdm s SER 23 N -4.27 1.49 0.12 2.29 1.04 -1.26 -2.68 113.70 110.44 3fdm s SER 23 Ca 0.51 -0.52 -0.31 0.00 0.48 0.00 0.00 55.95 56.10 3fdm s SER 23 Cb -0.10 -0.06 -0.10 0.00 0.10 0.00 0.00 66.02 65.86 3fdm s SER 23 CO 0.38 -0.05 1.70 0.86 0.98 0.00 0.00 173.24 177.12 3fdm s TRP 24 N -1.08 2.53 -0.18 5.02 -0.11 -1.26 -5.01 118.94 118.85 3fdm s TRP 24 Ca -0.02 0.28 -0.04 0.00 1.22 0.00 0.00 56.10 57.54 3fdm s TRP 24 Cb -0.09 -4.05 0.07 0.00 -1.50 0.00 0.00 33.47 27.91 3fdm s TRP 24 CO 0.01 -4.15 0.15 0.45 -4.62 0.00 0.00 176.95 168.80 3fdm s SER 25 N 2.09 1.81 -0.04 5.86 0.15 -1.26 -5.14 113.70 117.16 3fdm s SER 25 Ca 0.75 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 57.04 3fdm s SER 25 Cb -0.44 0.07 0.01 0.00 -1.71 0.00 0.00 66.02 63.95 3fdm s SER 25 CO 0.33 -0.33 -0.07 -1.58 1.20 0.00 0.00 173.24 172.79 3fdm s GLN 26 N 2.23 1.03 -1.53 5.44 0.74 -1.26 -4.88 119.66 121.44 3fdm s GLN 26 Ca 0.04 -0.23 -0.08 0.00 0.05 0.00 0.00 55.36 55.14 3fdm s GLN 26 Cb -0.16 -0.95 0.07 0.00 1.10 0.00 0.00 33.01 33.07 3fdm s GLN 26 CO -0.10 0.01 0.60 -1.33 -0.55 0.00 0.00 175.29 173.92 3fdm n MET 83 N 3.72 -3.47 -0.05 1.67 2.81 -1.26 -4.81 117.12 115.73 3fdm n MET 83 Ca -0.22 0.41 0.13 0.00 -1.81 0.00 0.00 57.70 56.21 3fdm n MET 83 Cb 0.52 -4.82 0.54 0.00 -0.71 0.00 0.00 33.22 28.75 3fdm n MET 83 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fdm h ALA 84 N 0.88 2.09 0.13 3.04 0.00 -1.99 -1.93 119.26 121.47 3fdm h ALA 84 Ca -0.61 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.00 3fdm h ALA 84 Cb 1.38 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 19.14 3fdm h ALA 84 CO 0.68 -0.22 -1.21 0.00 0.00 0.00 0.00 179.25 178.51 3fdm h ALA 85 N 1.72 -0.02 -0.17 0.00 0.00 -1.99 -2.04 119.26 116.75 3fdm h ALA 85 Ca 0.26 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3fdm h ALA 85 Cb 0.58 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3fdm h ALA 85 CO -0.06 0.65 0.06 0.28 0.00 0.00 0.00 179.25 180.18 3fdm h VAL 86 N 0.22 1.18 -0.61 0.00 2.07 -1.86 -1.76 116.25 115.49 3fdm h VAL 86 Ca -0.19 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 66.81 3fdm h VAL 86 Cb 1.89 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 32.85 3fdm h VAL 86 CO 0.23 0.17 0.38 0.11 0.02 0.00 0.00 177.57 178.48 3fdm h LYS 87 N 0.11 0.72 -0.22 1.57 1.57 -1.40 0.90 116.57 119.82 3fdm h LYS 87 Ca 0.06 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 3fdm h LYS 87 Cb 0.21 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3fdm h LYS 87 CO -0.00 0.47 -0.51 0.37 -0.57 0.00 0.00 179.45 179.21 3fdm h GLN 88 N 0.74 0.73 -0.66 3.15 5.75 -1.37 0.15 115.11 123.59 3fdm h GLN 88 Ca 0.25 -0.49 -0.00 0.00 -0.15 0.00 0.00 58.65 58.25 3fdm h GLN 88 Cb 0.02 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 3fdm h GLN 88 CO -0.10 1.12 0.40 0.00 -2.65 0.00 0.00 178.83 177.59 3fdm h ALA 89 N 0.61 0.84 -0.52 3.38 0.00 -1.00 -1.51 119.26 121.06 3fdm h ALA 89 Ca -0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3fdm h ALA 89 Cb 1.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3fdm h ALA 89 CO 0.11 0.31 -0.01 1.25 0.00 0.00 0.00 179.25 180.91 3fdm h LEU 90 N 0.89 0.91 -0.11 0.00 5.85 -0.59 -0.28 115.31 121.98 3fdm h LEU 90 Ca 0.24 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3fdm h LEU 90 Cb -0.03 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 3fdm h LEU 90 CO -0.05 1.00 0.01 0.03 -0.34 0.00 0.00 178.44 179.09 3fdm h ARG 91 N 0.79 0.05 -0.58 1.25 3.08 -0.75 -0.71 114.38 117.51 3fdm h ARG 91 Ca 0.15 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.24 3fdm h ARG 91 Cb 0.54 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 3fdm h ARG 91 CO 0.03 0.03 0.31 0.93 -1.07 0.00 0.00 179.97 180.20 3fdm h GLU 92 N 0.05 0.57 -0.53 0.04 5.08 -1.05 -0.61 114.58 118.14 3fdm h GLU 92 Ca 0.05 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3fdm h GLU 92 Cb 0.05 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3fdm h GLU 92 CO -0.08 0.38 -0.08 0.00 -1.00 0.00 0.00 179.01 178.23 3fdm h ALA 93 N 1.30 0.85 -0.24 3.43 0.00 -0.79 -1.86 119.26 121.95 3fdm h ALA 93 Ca 0.25 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3fdm h ALA 93 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3fdm h ALA 93 CO -0.16 0.65 0.04 0.78 0.00 0.00 0.00 179.25 180.56 3fdm h GLY 94 N 0.96 0.43 0.33 0.00 0.00 -0.86 0.19 103.07 104.13 3fdm h GLY 94 Ca 0.14 -0.29 0.15 0.00 0.00 0.00 0.00 47.33 47.34 3fdm h GLY 94 CO 0.04 0.27 0.62 -0.55 0.00 0.00 0.00 176.54 176.92 3fdm h ASP 95 N 0.21 0.86 0.38 0.19 3.32 -0.93 -1.33 116.42 119.13 3fdm h ASP 95 Ca 0.07 0.07 -0.32 0.00 0.02 0.00 0.00 57.03 56.87 3fdm h ASP 95 Cb 0.32 -0.10 0.02 0.00 0.22 0.00 0.00 39.33 39.79 3fdm h ASP 95 CO 0.00 0.40 -1.48 -0.08 -1.72 0.00 0.00 179.24 176.37 3fdm h GLU 96 N 0.89 0.40 -0.49 3.56 4.57 -1.09 -1.82 114.58 120.60 3fdm h GLU 96 Ca 0.53 -0.69 -0.02 0.00 -1.18 0.00 0.00 59.36 58.00 3fdm h GLU 96 Cb 0.67 0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 3fdm h GLU 96 CO -0.31 1.31 0.22 0.35 -1.18 0.00 0.00 179.01 179.40 3fdm h PHE 97 N 0.11 0.72 -0.46 0.92 3.04 -0.82 0.21 116.94 120.66 3fdm h PHE 97 Ca -0.24 -0.04 -0.14 0.00 3.98 0.00 0.00 57.97 61.53 3fdm h PHE 97 Cb 2.09 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 40.37 3fdm h PHE 97 CO 0.10 0.58 -0.24 0.93 -2.02 0.00 0.00 178.31 177.65 3fdm h GLU 98 N 0.64 0.98 0.64 1.11 5.08 -1.27 -1.28 114.58 120.49 3fdm h GLU 98 Ca 0.17 -0.44 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 3fdm h GLU 98 Cb 0.15 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.38 3fdm h GLU 98 CO -0.02 1.11 -0.31 1.25 -1.00 0.00 0.00 179.01 180.04 3fdm h LEU 99 N 0.83 -0.73 -1.08 1.33 5.85 -1.27 -2.52 115.31 117.72 3fdm h LEU 99 Ca 0.10 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3fdm h LEU 99 Cb 0.83 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3fdm h LEU 99 CO 0.07 -0.39 0.00 0.08 -0.34 0.00 0.00 178.44 177.86 3fdm h ARG 100 N -1.13 0.00 -0.90 1.25 0.11 -0.98 -1.99 114.38 110.73 3fdm h ARG 100 Ca -0.09 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.42 3fdm h ARG 100 Cb 0.66 0.00 -0.42 0.00 1.11 0.00 0.00 29.97 31.33 3fdm h ARG 100 CO 0.15 0.00 -0.65 0.66 0.10 0.00 0.00 179.97 180.23 3fdm n TYR 101 N -2.54 2.89 -0.11 4.08 0.53 -0.48 -4.85 117.16 116.67 3fdm n TYR 101 Ca 0.01 -2.42 -0.06 0.00 -1.02 0.00 0.00 57.90 54.42 3fdm n TYR 101 Cb 0.23 -0.40 0.00 0.00 -1.03 0.00 0.00 39.34 38.14 3fdm n TYR 101 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3fdm h ARG 102 N 2.24 -0.16 0.49 -0.72 2.47 -0.89 0.38 114.38 118.18 3fdm h ARG 102 Ca 0.38 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 59.09 3fdm h ARG 102 Cb 1.37 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.73 3fdm h ARG 102 CO 0.85 -0.11 -0.23 -0.09 0.56 0.00 0.00 179.97 180.94 3fdm h ARG 103 N -0.17 -0.63 -0.90 0.04 2.43 -1.87 -0.29 114.38 112.98 3fdm h ARG 103 Ca 0.19 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.42 3fdm h ARG 103 Cb 0.46 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.11 3fdm h ARG 103 CO -0.49 -0.39 0.59 0.00 -1.51 0.00 0.00 179.97 178.17 3fdm h ALA 104 N -0.22 1.16 -0.17 2.80 0.00 -1.89 -2.43 119.26 118.51 3fdm h ALA 104 Ca -0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3fdm h ALA 104 Cb 0.53 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3fdm h ALA 104 CO 0.11 0.51 0.04 0.35 0.00 0.00 0.00 179.25 180.26 3fdm h PHE 105 N 1.19 0.29 0.00 0.00 3.57 -0.09 -2.93 116.94 118.97 3fdm h PHE 105 Ca 0.34 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 3fdm h PHE 105 Cb -0.09 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3fdm h PHE 105 CO -0.01 0.41 -0.20 0.66 -2.23 0.00 0.00 178.31 176.93 3fdm h SER 106 N 0.08 0.00 -0.55 0.41 4.64 -1.01 -0.67 113.55 116.45 3fdm h SER 106 Ca 0.05 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.48 3fdm h SER 106 Cb 0.27 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.28 3fdm h SER 106 CO 0.00 0.20 0.09 0.44 -0.87 0.00 0.00 176.83 176.69 3fdm h ASP 107 N 0.00 -0.06 -0.03 4.97 3.32 -1.25 0.62 116.42 123.99 3fdm h ASP 107 Ca -0.00 0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 3fdm h ASP 107 Cb 0.64 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3fdm h ASP 107 CO 0.03 -0.01 -0.20 0.25 -1.72 0.00 0.00 179.24 177.58 3fdm h LEU 108 N 0.21 0.22 -0.47 1.55 6.46 -1.35 -3.24 115.31 118.69 3fdm h LEU 108 Ca 0.28 -0.69 0.10 0.00 -0.12 0.00 0.00 57.88 57.45 3fdm h LEU 108 Cb 0.42 -0.07 -0.09 0.00 -0.73 0.00 0.00 40.66 40.19 3fdm h LEU 108 CO -0.39 0.88 -0.16 0.74 -0.62 0.00 0.00 178.44 178.89 3fdm h THR 109 N -0.42 0.45 -0.82 1.05 2.02 -0.79 -1.20 112.91 113.19 3fdm h THR 109 Ca -0.02 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.36 3fdm h THR 109 Cb 0.89 0.45 -0.13 0.00 -1.74 0.00 0.00 68.15 67.62 3fdm h THR 109 CO 0.04 0.00 0.21 0.28 0.37 0.00 0.00 175.52 176.42 3fdm h SER 110 N -0.06 -0.00 0.32 4.18 0.02 0.17 -1.25 113.55 116.93 3fdm h SER 110 Ca 0.23 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3fdm h SER 110 Cb 0.40 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3fdm h SER 110 CO -0.51 -0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.07 3fdm n GLN 111 N -5.20 0.59 -1.96 3.45 6.02 -0.47 -4.79 117.38 115.02 3fdm n GLN 111 Ca 0.18 0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.77 3fdm n GLN 111 Cb 0.58 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.32 3fdm n GLN 111 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3fdm s LEU 112 N -2.35 4.36 -0.59 1.08 1.02 -0.47 -4.96 118.68 116.77 3fdm s LEU 112 Ca 0.33 2.43 0.06 0.00 0.02 0.00 0.00 54.13 56.97 3fdm s LEU 112 Cb 0.19 -3.56 0.23 0.00 0.02 0.00 0.00 46.19 43.07 3fdm s LEU 112 CO 0.39 -0.87 0.62 1.41 0.02 0.00 0.00 176.35 177.92 3fdm n HIS 113 N 5.68 2.42 -2.06 0.29 8.25 -1.26 -5.08 115.22 123.45 3fdm n HIS 113 Ca 0.16 -4.00 -0.42 0.00 -0.26 0.00 0.00 57.72 53.19 3fdm n HIS 113 Cb 0.41 -0.47 -0.03 0.00 1.12 0.00 0.00 29.99 31.02 3fdm n HIS 113 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fdm s ILE 114 N -1.83 3.39 0.12 1.59 -1.09 -1.26 -4.93 121.20 117.19 3fdm s ILE 114 Ca 0.35 0.77 0.05 0.00 -2.23 0.00 0.00 60.65 59.59 3fdm s ILE 114 Cb 0.11 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 3fdm s ILE 114 CO -0.08 -0.01 -0.11 0.42 -1.23 0.00 0.00 174.94 173.93 3fdm s THR 115 N 2.70 1.12 0.25 2.92 -4.23 -1.26 -5.00 115.64 112.14 3fdm s THR 115 Ca 0.69 -1.84 -0.03 0.00 -1.18 0.00 0.00 61.69 59.33 3fdm s THR 115 Cb -0.35 -1.60 0.22 0.00 1.34 0.00 0.00 72.50 72.10 3fdm s THR 115 CO 0.29 -0.61 1.80 -0.65 -0.54 0.00 0.00 174.62 174.92 3fdm h PRO 116 N 3.22 0.74 0.00 3.99 0.11 -1.97 0.32 132.00 138.41 3fdm h PRO 116 Ca -0.37 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.64 3fdm h PRO 116 Cb 1.19 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3fdm h PRO 116 CO 0.57 0.49 -0.26 0.78 -0.21 0.00 0.00 178.00 179.37 3fdm h GLY 117 N 0.76 0.00 -0.79 -0.55 0.00 -2.00 -3.25 103.07 97.24 3fdm h GLY 117 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3fdm h GLY 117 CO -0.27 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 174.97 3fdm n THR 118 N -3.69 0.48 -0.26 4.70 -2.24 -0.89 -4.73 114.28 107.66 3fdm n THR 118 Ca -0.01 -0.74 -0.06 0.00 -2.27 0.00 0.00 64.05 60.97 3fdm n THR 118 Cb 0.38 0.85 0.05 0.00 -2.10 0.00 0.00 70.33 69.50 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 1.55 0.92 -0.07 6.98 0.00 -0.98 -2.03 119.26 125.63 3fdm h ALA 119 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3fdm h ALA 119 Cb 0.50 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3fdm h ALA 119 CO 0.00 0.51 0.01 -0.92 0.00 0.00 0.00 179.25 178.85 3fdm h TYR 120 N 1.01 0.13 -0.85 0.00 3.20 -1.85 -2.33 116.97 116.28 3fdm h TYR 120 Ca 0.24 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.21 3fdm h TYR 120 Cb 0.15 -0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.30 3fdm h TYR 120 CO 0.01 0.36 0.47 0.37 -1.64 0.00 0.00 178.16 177.72 3fdm h GLN 121 N -0.13 0.70 -0.37 1.82 4.15 -1.86 -1.09 115.11 118.33 3fdm h GLN 121 Ca 0.02 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 3fdm h GLN 121 Cb 0.30 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 3fdm h GLN 121 CO 0.00 0.47 -0.08 0.77 -1.93 0.00 0.00 178.83 178.06 3fdm h SER 122 N 0.72 0.61 0.31 -0.69 0.02 -1.15 -0.97 113.55 112.39 3fdm h SER 122 Ca 0.44 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 3fdm h SER 122 Cb 0.51 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3fdm h SER 122 CO -0.30 0.73 -0.15 0.15 -1.14 0.00 0.00 176.83 176.12 3fdm h PHE 123 N 0.58 -0.39 -0.62 3.45 3.57 -0.78 -2.94 116.94 119.82 3fdm h PHE 123 Ca 0.11 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.68 3fdm h PHE 123 Cb 0.49 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.29 3fdm h PHE 123 CO 0.02 -0.04 0.27 1.49 -2.23 0.00 0.00 178.31 177.82 3fdm h GLU 124 N -0.81 0.47 -0.79 1.11 4.81 -1.23 -0.02 114.58 118.13 3fdm h GLU 124 Ca -0.04 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3fdm h GLU 124 Cb 0.52 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 3fdm h GLU 124 CO 0.07 0.31 0.37 1.96 -0.73 0.00 0.00 179.01 180.99 3fdm h GLN 125 N 0.49 1.15 0.00 1.92 4.20 -1.23 -1.07 115.11 120.57 3fdm h GLN 125 Ca 0.30 -0.18 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 3fdm h GLN 125 Cb 0.33 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 27.91 3fdm h GLN 125 CO -0.27 0.90 -0.47 0.28 -0.67 0.00 0.00 178.83 178.61 3fdm h VAL 126 N 1.13 1.48 -0.78 -0.54 2.07 -1.30 -3.18 116.25 115.13 3fdm h VAL 126 Ca 0.27 -2.04 0.01 0.00 0.82 0.00 0.00 66.70 65.76 3fdm h VAL 126 Cb 0.14 2.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 3fdm h VAL 126 CO -0.03 0.58 0.51 0.58 0.02 0.00 0.00 177.57 179.23 3fdm h VAL 127 N -0.27 1.17 -0.55 2.57 2.07 -0.88 -0.88 116.25 119.49 3fdm h VAL 127 Ca -0.06 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3fdm h VAL 127 Cb 1.20 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3fdm h VAL 127 CO 0.09 0.19 0.30 0.78 0.02 0.00 0.00 177.57 178.95 3fdm h ASN 128 N 1.03 0.67 1.00 0.57 -0.26 -1.31 -2.41 115.58 114.86 3fdm h ASN 128 Ca 0.29 -0.05 -0.16 0.00 -0.56 0.00 0.00 56.30 55.83 3fdm h ASN 128 Cb -0.08 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 36.99 3fdm h ASN 128 CO -0.08 0.54 -0.76 -0.33 -1.06 0.00 0.00 177.43 175.74 3fdm h GLU 129 N 0.76 0.00 -0.50 0.81 4.39 -1.40 -2.84 114.58 115.80 3fdm h GLU 129 Ca 0.20 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.84 3fdm h GLU 129 Cb 0.02 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3fdm h GLU 129 CO -0.03 0.76 0.10 1.25 -1.16 0.00 0.00 179.01 179.93 3fdm h LEU 130 N 0.00 0.73 -3.27 1.33 5.85 -0.70 -3.15 115.31 116.10 3fdm h LEU 130 Ca -0.01 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 3fdm h LEU 130 Cb 1.47 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 3fdm h LEU 130 CO 0.10 0.73 -0.03 0.49 -0.34 0.00 0.00 178.44 179.39 3fdm n PHE 131 N -4.27 0.90 0.29 1.25 3.72 -1.01 -4.81 117.46 113.53 3fdm n PHE 131 Ca 0.03 -1.17 -0.18 0.00 -0.05 0.00 0.00 57.45 56.08 3fdm n PHE 131 Cb 0.23 -0.37 -0.10 0.00 -0.94 0.00 0.00 39.48 38.31 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 1.30 -0.98 -0.59 -1.08 2.43 -1.45 -3.08 114.38 110.93 3fdm h ARG 132 Ca 0.09 0.07 -0.18 0.00 -0.81 0.00 0.00 59.98 59.15 3fdm h ARG 132 Cb 1.48 0.22 -0.10 0.00 -0.42 0.00 0.00 29.97 31.15 3fdm h ARG 132 CO 0.26 -0.65 0.17 -0.40 -1.51 0.00 0.00 179.97 177.85 3fdm n ASP 133 N -5.57 4.25 0.00 -3.80 3.85 -1.26 -5.03 116.55 108.99 3fdm n ASP 133 Ca -0.12 -3.28 0.00 0.00 -0.71 0.00 0.00 54.79 50.68 3fdm n ASP 133 Cb 0.47 -0.69 0.00 0.00 -1.35 0.00 0.00 41.12 39.54 3fdm n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3fdm n GLY 134 N -0.41 3.09 3.71 6.12 0.00 -1.16 -5.12 105.19 111.41 3fdm n GLY 134 Ca 0.36 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.03 4.27 0.15 1.61 1.01 -1.26 -4.50 120.40 119.65 3fdm s VAL 135 Ca 0.00 -0.61 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 3fdm s VAL 135 Cb 0.00 -2.94 0.06 0.00 0.00 0.00 0.00 36.38 33.50 3fdm s VAL 135 CO 0.00 0.33 0.54 0.54 0.00 0.00 0.00 175.10 176.51 3fdm s ASN 136 N -1.71 -0.45 0.43 3.32 2.20 -1.26 -5.03 114.94 112.44 3fdm s ASN 136 Ca 0.21 -0.13 0.25 0.00 -0.94 0.00 0.00 52.86 52.25 3fdm s ASN 136 Cb -0.12 0.56 1.28 0.00 -2.00 0.00 0.00 41.25 40.98 3fdm s ASN 136 CO 0.12 -0.95 1.71 -0.50 -2.94 0.00 0.00 177.10 174.55 3fdm h TRP 137 N 2.12 0.54 -0.08 1.54 -0.00 -2.00 -0.58 115.95 117.50 3fdm h TRP 137 Ca -0.33 0.02 -0.16 0.00 -0.00 0.00 0.00 58.89 58.41 3fdm h TRP 137 Cb 1.29 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 30.29 3fdm h TRP 137 CO 0.27 -0.06 -0.65 0.78 -0.00 0.00 0.00 178.44 178.78 3fdm h GLY 138 N 0.23 0.35 1.58 1.49 0.00 -1.99 -1.63 103.07 103.10 3fdm h GLY 138 Ca 0.69 -0.46 -0.23 0.00 0.00 0.00 0.00 47.33 47.33 3fdm h GLY 138 CO -0.32 0.41 -1.00 3.21 0.00 0.00 0.00 176.54 178.84 3fdm h ARG 139 N 0.23 0.36 -0.61 4.80 3.08 -1.54 -1.97 114.38 118.73 3fdm h ARG 139 Ca -0.01 -0.43 -0.05 0.00 0.07 0.00 0.00 59.98 59.55 3fdm h ARG 139 Cb 1.19 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.34 3fdm h ARG 139 CO 0.11 1.12 0.17 0.82 -1.07 0.00 0.00 179.97 181.12 3fdm h ILE 140 N 0.19 1.25 -0.48 2.04 2.04 -1.08 0.12 117.51 121.59 3fdm h ILE 140 Ca -0.09 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 64.92 3fdm h ILE 140 Cb 1.65 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 3fdm h ILE 140 CO 0.17 0.33 0.30 0.58 0.00 0.00 0.00 178.15 179.53 3fdm h VAL 141 N 0.88 1.09 -1.00 1.67 2.07 -1.23 -1.93 116.25 117.80 3fdm h VAL 141 Ca 0.19 -0.21 0.09 0.00 0.82 0.00 0.00 66.70 67.60 3fdm h VAL 141 Cb 0.32 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 3fdm h VAL 141 CO -0.00 0.11 0.64 0.00 0.02 0.00 0.00 177.57 178.34 3fdm h ALA 142 N 1.20 1.48 -0.29 1.67 0.00 -0.72 -0.11 119.26 122.49 3fdm h ALA 142 Ca 0.19 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3fdm h ALA 142 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3fdm h ALA 142 CO -0.06 0.32 -0.03 0.35 0.00 0.00 0.00 179.25 179.83 3fdm h PHE 143 N 1.07 0.59 0.02 0.00 3.57 -0.36 0.12 116.94 121.95 3fdm h PHE 143 Ca 0.46 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.85 3fdm h PHE 143 Cb 0.34 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3fdm h PHE 143 CO -0.00 0.70 -0.05 0.74 -2.23 0.00 0.00 178.31 177.47 3fdm h PHE 144 N 0.31 -0.12 -0.77 0.41 0.04 -0.92 -1.12 116.94 114.77 3fdm h PHE 144 Ca 0.08 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.89 3fdm h PHE 144 Cb 0.49 0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.64 3fdm h PHE 144 CO 0.04 -0.08 0.48 0.77 -0.60 0.00 0.00 178.31 178.93 3fdm h SER 145 N -0.10 0.79 -0.47 2.17 0.02 -0.91 -0.17 113.55 114.89 3fdm h SER 145 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3fdm h SER 145 Cb 0.11 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3fdm h SER 145 CO -0.04 0.53 0.30 0.15 -1.14 0.00 0.00 176.83 176.63 3fdm h PHE 146 N 0.93 0.61 -0.69 3.45 3.57 -0.68 -1.47 116.94 122.66 3fdm h PHE 146 Ca 0.31 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.82 3fdm h PHE 146 Cb 0.05 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3fdm h PHE 146 CO -0.04 0.41 0.43 0.78 -2.23 0.00 0.00 178.31 177.67 3fdm h GLY 147 N 0.63 0.99 0.51 2.40 0.00 -0.57 -1.86 103.07 105.17 3fdm h GLY 147 Ca 0.17 -0.39 0.06 0.00 0.00 0.00 0.00 47.33 47.16 3fdm h GLY 147 CO -0.03 0.38 0.01 -1.33 0.00 0.00 0.00 176.54 175.57 3fdm h GLY 148 N 0.94 0.33 1.05 4.60 0.00 -0.87 -2.19 103.07 106.93 3fdm h GLY 148 Ca 0.25 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 3fdm h GLY 148 CO -0.05 -0.06 0.55 0.00 0.00 0.00 0.00 176.54 176.98 3fdm h ALA 149 N 1.27 1.23 -0.75 3.60 0.00 -0.88 -1.51 119.26 122.22 3fdm h ALA 149 Ca 0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3fdm h ALA 149 Cb 0.21 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3fdm h ALA 149 CO -0.25 0.65 0.30 1.25 0.00 0.00 0.00 179.25 181.20 3fdm h LEU 150 N 1.27 1.04 -0.05 0.00 5.85 -1.22 -0.23 115.31 121.97 3fdm h LEU 150 Ca 0.33 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3fdm h LEU 150 Cb -0.04 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.72 3fdm h LEU 150 CO -0.06 0.93 0.01 0.00 -0.34 0.00 0.00 178.44 178.97 3fdm h VAL 152 N -0.16 0.98 -0.48 0.00 2.07 -1.23 -1.41 116.25 116.02 3fdm h VAL 152 Ca 0.01 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3fdm h VAL 152 Cb 0.26 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3fdm h VAL 152 CO 0.00 0.10 0.29 -0.08 0.02 0.00 0.00 177.57 177.90 3fdm h GLU 153 N 0.55 0.56 -0.61 1.57 4.57 -1.03 0.40 114.58 120.59 3fdm h GLU 153 Ca 0.23 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.41 3fdm h GLU 153 Cb 0.11 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 3fdm h GLU 153 CO -0.14 0.37 0.37 0.77 -1.18 0.00 0.00 179.01 179.19 3fdm h SER 154 N 0.57 0.59 -0.12 1.04 0.02 -0.55 -1.50 113.55 113.60 3fdm h SER 154 Ca 0.19 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.04 3fdm h SER 154 Cb 0.02 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.45 3fdm h SER 154 CO -0.09 0.40 -0.37 0.58 -1.14 0.00 0.00 176.83 176.22 3fdm h VAL 155 N 0.71 1.37 -0.99 2.27 2.07 -1.13 0.56 116.25 121.13 3fdm h VAL 155 Ca 0.25 -1.67 0.31 0.00 0.82 0.00 0.00 66.70 66.41 3fdm h VAL 155 Cb 0.06 2.11 -0.15 0.00 -1.52 0.00 0.00 31.29 31.78 3fdm h VAL 155 CO -0.12 0.50 0.52 0.44 0.02 0.00 0.00 177.57 178.93 3fdm h ASP 156 N 0.06 0.43 -0.48 0.57 5.19 -0.72 -1.24 116.42 120.23 3fdm h ASP 156 Ca -0.01 0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 3fdm h ASP 156 Cb 0.99 0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.66 3fdm h ASP 156 CO 0.08 -0.15 0.00 0.29 -3.12 0.00 0.00 179.24 176.34 3fdm n LYS 157 N -5.08 2.21 -2.84 3.56 5.02 -0.58 -4.91 118.16 115.54 3fdm n LYS 157 Ca 0.30 -1.87 -0.17 0.00 -2.02 0.00 0.00 58.31 54.56 3fdm n LYS 157 Cb 0.95 -1.42 0.03 0.00 -0.02 0.00 0.00 35.03 34.56 3fdm n LYS 157 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3fdm n GLU 158 N 1.03 -3.72 -2.40 1.97 4.07 -0.47 -4.94 120.64 116.17 3fdm n GLU 158 Ca 0.18 0.67 -0.30 0.00 -0.06 0.00 0.00 57.16 57.65 3fdm n GLU 158 Cb 0.45 -5.04 0.01 0.00 -0.06 0.00 0.00 31.44 26.80 3fdm n GLU 158 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 3fdm n MET 159 N -3.20 3.32 0.29 5.31 2.81 0.19 -4.91 117.12 120.94 3fdm n MET 159 Ca -0.08 -4.34 0.17 0.00 -1.81 0.00 0.00 57.70 51.63 3fdm n MET 159 Cb 0.59 -2.26 0.86 0.00 -0.71 0.00 0.00 33.22 31.70 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 2.72 0.00 -0.04 0.03 -0.00 -1.87 -1.57 115.11 114.38 3fdm h GLN 160 Ca 0.35 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 59.01 3fdm h GLN 160 Cb 0.71 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.19 3fdm h GLN 160 CO 0.97 0.06 0.06 -0.39 -0.00 0.00 0.00 178.83 179.53 3fdm h VAL 161 N 0.00 0.31 0.00 1.86 -1.51 -1.92 -2.44 116.25 112.55 3fdm h VAL 161 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.43 3fdm h VAL 161 Cb 0.28 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 30.38 3fdm h VAL 161 CO 0.01 0.00 -0.19 -0.07 -1.23 0.00 0.00 177.57 176.09 3fdm h LEU 162 N 0.00 0.00 -0.02 4.19 3.38 -1.66 -3.31 115.31 117.89 3fdm h LEU 162 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3fdm h LEU 162 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3fdm h LEU 162 CO -0.00 0.19 -0.00 0.58 0.09 0.00 0.00 178.44 179.30 3fdm h VAL 163 N 0.00 0.98 0.00 1.22 2.07 -1.63 0.37 116.25 119.27 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 0.40 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3fdm h VAL 163 CO 0.02 0.00 -0.29 0.77 0.02 0.00 0.00 177.57 178.09 3fdm h SER 164 N 0.00 0.00 -0.06 0.57 4.64 -1.78 -1.39 113.55 115.53 3fdm h SER 164 Ca 0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3fdm h SER 164 Cb 0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3fdm h SER 164 CO -0.02 0.29 -0.00 0.03 -0.87 0.00 0.00 176.83 176.26 3fdm h ARG 165 N 0.00 0.10 -0.83 4.77 3.08 -1.55 -2.42 114.38 117.53 3fdm h ARG 165 Ca -0.00 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.05 3fdm h ARG 165 Cb 0.69 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.68 3fdm h ARG 165 CO 0.04 0.40 0.53 0.82 -1.07 0.00 0.00 179.97 180.68 3fdm h ILE 166 N -0.20 1.12 -0.64 2.04 2.04 -0.79 0.27 117.51 121.35 3fdm h ILE 166 Ca 0.02 -0.35 0.08 0.00 1.00 0.00 0.00 64.86 65.60 3fdm h ILE 166 Cb 0.35 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.38 3fdm h ILE 166 CO 0.00 0.19 0.31 0.00 0.00 0.00 0.00 178.15 178.65 3fdm h ALA 167 N 1.35 0.85 -0.36 1.87 0.00 -1.28 -0.47 119.26 121.22 3fdm h ALA 167 Ca 0.34 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.19 3fdm h ALA 167 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3fdm h ALA 167 CO -0.12 -0.07 -0.19 0.00 0.00 0.00 0.00 179.25 178.86 3fdm h ALA 168 N 1.38 0.51 -0.30 0.00 0.00 -0.84 -1.22 119.26 118.79 3fdm h ALA 168 Ca 0.30 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3fdm h ALA 168 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3fdm h ALA 168 CO -0.24 0.45 -0.16 -1.49 0.00 0.00 0.00 179.25 177.81 3fdm h TRP 169 N 0.55 0.59 -0.18 0.00 6.55 -0.75 -0.30 115.95 122.40 3fdm h TRP 169 Ca 0.08 -0.10 -0.02 0.00 0.95 0.00 0.00 58.89 59.79 3fdm h TRP 169 Cb 0.74 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 28.88 3fdm h TRP 169 CO 0.06 0.67 0.02 0.52 -1.05 0.00 0.00 178.44 178.66 3fdm h MET 170 N 0.49 0.30 -0.50 0.49 2.86 -0.95 -2.11 114.93 115.50 3fdm h MET 170 Ca 0.08 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3fdm h MET 170 Cb 0.57 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 3fdm h MET 170 CO 0.04 0.48 0.19 0.00 1.06 0.00 0.00 176.91 178.67 3fdm h ALA 171 N 0.81 0.66 -0.48 6.32 0.00 -1.06 0.06 119.26 125.56 3fdm h ALA 171 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3fdm h ALA 171 Cb 0.33 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3fdm h ALA 171 CO 0.01 0.28 0.31 1.15 0.00 0.00 0.00 179.25 181.00 3fdm h THR 172 N 0.68 1.11 -0.37 0.00 2.02 -1.11 -1.35 112.91 113.88 3fdm h THR 172 Ca 0.17 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 3fdm h THR 172 Cb 0.22 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3fdm h THR 172 CO -0.01 0.12 0.03 0.22 0.37 0.00 0.00 175.52 176.25 3fdm h TYR 173 N 0.64 0.68 -0.07 3.16 5.03 -1.12 0.33 116.97 125.61 3fdm h TYR 173 Ca 0.18 -0.11 0.04 0.00 2.58 0.00 0.00 58.73 61.42 3fdm h TYR 173 Cb -0.06 -0.18 -0.06 0.00 1.55 0.00 0.00 36.73 37.99 3fdm h TYR 173 CO -0.05 0.70 -0.29 -0.07 -1.32 0.00 0.00 178.16 177.14 3fdm h LEU 174 N 0.46 -0.88 -0.20 2.82 3.38 -0.89 -0.24 115.31 119.77 3fdm h LEU 174 Ca 0.11 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3fdm h LEU 174 Cb 0.41 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3fdm h LEU 174 CO 0.01 -0.34 0.12 0.78 0.09 0.00 0.00 178.44 179.10 3fdm h ASN 175 N -0.39 0.23 1.50 -0.43 2.35 -1.10 0.13 115.58 117.88 3fdm h ASN 175 Ca 0.08 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 3fdm h ASN 175 Cb 0.52 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3fdm h ASN 175 CO -0.30 0.20 -0.51 0.44 -1.65 0.00 0.00 177.43 175.61 3fdm h ASP 176 N 0.25 0.00 0.00 5.81 3.32 -0.87 -3.38 116.42 121.56 3fdm h ASP 176 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3fdm h ASP 176 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3fdm h ASP 176 CO -0.01 0.33 -0.26 1.41 -1.72 0.00 0.00 179.24 178.99 3fdm n HIS 177 N -3.11 0.00 -0.01 4.55 8.25 -0.11 -4.84 115.22 119.95 3fdm n HIS 177 Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 3fdm n HIS 177 Cb 0.67 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.76 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 -0.49 0.00 -0.01 2.41 4.32 -0.90 -4.76 117.00 117.56 3fdm n LEU 178 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.95 3fdm n LEU 178 Cb 0.00 0.07 0.17 0.00 -1.62 0.00 0.00 43.42 42.04 3fdm n LEU 178 CO 0.00 0.07 0.74 -0.08 -1.22 0.00 0.00 177.39 176.89 3fdm h GLU 179 N 0.00 0.56 -0.78 3.23 4.57 -0.92 -0.13 114.58 121.10 3fdm h GLU 179 Ca -0.07 -0.21 0.01 0.00 -1.18 0.00 0.00 59.36 57.90 3fdm h GLU 179 Cb 1.01 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.53 3fdm h GLU 179 CO 0.00 0.75 0.51 -1.35 -1.18 0.00 0.00 179.01 177.75 3fdm h PRO 180 N 0.50 1.03 -0.25 0.92 0.11 -1.85 -0.34 132.00 132.13 3fdm h PRO 180 Ca 0.07 -0.07 -0.19 0.00 0.11 0.00 0.00 66.00 65.93 3fdm h PRO 180 Cb 0.67 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.55 3fdm h PRO 180 CO 0.05 0.69 -0.59 2.35 -0.21 0.00 0.00 178.00 180.29 3fdm h TRP 181 N 1.06 1.07 -0.72 0.65 7.01 -1.76 -2.68 115.95 120.58 3fdm h TRP 181 Ca 0.29 -0.41 0.08 0.00 2.11 0.00 0.00 58.89 60.96 3fdm h TRP 181 Cb -0.11 -0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 26.69 3fdm h TRP 181 CO -0.02 1.23 0.39 0.82 -2.79 0.00 0.00 178.44 178.08 3fdm h ILE 182 N 0.60 0.91 -0.09 2.65 2.04 -0.86 -0.58 117.51 122.19 3fdm h ILE 182 Ca -0.00 -0.23 -0.15 0.00 1.00 0.00 0.00 64.86 65.47 3fdm h ILE 182 Cb 1.21 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3fdm h ILE 182 CO 0.13 0.12 -0.61 1.56 0.00 0.00 0.00 178.15 179.36 3fdm h GLN 183 N 0.68 0.31 0.00 2.37 1.08 -1.05 0.15 115.11 118.66 3fdm h GLN 183 Ca 0.34 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3fdm h GLN 183 Cb 0.29 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 3fdm h GLN 183 CO -0.23 0.83 0.00 0.93 -0.95 0.00 0.00 178.83 179.41 3fdm h GLU 184 N 0.23 0.00 -0.52 1.46 5.08 -1.10 -3.30 114.58 116.44 3fdm h GLU 184 Ca -0.01 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 3fdm h GLU 184 Cb 1.13 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.28 3fdm h GLU 184 CO 0.10 0.00 0.13 0.09 -1.00 0.00 0.00 179.01 178.32 3fdm n ASN 185 N -2.97 3.94 0.00 1.42 3.02 -0.26 -4.92 115.26 115.49 3fdm n ASN 185 Ca 0.03 -3.32 0.00 0.00 -0.03 0.00 0.00 54.58 51.26 3fdm n ASN 185 Cb 0.43 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 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 -0.55 0.76 5.37 7.41 0.00 -1.22 -4.86 105.19 112.10 3fdm n GLY 186 Ca 0.34 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.79 -1.41 0.17 -0.02 0.00 0.52 -2.74 105.19 99.92 3fdm n GLY 187 Ca 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.29 0.00 -0.99 1.61 4.06 -1.95 -2.40 115.95 115.99 3fdm h TRP 188 Ca 0.01 0.00 0.16 0.00 2.06 0.00 0.00 58.89 61.11 3fdm h TRP 188 Cb 0.29 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 28.35 3fdm h TRP 188 CO 0.00 0.44 0.60 -0.44 -3.56 0.00 0.00 178.44 175.49 3fdm h ASP 189 N 0.00 0.83 -0.46 -3.49 3.32 -1.99 -0.85 116.42 113.77 3fdm h ASP 189 Ca -0.00 0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 3fdm h ASP 189 Cb 0.81 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3fdm h ASP 189 CO 0.06 0.36 -0.14 0.74 -1.72 0.00 0.00 179.24 178.54 3fdm h THR 190 N 0.85 1.27 -0.66 0.35 2.02 -1.23 0.16 112.91 115.67 3fdm h THR 190 Ca 0.53 -1.27 0.09 0.00 0.77 0.00 0.00 66.41 66.53 3fdm h THR 190 Cb 0.70 1.13 -0.07 0.00 -1.74 0.00 0.00 68.15 68.17 3fdm h THR 190 CO -0.33 0.44 0.31 0.15 0.37 0.00 0.00 175.52 176.45 3fdm h PHE 191 N 0.75 0.55 -0.61 3.16 3.57 -1.38 0.83 116.94 123.81 3fdm h PHE 191 Ca 0.11 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3fdm h PHE 191 Cb 0.69 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 3fdm h PHE 191 CO 0.05 0.19 0.35 0.28 -2.23 0.00 0.00 178.31 176.95 3fdm h VAL 192 N 0.54 1.19 -0.43 1.41 2.07 -0.75 0.42 116.25 120.69 3fdm h VAL 192 Ca 0.32 -0.46 0.06 0.00 0.82 0.00 0.00 66.70 67.45 3fdm h VAL 192 Cb 0.34 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 3fdm h VAL 192 CO -0.27 0.20 0.11 -0.33 0.02 0.00 0.00 177.57 177.31 3fdm h GLU 193 N 0.82 0.25 -0.21 1.57 5.08 0.09 0.22 114.58 122.40 3fdm h GLU 193 Ca 0.21 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.41 3fdm h GLU 193 Cb 0.02 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3fdm h GLU 193 CO -0.04 0.17 -0.49 -0.07 -1.00 0.00 0.00 179.01 177.58 3fdm h LEU 194 N 0.26 0.62 0.00 1.33 3.38 -0.50 -3.40 115.31 117.01 3fdm h LEU 194 Ca 0.21 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3fdm h LEU 194 Cb 0.23 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3fdm h LEU 194 CO -0.24 1.01 -1.05 -1.22 0.09 0.00 0.00 178.44 177.03 3fdm n TYR 195 N -3.99 0.00 -0.60 1.13 4.01 0.14 -5.06 117.16 112.79 3fdm n TYR 195 Ca -0.03 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.40 3fdm n TYR 195 Cb 0.57 -0.05 0.20 0.00 -0.31 0.00 0.00 39.34 39.75 3fdm n TYR 195 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fdm n GLY 196 N 2.26 -2.39 1.45 2.72 0.00 0.74 -4.87 105.19 105.10 3fdm n GLY 196 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3fdm n GLY 196 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fdm n ASN 197 N -2.72 -7.87 0.00 1.61 3.02 -1.26 -5.02 115.26 103.01 3fdm n ASN 197 Ca 0.01 1.47 0.00 0.00 -0.03 0.00 0.00 54.58 56.03 3fdm n ASN 197 Cb 0.60 -4.48 0.00 0.00 -0.61 0.00 0.00 39.78 35.29 3fdm n ASN 197 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23