#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yxj h ASN 5 N 0.00 0.68 -0.35 -3.46 2.35 -1.99 -2.42 115.58 110.38 2yxj h ASN 5 Ca 0.00 -0.29 0.06 0.00 -0.55 0.00 0.00 56.30 55.51 2yxj h ASN 5 Cb 0.00 -0.18 -0.08 0.00 0.05 0.00 0.00 38.32 38.11 2yxj h ASN 5 CO 0.00 0.80 -0.50 -0.09 -1.65 0.00 0.00 177.43 176.00 2yxj h ARG 6 N 0.53 -0.39 -0.29 0.81 1.12 -1.95 -1.66 114.38 112.56 2yxj h ARG 6 Ca 0.12 0.03 0.07 0.00 -1.11 0.00 0.00 59.98 59.08 2yxj h ARG 6 Cb 0.44 0.09 -0.07 0.00 -0.01 0.00 0.00 29.97 30.42 2yxj h ARG 6 CO 0.02 -0.26 -0.21 1.49 -3.11 0.00 0.00 179.97 177.90 2yxj h GLU 7 N -0.40 -0.18 -0.81 0.20 4.81 -1.99 -1.21 114.58 114.99 2yxj h GLU 7 Ca 0.10 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 2yxj h GLU 7 Cb 0.61 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.98 2yxj h GLU 7 CO -0.56 -0.12 0.52 -0.07 -0.73 0.00 0.00 179.01 178.06 2yxj h LEU 8 N -0.18 0.86 0.19 1.64 3.38 -1.27 -1.20 115.31 118.72 2yxj h LEU 8 Ca 0.15 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2yxj h LEU 8 Cb 0.42 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2yxj h LEU 8 CO -0.40 0.59 -0.09 0.58 0.09 0.00 0.00 178.44 179.21 2yxj h VAL 9 N 1.01 0.88 -0.70 1.22 2.07 -0.75 -1.46 116.25 118.53 2yxj h VAL 9 Ca 0.33 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.50 2yxj h VAL 9 Cb 0.02 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2yxj h VAL 9 CO -0.12 0.08 0.46 0.58 0.02 0.00 0.00 177.57 178.59 2yxj h VAL 10 N -0.43 1.18 -0.22 2.57 2.07 -1.06 0.11 116.25 120.48 2yxj h VAL 10 Ca -0.03 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.17 2yxj h VAL 10 Cb 0.33 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2yxj h VAL 10 CO 0.04 0.18 0.09 -0.78 0.02 0.00 0.00 177.57 177.12 2yxj h ASP 11 N 0.95 0.12 -0.15 0.57 3.58 -1.18 0.16 116.42 120.46 2yxj h ASP 11 Ca 0.25 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.66 2yxj h ASP 11 Cb -0.10 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 40.95 2yxj h ASP 11 CO -0.05 0.10 -0.15 0.15 -2.88 0.00 0.00 179.24 176.41 2yxj h PHE 12 N 0.20 0.43 -0.54 0.28 3.04 -0.89 -2.05 116.94 117.42 2yxj h PHE 12 Ca 0.09 -0.13 -0.05 0.00 3.98 0.00 0.00 57.97 61.86 2yxj h PHE 12 Cb 0.05 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.44 2yxj h PHE 12 CO -0.11 0.75 0.15 -0.07 -2.02 0.00 0.00 178.31 177.01 2yxj h LEU 13 N -0.01 0.81 -0.82 0.59 3.38 -0.73 -1.90 115.31 116.63 2yxj h LEU 13 Ca 0.02 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.86 2yxj h LEU 13 Cb 0.68 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 2yxj h LEU 13 CO 0.04 0.82 0.47 0.28 0.09 0.00 0.00 178.44 180.14 2yxj h SER 14 N 0.76 0.68 -0.19 -0.43 0.02 -0.65 -1.31 113.55 112.43 2yxj h SER 14 Ca 0.17 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2yxj h SER 14 Cb 0.32 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2yxj h SER 14 CO -0.00 0.39 0.08 0.22 -1.14 0.00 0.00 176.83 176.38 2yxj h TYR 15 N 0.80 0.28 -0.19 3.45 3.20 -1.09 -0.29 116.97 123.12 2yxj h TYR 15 Ca 0.39 -0.02 -0.14 0.00 3.14 0.00 0.00 58.73 62.11 2yxj h TYR 15 Cb 0.35 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 2yxj h TYR 15 CO -0.06 0.31 -0.48 0.87 -1.64 0.00 0.00 178.16 177.17 2yxj h LYS 16 N 0.16 0.51 -0.27 1.82 1.79 -1.15 -1.53 116.57 117.89 2yxj h LYS 16 Ca 0.06 -0.29 -0.01 0.00 -2.18 0.00 0.00 60.65 58.24 2yxj h LYS 16 Cb 0.15 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 2yxj h LYS 16 CO -0.01 0.88 0.15 -0.07 -1.08 0.00 0.00 179.45 179.32 2yxj h LEU 17 N 0.41 0.34 -1.33 2.94 3.38 -1.25 -3.14 115.31 116.66 2yxj h LEU 17 Ca 0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2yxj h LEU 17 Cb 0.98 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 2yxj h LEU 17 CO 0.09 0.33 0.28 0.77 0.09 0.00 0.00 178.44 180.00 2yxj h SER 18 N 0.32 0.66 0.37 -0.43 4.64 -0.57 -1.37 113.55 117.17 2yxj h SER 18 Ca 0.09 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2yxj h SER 18 Cb 0.07 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2yxj h SER 18 CO -0.01 0.55 0.00 1.56 -0.87 0.00 0.00 176.83 178.05 2yxj h GLN 19 N 0.75 0.00 -0.02 4.77 4.20 -1.24 -0.72 115.11 122.84 2yxj h GLN 19 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2yxj h GLN 19 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2yxj h GLN 19 CO -0.03 0.00 -0.12 1.63 -0.67 0.00 0.00 178.83 179.64 2yxj n LYS 20 N -3.07 1.83 -0.58 1.46 4.76 -0.56 -4.98 118.16 117.02 2yxj n LYS 20 Ca -0.02 -1.42 0.00 0.00 -2.87 0.00 0.00 58.31 54.00 2yxj n LYS 20 Cb 0.15 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 2yxj n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2yxj n GLY 21 N 1.33 0.66 3.63 0.72 0.00 -0.28 -5.08 105.19 106.17 2yxj n GLY 21 Ca 0.14 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 2yxj n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2yxj s TYR 22 N -2.00 2.93 0.17 1.61 2.02 -0.95 -5.01 117.35 116.11 2yxj s TYR 22 Ca 0.00 -0.03 -0.07 0.00 -0.37 0.00 0.00 57.07 56.60 2yxj s TYR 22 Cb 0.00 -1.58 -0.06 0.00 -0.40 0.00 0.00 41.96 39.92 2yxj s TYR 22 CO 0.00 0.42 0.44 0.45 -1.57 0.00 0.00 175.55 175.29 2yxj s SER 23 N -1.73 6.55 -0.01 2.29 0.15 -1.26 -3.03 113.70 116.67 2yxj s SER 23 Ca 0.20 0.72 -0.22 0.00 0.70 0.00 0.00 55.95 57.35 2yxj s SER 23 Cb -0.11 -2.15 -0.13 0.00 -1.71 0.00 0.00 66.02 61.93 2yxj s SER 23 CO 0.11 0.02 0.93 -0.25 1.20 0.00 0.00 173.24 175.25 2yxj h TRP 24 N 2.81 -0.69 -6.40 3.44 2.91 -1.93 -3.49 115.95 112.61 2yxj h TRP 24 Ca -0.47 -0.02 -0.47 0.00 1.13 0.00 0.00 58.89 59.06 2yxj h TRP 24 Cb 1.17 0.23 0.02 0.00 -0.51 0.00 0.00 29.16 30.07 2yxj h TRP 24 CO 0.62 -0.40 -0.92 -1.13 -1.03 0.00 0.00 178.44 175.57 2yxj n SER 25 N -5.27 -3.05 0.00 2.65 3.41 -1.26 -5.11 113.62 104.99 2yxj n SER 25 Ca -0.10 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 2yxj n SER 25 Cb 0.31 -3.11 0.00 0.00 -0.26 0.00 0.00 64.21 61.15 2yxj n SER 25 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2yxj n SER 83 N -2.77 0.00 -0.10 4.04 3.41 -1.26 -5.25 113.62 111.70 2yxj n SER 83 Ca -0.19 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.34 2yxj n SER 83 Cb 0.63 -0.37 0.07 0.00 -0.26 0.00 0.00 64.21 64.28 2yxj n SER 83 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2yxj h GLU 84 N 1.09 0.81 -0.69 4.33 4.39 -2.05 0.10 114.58 122.57 2yxj h GLU 84 Ca 0.00 -0.34 -0.05 0.00 0.34 0.00 0.00 59.36 59.31 2yxj h GLU 84 Cb 0.00 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 2yxj h GLU 84 CO 0.00 0.96 0.24 0.00 -1.16 0.00 0.00 179.01 179.05 2yxj h ALA 85 N 1.03 0.90 0.07 3.43 0.00 -2.03 0.64 119.26 123.31 2yxj h ALA 85 Ca 0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2yxj h ALA 85 Cb 0.76 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2yxj h ALA 85 CO 0.06 0.56 -0.03 0.28 0.00 0.00 0.00 179.25 180.11 2yxj h VAL 86 N 1.00 1.07 -0.01 0.00 2.07 -1.84 -1.36 116.25 117.18 2yxj h VAL 86 Ca 0.23 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.27 2yxj h VAL 86 Cb 0.27 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2yxj h VAL 86 CO -0.01 0.12 -0.22 0.11 0.02 0.00 0.00 177.57 177.59 2yxj h LYS 87 N -0.32 -0.33 -0.49 1.57 1.57 -0.64 -0.80 116.57 117.12 2yxj h LYS 87 Ca -0.01 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2yxj h LYS 87 Cb 0.28 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 2yxj h LYS 87 CO 0.02 -0.22 0.28 0.37 -0.57 0.00 0.00 179.45 179.32 2yxj h GLN 88 N -0.35 0.53 -0.22 3.15 4.15 -0.83 -1.59 115.11 119.95 2yxj h GLN 88 Ca 0.06 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 2yxj h GLN 88 Cb 0.43 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2yxj h GLN 88 CO -0.21 0.35 0.05 0.00 -1.93 0.00 0.00 178.83 177.10 2yxj h ALA 89 N 1.24 1.68 -0.08 3.38 0.00 -1.04 -1.09 119.26 123.35 2yxj h ALA 89 Ca 0.21 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 2yxj h ALA 89 Cb 0.06 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.76 2yxj h ALA 89 CO -0.11 0.25 -0.65 1.25 0.00 0.00 0.00 179.25 179.98 2yxj h LEU 90 N 0.31 0.71 -0.17 0.00 5.85 -0.61 -1.86 115.31 119.55 2yxj h LEU 90 Ca 0.08 -0.67 -0.00 0.00 0.84 0.00 0.00 57.88 58.12 2yxj h LEU 90 Cb 0.13 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2yxj h LEU 90 CO -0.00 1.28 0.10 0.03 -0.34 0.00 0.00 178.44 179.51 2yxj h ARG 91 N 0.20 0.23 -0.47 1.25 3.08 -1.01 -0.00 114.38 117.67 2yxj h ARG 91 Ca -0.06 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 59.98 2yxj h ARG 91 Cb 1.31 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 2yxj h ARG 91 CO 0.13 0.19 0.30 0.93 -1.07 0.00 0.00 179.97 180.45 2yxj h GLU 92 N 0.21 0.59 -0.79 0.04 5.08 -1.25 -0.64 114.58 117.82 2yxj h GLU 92 Ca 0.06 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2yxj h GLU 92 Cb 0.01 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2yxj h GLU 92 CO -0.01 0.39 0.30 0.00 -1.00 0.00 0.00 179.01 178.69 2yxj h ALA 93 N 1.18 1.04 0.04 3.43 0.00 -1.21 -2.04 119.26 121.70 2yxj h ALA 93 Ca 0.18 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2yxj h ALA 93 Cb -0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 2yxj h ALA 93 CO -0.05 0.67 -0.15 0.78 0.00 0.00 0.00 179.25 180.50 2yxj h GLY 94 N 1.16 -0.22 -0.15 0.00 0.00 -0.65 0.19 103.07 103.40 2yxj h GLY 94 Ca 0.26 0.17 0.19 0.00 0.00 0.00 0.00 47.33 47.95 2yxj h GLY 94 CO -0.02 -0.15 0.25 -0.55 0.00 0.00 0.00 176.54 176.08 2yxj h ASP 95 N -0.27 0.11 -0.03 0.19 3.32 -0.92 -1.41 116.42 117.42 2yxj h ASP 95 Ca 0.04 0.15 -0.22 0.00 0.02 0.00 0.00 57.03 57.03 2yxj h ASP 95 Cb 0.31 0.18 0.02 0.00 0.22 0.00 0.00 39.33 40.06 2yxj h ASP 95 CO -0.12 -0.03 -0.82 -0.08 -1.72 0.00 0.00 179.24 176.47 2yxj h GLU 96 N 0.31 0.60 -0.81 3.56 4.57 -1.10 -2.93 114.58 118.77 2yxj h GLU 96 Ca 0.48 -0.62 0.07 0.00 -1.18 0.00 0.00 59.36 58.11 2yxj h GLU 96 Cb 0.86 0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 29.55 2yxj h GLU 96 CO -0.53 1.23 0.49 0.35 -1.18 0.00 0.00 179.01 179.36 2yxj h PHE 97 N 0.22 0.90 0.00 0.92 3.04 -0.45 -1.10 116.94 120.47 2yxj h PHE 97 Ca -0.10 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.85 2yxj h PHE 97 Cb 1.49 -0.29 -0.00 0.00 2.56 0.00 0.00 35.95 39.71 2yxj h PHE 97 CO 0.12 0.44 -0.14 0.93 -2.02 0.00 0.00 178.31 177.64 2yxj h GLU 98 N 0.88 0.00 0.00 1.11 5.08 -1.14 0.12 114.58 120.63 2yxj h GLU 98 Ca 0.36 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.63 2yxj h GLU 98 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2yxj h GLU 98 CO -0.19 0.14 -0.64 1.25 -1.00 0.00 0.00 179.01 178.57 2yxj h LEU 99 N 0.00 0.00 -1.09 1.33 7.12 -1.39 -2.94 115.31 118.35 2yxj h LEU 99 Ca -0.00 -0.42 0.08 0.00 0.13 0.00 0.00 57.88 57.67 2yxj h LEU 99 Cb 0.60 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.67 2yxj h LEU 99 CO 0.02 1.08 0.62 0.03 -0.13 0.00 0.00 178.44 180.05 2yxj h ARG 100 N -1.00 1.03 -0.71 1.25 3.08 -1.03 -2.92 114.38 114.08 2yxj h ARG 100 Ca -0.14 -0.06 -0.47 0.00 0.07 0.00 0.00 59.98 59.37 2yxj h ARG 100 Cb 0.87 -0.23 -0.29 0.00 0.08 0.00 0.00 29.97 30.40 2yxj h ARG 100 CO -0.09 0.68 -0.05 0.66 -1.07 0.00 0.00 179.97 180.10 2yxj n TYR 101 N -4.51 2.39 0.25 3.04 4.01 0.40 -4.74 117.16 118.00 2yxj n TYR 101 Ca 0.15 -2.25 0.11 0.00 -0.16 0.00 0.00 57.90 55.75 2yxj n TYR 101 Cb 0.23 -0.73 0.66 0.00 -0.31 0.00 0.00 39.34 39.18 2yxj n TYR 101 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 2yxj h ARG 102 N 1.72 0.00 0.02 -0.72 0.11 -1.32 -0.55 114.38 113.65 2yxj h ARG 102 Ca 0.41 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.48 2yxj h ARG 102 Cb 1.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.51 2yxj h ARG 102 CO 0.90 0.15 -0.01 -0.09 0.10 0.00 0.00 179.97 181.02 2yxj h ARG 103 N 0.00 -0.03 -0.89 0.08 2.43 -1.87 -2.04 114.38 112.06 2yxj h ARG 103 Ca -0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2yxj h ARG 103 Cb 0.40 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 2yxj h ARG 103 CO 0.02 0.34 0.59 0.00 -1.51 0.00 0.00 179.97 179.41 2yxj h ALA 104 N 0.56 1.45 0.01 2.80 0.00 -1.81 0.37 119.26 122.64 2yxj h ALA 104 Ca -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2yxj h ALA 104 Cb 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2yxj h ALA 104 CO 0.01 0.45 -0.08 0.35 0.00 0.00 0.00 179.25 179.98 2yxj h PHE 105 N 1.10 -0.19 0.00 0.00 3.57 -1.08 -1.93 116.94 118.41 2yxj h PHE 105 Ca 0.36 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.73 2yxj h PHE 105 Cb 0.05 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2yxj h PHE 105 CO -0.00 -0.12 -0.66 0.66 -2.23 0.00 0.00 178.31 175.96 2yxj h SER 106 N -0.14 0.00 -0.65 0.41 4.64 -0.98 -0.94 113.55 115.89 2yxj h SER 106 Ca 0.03 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.36 2yxj h SER 106 Cb 0.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 2yxj h SER 106 CO -0.07 0.66 0.43 0.44 -0.87 0.00 0.00 176.83 177.42 2yxj h ASP 107 N 0.00 0.73 0.30 4.97 3.32 -0.84 -2.00 116.42 122.90 2yxj h ASP 107 Ca -0.01 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2yxj h ASP 107 Cb 1.19 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.56 2yxj h ASP 107 CO 0.09 0.52 -0.14 0.25 -1.72 0.00 0.00 179.24 178.23 2yxj h LEU 108 N 0.86 -0.34 -0.64 1.55 5.85 -0.97 -3.13 115.31 118.49 2yxj h LEU 108 Ca 0.24 -0.07 0.13 0.00 0.84 0.00 0.00 57.88 59.02 2yxj h LEU 108 Cb -0.07 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 40.95 2yxj h LEU 108 CO -0.06 0.13 0.10 0.74 -0.34 0.00 0.00 178.44 179.01 2yxj h THR 109 N -1.07 0.56 0.00 1.05 2.02 -1.19 0.67 112.91 114.95 2yxj h THR 109 Ca -0.04 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2yxj h THR 109 Cb 0.39 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2yxj h THR 109 CO 0.07 0.04 0.00 -1.54 0.37 0.00 0.00 175.52 174.46 2yxj n SER 110 N -5.18 0.00 -0.03 4.18 3.41 -0.75 -3.01 113.62 112.23 2yxj n SER 110 Ca 0.10 0.11 0.05 0.00 -0.26 0.00 0.00 58.87 58.87 2yxj n SER 110 Cb 0.37 -0.34 -0.05 0.00 -0.26 0.00 0.00 64.21 63.92 2yxj n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yxj n GLN 111 N -1.34 3.25 -2.30 4.33 1.13 0.09 -4.90 117.38 117.64 2yxj n GLN 111 Ca 0.09 -0.08 -0.43 0.00 -1.94 0.00 0.00 57.00 54.64 2yxj n GLN 111 Cb 0.20 -1.02 -0.02 0.00 0.11 0.00 0.00 30.24 29.51 2yxj n GLN 111 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2yxj s LEU 112 N -2.41 3.67 -0.73 1.08 1.43 -0.39 -4.96 118.68 116.37 2yxj s LEU 112 Ca 0.05 1.04 -0.17 0.00 -1.03 0.00 0.00 54.13 54.02 2yxj s LEU 112 Cb 0.08 -3.54 0.16 0.00 0.03 0.00 0.00 46.19 42.92 2yxj s LEU 112 CO 0.42 -1.37 0.77 -2.28 0.23 0.00 0.00 176.35 174.12 2yxj s HIS 113 N 5.34 3.35 -0.03 0.29 5.65 -1.26 -4.99 115.29 123.64 2yxj s HIS 113 Ca 0.63 -1.48 -0.30 0.00 0.25 0.00 0.00 55.06 54.16 2yxj s HIS 113 Cb -0.16 -3.95 -0.03 0.00 -1.18 0.00 0.00 32.58 27.25 2yxj s HIS 113 CO 0.30 -1.17 1.12 0.42 -0.65 0.00 0.00 174.74 174.76 2yxj s ILE 114 N 1.55 4.43 0.08 0.89 -1.09 -1.26 -4.93 121.20 120.88 2yxj s ILE 114 Ca 0.16 1.74 0.02 0.00 -2.23 0.00 0.00 60.65 60.34 2yxj s ILE 114 Cb -0.16 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 2yxj s ILE 114 CO -0.03 0.05 -0.07 0.42 -1.23 0.00 0.00 174.94 174.09 2yxj s THR 115 N 1.70 0.64 0.44 2.92 -4.23 -1.26 -5.04 115.64 110.81 2yxj s THR 115 Ca 0.54 -1.75 0.15 0.00 -1.18 0.00 0.00 61.69 59.46 2yxj s THR 115 Cb -0.24 -1.45 0.18 0.00 1.34 0.00 0.00 72.50 72.34 2yxj s THR 115 CO 0.24 -0.77 1.99 -0.65 -0.54 0.00 0.00 174.62 174.88 2yxj h PRO 116 N 3.30 0.00 0.00 3.99 0.11 -1.98 -0.26 132.00 137.16 2yxj h PRO 116 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2yxj h PRO 116 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2yxj h PRO 116 CO 0.60 0.19 0.00 0.41 -0.21 0.00 0.00 178.00 178.99 2yxj n GLY 117 N -0.95 -1.16 0.00 -0.55 0.00 -1.26 -3.67 105.19 97.60 2yxj n GLY 117 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2yxj n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2yxj n THR 118 N -1.36 0.00 -0.22 2.61 -2.24 -0.98 -4.88 114.28 107.22 2yxj n THR 118 Ca 0.10 -0.33 -0.06 0.00 -2.27 0.00 0.00 64.05 61.49 2yxj n THR 118 Cb 0.22 1.21 0.04 0.00 -2.10 0.00 0.00 70.33 69.70 2yxj n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yxj h ALA 119 N 0.00 0.79 -0.35 6.98 0.00 -1.13 -1.15 119.26 124.40 2yxj h ALA 119 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2yxj h ALA 119 Cb 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2yxj h ALA 119 CO 0.00 0.26 0.18 -0.92 0.00 0.00 0.00 179.25 178.76 2yxj h TYR 120 N 0.84 0.50 -0.38 0.00 3.20 -1.87 -1.59 116.97 117.67 2yxj h TYR 120 Ca 0.22 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.14 2yxj h TYR 120 Cb -0.04 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.02 2yxj h TYR 120 CO -0.02 0.42 0.02 0.37 -1.64 0.00 0.00 178.16 177.30 2yxj h GLN 121 N 0.44 0.12 -0.16 1.82 4.15 -1.83 0.14 115.11 119.78 2yxj h GLN 121 Ca 0.12 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 2yxj h GLN 121 Cb 0.10 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 2yxj h GLN 121 CO -0.02 0.08 0.10 0.77 -1.93 0.00 0.00 178.83 177.83 2yxj h SER 122 N 0.12 0.20 -0.24 -0.69 0.02 -1.02 -0.13 113.55 111.80 2yxj h SER 122 Ca 0.18 -0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 2yxj h SER 122 Cb 0.25 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 2yxj h SER 122 CO -0.29 0.19 -0.11 0.15 -1.14 0.00 0.00 176.83 175.62 2yxj h PHE 123 N 0.19 -0.26 -0.51 3.45 3.57 -1.01 -2.61 116.94 119.75 2yxj h PHE 123 Ca 0.06 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 2yxj h PHE 123 Cb 0.03 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2yxj h PHE 123 CO -0.05 -0.17 0.04 1.49 -2.23 0.00 0.00 178.31 177.38 2yxj h GLU 124 N -0.08 0.88 -0.88 1.11 4.81 -0.36 -1.16 114.58 118.90 2yxj h GLU 124 Ca 0.13 -0.26 0.06 0.00 -0.13 0.00 0.00 59.36 59.16 2yxj h GLU 124 Cb 0.27 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 2yxj h GLU 124 CO -0.29 0.89 0.55 0.37 -0.73 0.00 0.00 179.01 179.80 2yxj h GLN 125 N 0.75 0.97 0.21 1.92 4.15 -1.00 0.24 115.11 122.35 2yxj h GLN 125 Ca 0.15 -0.06 -0.31 0.00 0.77 0.00 0.00 58.65 59.20 2yxj h GLN 125 Cb 0.47 -0.22 0.02 0.00 0.21 0.00 0.00 27.48 27.97 2yxj h GLN 125 CO 0.02 0.64 -1.43 0.28 -1.93 0.00 0.00 178.83 176.41 2yxj h VAL 126 N 1.00 1.21 -0.65 2.39 2.07 -1.27 -2.20 116.25 118.80 2yxj h VAL 126 Ca 0.38 -2.59 -0.08 0.00 0.82 0.00 0.00 66.70 65.23 2yxj h VAL 126 Cb 0.17 2.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 2yxj h VAL 126 CO -0.17 0.80 0.10 0.58 0.02 0.00 0.00 177.57 178.89 2yxj h VAL 127 N 0.00 1.26 -0.26 2.57 2.07 -1.15 -0.08 116.25 120.66 2yxj h VAL 127 Ca -0.27 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.22 2yxj h VAL 127 Cb 2.02 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 2yxj h VAL 127 CO 0.21 0.39 0.17 0.78 0.02 0.00 0.00 177.57 179.14 2yxj h ASN 128 N 0.99 0.31 -0.53 0.57 4.21 -1.00 -2.67 115.58 117.46 2yxj h ASN 128 Ca 0.20 -0.02 0.06 0.00 1.21 0.00 0.00 56.30 57.75 2yxj h ASN 128 Cb 0.44 -0.08 -0.05 0.00 -1.12 0.00 0.00 38.32 37.51 2yxj h ASN 128 CO 0.01 0.23 0.23 -0.08 -1.29 0.00 0.00 177.43 176.54 2yxj h GLU 129 N 0.35 0.43 -0.39 0.81 4.81 -1.20 -1.90 114.58 117.49 2yxj h GLU 129 Ca 0.10 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2yxj h GLU 129 Cb -0.03 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 2yxj h GLU 129 CO -0.02 0.29 0.04 1.25 -0.73 0.00 0.00 179.01 179.83 2yxj h LEU 130 N 0.44 0.56 -2.47 1.64 5.85 -0.74 -2.95 115.31 117.64 2yxj h LEU 130 Ca 0.25 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2yxj h LEU 130 Cb 0.22 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2yxj h LEU 130 CO -0.21 0.60 0.00 0.49 -0.34 0.00 0.00 178.44 178.98 2yxj n PHE 131 N -4.28 0.43 -0.34 1.25 3.72 -1.03 -4.66 117.46 112.54 2yxj n PHE 131 Ca 0.02 -0.35 0.11 0.00 -0.05 0.00 0.00 57.45 57.18 2yxj n PHE 131 Cb 0.24 -0.01 0.31 0.00 -0.94 0.00 0.00 39.48 39.07 2yxj n PHE 131 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2yxj h ARG 132 N 2.75 0.79 -0.61 -1.08 2.43 -1.16 -1.75 114.38 115.75 2yxj h ARG 132 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2yxj h ARG 132 Cb 0.75 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2yxj h ARG 132 CO 0.00 0.52 0.00 -0.25 -1.51 0.00 0.00 179.97 178.73 2yxj n ASP 133 N -4.69 4.18 0.00 -3.80 8.00 -1.26 -5.06 116.55 113.92 2yxj n ASP 133 Ca 0.21 -2.26 0.00 0.00 0.71 0.00 0.00 54.79 53.45 2yxj n ASP 133 Cb 0.50 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 2yxj n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2yxj n GLY 134 N 1.13 1.57 3.27 0.44 0.00 -0.66 -5.09 105.19 105.84 2yxj n GLY 134 Ca 0.23 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 2yxj n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yxj s VAL 135 N -1.37 1.96 0.22 1.61 1.01 -1.26 -4.49 120.40 118.09 2yxj s VAL 135 Ca 0.00 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 60.86 2yxj s VAL 135 Cb 0.00 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 2yxj s VAL 135 CO 0.00 0.55 0.35 0.54 0.00 0.00 0.00 175.10 176.54 2yxj s ASN 136 N -0.32 -0.01 0.24 3.32 2.20 -1.26 -5.03 114.94 114.08 2yxj s ASN 136 Ca 0.02 -1.06 -0.05 0.00 -0.94 0.00 0.00 52.86 50.83 2yxj s ASN 136 Cb -0.12 0.51 0.41 0.00 -2.00 0.00 0.00 41.25 40.05 2yxj s ASN 136 CO 0.02 -1.02 1.78 -0.50 -2.94 0.00 0.00 177.10 174.43 2yxj h TRP 137 N 2.39 0.72 -0.87 1.54 -0.00 -2.00 -1.57 115.95 116.16 2yxj h TRP 137 Ca -0.30 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.66 2yxj h TRP 137 Cb 1.25 -0.20 -0.05 0.00 -0.00 0.00 0.00 29.16 30.15 2yxj h TRP 137 CO 0.38 0.24 0.56 0.78 -0.00 0.00 0.00 178.44 180.40 2yxj h GLY 138 N 0.65 1.27 1.54 1.49 0.00 -1.99 0.00 103.07 106.03 2yxj h GLY 138 Ca 0.39 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 47.19 2yxj h GLY 138 CO -0.29 0.35 -0.33 3.21 0.00 0.00 0.00 176.54 179.47 2yxj h ARG 139 N 1.07 0.52 -0.71 4.80 3.08 -1.80 -1.15 114.38 120.19 2yxj h ARG 139 Ca 0.35 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 2yxj h ARG 139 Cb 0.04 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2yxj h ARG 139 CO -0.13 0.79 0.35 0.82 -1.07 0.00 0.00 179.97 180.73 2yxj h ILE 140 N 0.45 1.23 -0.30 2.04 2.04 -0.45 0.21 117.51 122.73 2yxj h ILE 140 Ca 0.05 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 2yxj h ILE 140 Cb 0.80 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2yxj h ILE 140 CO 0.06 0.27 0.15 0.58 0.00 0.00 0.00 178.15 179.21 2yxj h VAL 141 N 1.00 1.15 -0.73 1.67 2.07 -0.58 -2.43 116.25 118.40 2yxj h VAL 141 Ca 0.25 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.37 2yxj h VAL 141 Cb 0.11 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 2yxj h VAL 141 CO -0.03 0.16 0.48 0.00 0.02 0.00 0.00 177.57 178.20 2yxj h ALA 142 N 1.00 1.61 -0.30 1.67 0.00 -0.95 -1.66 119.26 120.63 2yxj h ALA 142 Ca 0.10 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2yxj h ALA 142 Cb 0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2yxj h ALA 142 CO -0.01 0.30 0.06 0.35 0.00 0.00 0.00 179.25 179.95 2yxj h PHE 143 N 0.85 0.10 -0.62 0.00 3.57 -0.52 0.61 116.94 120.92 2yxj h PHE 143 Ca 0.30 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.75 2yxj h PHE 143 Cb 0.12 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 2yxj h PHE 143 CO -0.00 0.02 0.13 0.74 -2.23 0.00 0.00 178.31 176.98 2yxj h PHE 144 N 0.17 1.04 -0.62 0.41 0.04 -0.92 -2.17 116.94 114.89 2yxj h PHE 144 Ca 0.14 -0.12 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 2yxj h PHE 144 Cb 0.15 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 2yxj h PHE 144 CO -0.17 0.86 0.08 0.77 -0.60 0.00 0.00 178.31 179.24 2yxj h SER 145 N 0.94 1.00 -0.11 2.17 0.02 -1.01 -1.07 113.55 115.49 2yxj h SER 145 Ca 0.20 -0.27 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2yxj h SER 145 Cb 0.36 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2yxj h SER 145 CO 0.00 1.02 -0.01 0.15 -1.14 0.00 0.00 176.83 176.85 2yxj h PHE 146 N 0.94 -0.03 -0.98 3.45 3.57 -0.77 0.15 116.94 123.27 2yxj h PHE 146 Ca 0.18 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.73 2yxj h PHE 146 Cb 0.46 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 2yxj h PHE 146 CO 0.03 -0.03 0.64 0.78 -2.23 0.00 0.00 178.31 177.51 2yxj h GLY 147 N 0.02 1.45 0.90 2.40 0.00 -1.22 0.88 103.07 107.50 2yxj h GLY 147 Ca 0.05 -0.49 0.02 0.00 0.00 0.00 0.00 47.33 46.91 2yxj h GLY 147 CO -0.10 0.41 0.15 -1.33 0.00 0.00 0.00 176.54 175.67 2yxj h GLY 148 N 1.23 0.39 0.95 4.60 0.00 -0.73 -1.50 103.07 108.01 2yxj h GLY 148 Ca 0.40 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.63 2yxj h GLY 148 CO -0.13 0.09 0.33 0.00 0.00 0.00 0.00 176.54 176.84 2yxj h ALA 149 N 1.14 0.67 -0.88 3.60 0.00 -0.23 -0.97 119.26 122.59 2yxj h ALA 149 Ca 0.12 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2yxj h ALA 149 Cb 0.02 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2yxj h ALA 149 CO -0.07 0.07 0.55 1.25 0.00 0.00 0.00 179.25 181.05 2yxj h LEU 150 N 0.67 0.86 0.10 0.00 5.85 -0.68 -1.26 115.31 120.85 2yxj h LEU 150 Ca 0.20 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 2yxj h LEU 150 Cb -0.04 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.83 2yxj h LEU 150 CO -0.07 0.54 -0.05 0.00 -0.34 0.00 0.00 178.44 178.53 2yxj h VAL 152 N -0.62 0.67 -0.51 0.00 2.07 -1.19 -1.53 116.25 115.14 2yxj h VAL 152 Ca -0.01 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 2yxj h VAL 152 Cb 0.49 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2yxj h VAL 152 CO 0.02 0.05 -0.09 -0.08 0.02 0.00 0.00 177.57 177.49 2yxj h GLU 153 N 0.28 0.93 -0.83 1.57 4.57 -1.18 -1.64 114.58 118.28 2yxj h GLU 153 Ca 0.31 -0.32 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2yxj h GLU 153 Cb 0.44 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 2yxj h GLU 153 CO -0.38 0.98 0.38 0.77 -1.18 0.00 0.00 179.01 179.58 2yxj h SER 154 N 0.84 1.10 -0.24 1.04 0.02 -0.57 -2.49 113.55 113.25 2yxj h SER 154 Ca 0.14 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2yxj h SER 154 Cb 0.63 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2yxj h SER 154 CO 0.04 0.94 -0.02 0.58 -1.14 0.00 0.00 176.83 177.24 2yxj h VAL 155 N 1.19 1.26 -0.89 2.27 2.07 -1.00 0.33 116.25 121.48 2yxj h VAL 155 Ca 0.28 -0.95 0.23 0.00 0.82 0.00 0.00 66.70 67.08 2yxj h VAL 155 Cb 0.14 1.40 -0.13 0.00 -1.52 0.00 0.00 31.29 31.19 2yxj h VAL 155 CO -0.03 0.30 0.37 0.44 0.02 0.00 0.00 177.57 178.66 2yxj h ASP 156 N 0.20 0.27 -0.37 0.57 3.32 -1.18 0.93 116.42 120.16 2yxj h ASP 156 Ca 0.07 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2yxj h ASP 156 Cb 0.44 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2yxj h ASP 156 CO 0.02 -0.04 0.00 0.29 -1.72 0.00 0.00 179.24 177.79 2yxj n LYS 157 N -5.08 2.04 -3.66 3.56 4.76 -0.95 -4.90 118.16 113.92 2yxj n LYS 157 Ca 0.22 -1.40 -0.23 0.00 -2.87 0.00 0.00 58.31 54.03 2yxj n LYS 157 Cb 0.67 -1.38 0.06 0.00 -1.84 0.00 0.00 35.03 32.54 2yxj n LYS 157 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2yxj n GLU 158 N 0.57 -6.24 -2.43 1.97 1.02 0.32 -4.92 120.64 110.92 2yxj n GLU 158 Ca 0.13 0.72 -0.27 0.00 -0.02 0.00 0.00 57.16 57.72 2yxj n GLU 158 Cb 0.38 -5.59 0.00 0.00 -0.02 0.00 0.00 31.44 26.21 2yxj n GLU 158 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2yxj n MET 159 N -4.52 3.44 0.07 3.49 2.81 0.11 -4.85 117.12 117.67 2yxj n MET 159 Ca -0.14 -4.47 0.19 0.00 -1.81 0.00 0.00 57.70 51.48 2yxj n MET 159 Cb 0.61 -2.25 0.73 0.00 -0.71 0.00 0.00 33.22 31.60 2yxj n MET 159 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2yxj h GLN 160 N 2.54 0.00 -0.50 0.03 7.50 -1.84 -1.28 115.11 121.56 2yxj h GLN 160 Ca 0.31 0.00 0.15 0.00 0.50 0.00 0.00 58.65 59.60 2yxj h GLN 160 Cb 0.99 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.50 2yxj h GLN 160 CO 0.84 0.00 0.39 -0.39 -1.50 0.00 0.00 178.83 178.17 2yxj h VAL 161 N 0.00 0.66 0.00 -0.54 -1.51 -1.92 -2.27 116.25 110.67 2yxj h VAL 161 Ca 0.20 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.64 2yxj h VAL 161 Cb 0.89 0.72 -0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2yxj h VAL 161 CO -0.00 0.00 -0.13 -0.07 -1.23 0.00 0.00 177.57 176.14 2yxj h LEU 162 N 0.00 0.00 -0.13 4.19 3.38 -1.62 -3.34 115.31 117.79 2yxj h LEU 162 Ca 0.24 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.25 2yxj h LEU 162 Cb 1.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 2yxj h LEU 162 CO -0.00 0.13 -0.13 0.58 0.09 0.00 0.00 178.44 179.10 2yxj h VAL 163 N 0.00 0.63 -0.19 1.22 2.07 -1.58 0.24 116.25 118.65 2yxj h VAL 163 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 2yxj h VAL 163 Cb 0.82 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2yxj h VAL 163 CO 0.02 0.00 -0.09 0.77 0.02 0.00 0.00 177.57 178.29 2yxj h SER 164 N -0.16 0.27 -0.18 0.57 4.64 -1.77 -2.13 113.55 114.78 2yxj h SER 164 Ca 0.09 -0.05 -0.21 0.00 -0.47 0.00 0.00 61.79 61.15 2yxj h SER 164 Cb 0.29 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2yxj h SER 164 CO -0.23 0.39 -0.71 0.03 -0.87 0.00 0.00 176.83 175.44 2yxj h ARG 165 N 0.28 0.80 -0.79 4.77 3.08 -1.40 -2.64 114.38 118.48 2yxj h ARG 165 Ca 0.06 -0.62 -0.01 0.00 0.07 0.00 0.00 59.98 59.47 2yxj h ARG 165 Cb 0.33 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 2yxj h ARG 165 CO 0.02 1.23 0.43 0.82 -1.07 0.00 0.00 179.97 181.40 2yxj h ILE 166 N 0.55 1.23 -0.84 2.04 2.04 -0.13 -0.82 117.51 121.59 2yxj h ILE 166 Ca -0.04 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 2yxj h ILE 166 Cb 1.34 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 2yxj h ILE 166 CO 0.15 0.26 0.41 0.00 0.00 0.00 0.00 178.15 178.97 2yxj h ALA 167 N 1.38 1.15 -0.20 1.87 0.00 -1.37 -1.14 119.26 120.95 2yxj h ALA 167 Ca 0.28 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2yxj h ALA 167 Cb 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2yxj h ALA 167 CO -0.05 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 179.84 2yxj h ALA 168 N 1.26 0.28 -0.98 0.00 0.00 -0.95 -2.26 119.26 116.61 2yxj h ALA 168 Ca 0.29 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2yxj h ALA 168 Cb 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2yxj h ALA 168 CO -0.04 0.02 0.65 -1.49 0.00 0.00 0.00 179.25 178.39 2yxj h TRP 169 N 0.12 1.23 -0.24 0.00 6.55 -1.02 -1.82 115.95 120.77 2yxj h TRP 169 Ca 0.06 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.91 2yxj h TRP 169 Cb 0.44 -0.42 -0.01 0.00 -0.86 0.00 0.00 29.16 28.31 2yxj h TRP 169 CO 0.04 0.77 0.10 0.52 -1.05 0.00 0.00 178.44 178.82 2yxj h MET 170 N 1.32 0.36 -0.78 0.49 2.86 -1.17 -2.00 114.93 116.00 2yxj h MET 170 Ca 0.36 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.89 2yxj h MET 170 Cb -0.14 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.43 2yxj h MET 170 CO -0.08 0.39 0.31 0.00 1.06 0.00 0.00 176.91 178.58 2yxj h ALA 171 N 0.95 1.06 -0.34 6.32 0.00 -1.15 -1.46 119.26 124.63 2yxj h ALA 171 Ca 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2yxj h ALA 171 Cb 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2yxj h ALA 171 CO -0.01 0.66 0.11 1.15 0.00 0.00 0.00 179.25 181.17 2yxj h THR 172 N 1.15 1.20 -0.38 0.00 2.02 -1.26 0.46 112.91 116.10 2yxj h THR 172 Ca 0.26 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2yxj h THR 172 Cb 0.22 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 2yxj h THR 172 CO -0.02 0.22 0.24 0.22 0.37 0.00 0.00 175.52 176.55 2yxj h TYR 173 N 0.39 0.48 0.19 3.16 5.03 -1.25 0.43 116.97 125.41 2yxj h TYR 173 Ca 0.11 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.43 2yxj h TYR 173 Cb 0.23 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 2yxj h TYR 173 CO 0.00 0.32 -0.21 -0.07 -1.32 0.00 0.00 178.16 176.89 2yxj h LEU 174 N 0.50 -0.56 -0.56 2.82 -0.00 -0.97 0.31 115.31 116.85 2yxj h LEU 174 Ca 0.14 0.06 0.01 0.00 -0.00 0.00 0.00 57.88 58.08 2yxj h LEU 174 Cb -0.03 0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 40.80 2yxj h LEU 174 CO -0.03 -0.31 0.36 0.78 -0.00 0.00 0.00 178.44 179.25 2yxj h ASN 175 N -0.44 0.62 0.12 -0.43 2.35 0.35 -0.02 115.58 118.14 2yxj h ASN 175 Ca 0.00 -0.01 -0.27 0.00 -0.55 0.00 0.00 56.30 55.47 2yxj h ASN 175 Cb 0.42 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 2yxj h ASN 175 CO -0.06 0.45 -1.36 0.44 -1.65 0.00 0.00 177.43 175.25 2yxj h ASP 176 N 0.74 0.40 0.00 5.81 3.32 -0.11 -3.40 116.42 123.18 2yxj h ASP 176 Ca 0.21 -0.86 -0.19 0.00 0.02 0.00 0.00 57.03 56.21 2yxj h ASP 176 Cb -0.07 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 2yxj h ASP 176 CO -0.05 1.60 -1.71 1.41 -1.72 0.00 0.00 179.24 178.76 2yxj n HIS 177 N -3.94 0.00 0.00 4.55 8.25 0.10 -4.72 115.22 119.46 2yxj n HIS 177 Ca -0.24 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.19 2yxj n HIS 177 Cb 0.90 -0.50 -0.11 0.00 1.12 0.00 0.00 29.99 31.40 2yxj n HIS 177 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2yxj n LEU 178 N -2.60 0.77 -0.15 2.41 4.77 -0.74 -4.48 117.00 116.97 2yxj n LEU 178 Ca -0.19 0.35 -0.03 0.00 -0.03 0.00 0.00 56.01 56.10 2yxj n LEU 178 Cb 0.79 0.13 0.05 0.00 -2.33 0.00 0.00 43.42 42.07 2yxj n LEU 178 CO 0.18 0.24 0.88 -0.08 -1.33 0.00 0.00 177.39 177.27 2yxj h GLU 179 N 0.00 0.17 -0.92 3.23 4.57 -1.22 -0.67 114.58 119.74 2yxj h GLU 179 Ca -0.23 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.03 2yxj h GLU 179 Cb 1.75 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 30.23 2yxj h GLU 179 CO 0.05 0.11 0.57 -1.35 -1.18 0.00 0.00 179.01 177.22 2yxj h PRO 180 N 0.17 0.96 -0.26 0.92 0.11 -1.87 -1.07 132.00 130.97 2yxj h PRO 180 Ca 0.23 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.22 2yxj h PRO 180 Cb 0.33 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 2yxj h PRO 180 CO -0.34 0.64 -0.10 2.35 -0.21 0.00 0.00 178.00 180.34 2yxj h TRP 181 N 0.99 0.59 -0.19 0.65 7.01 -1.65 -2.23 115.95 121.13 2yxj h TRP 181 Ca 0.43 -0.14 0.05 0.00 2.11 0.00 0.00 58.89 61.33 2yxj h TRP 181 Cb 0.29 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.16 2yxj h TRP 181 CO -0.02 0.76 -0.11 0.82 -2.79 0.00 0.00 178.44 177.10 2yxj h ILE 182 N 0.26 0.66 -0.56 2.65 2.04 -0.88 -1.43 117.51 120.26 2yxj h ILE 182 Ca 0.06 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 2yxj h ILE 182 Cb 0.59 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2yxj h ILE 182 CO 0.03 0.00 0.14 1.56 0.00 0.00 0.00 178.15 179.89 2yxj h GLN 183 N -0.10 0.86 0.00 2.37 1.08 -1.22 0.52 115.11 118.62 2yxj h GLN 183 Ca 0.11 -0.17 -0.08 0.00 -1.45 0.00 0.00 58.65 57.06 2yxj h GLN 183 Cb 0.26 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2yxj h GLN 183 CO -0.25 0.77 -0.38 1.49 -0.95 0.00 0.00 178.83 179.51 2yxj h GLU 184 N 0.83 0.00 -0.63 1.46 4.57 -1.02 -3.20 114.58 116.60 2yxj h GLU 184 Ca 0.18 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.14 2yxj h GLU 184 Cb 0.29 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 28.75 2yxj h GLU 184 CO -0.00 0.38 0.22 0.09 -1.18 0.00 0.00 179.01 178.51 2yxj n ASN 185 N -3.88 4.09 0.00 1.04 3.02 -0.57 -4.92 115.26 114.03 2yxj n ASN 185 Ca -0.01 -3.35 0.00 0.00 -0.03 0.00 0.00 54.58 51.18 2yxj n ASN 185 Cb 0.44 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 2yxj n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yxj n GLY 186 N -0.54 0.77 2.76 7.41 0.00 -1.12 -4.82 105.19 109.64 2yxj n GLY 186 Ca 0.39 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.52 2yxj n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yxj n GLY 187 N -2.02 -1.77 0.25 -0.02 0.00 0.13 -3.31 105.19 98.45 2yxj n GLY 187 Ca 0.00 -1.21 0.11 0.00 0.00 0.00 0.00 46.02 44.93 2yxj n GLY 187 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2yxj h TRP 188 N -0.73 0.00 -0.22 1.61 4.06 -1.93 -1.76 115.95 116.97 2yxj h TRP 188 Ca 0.02 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.95 2yxj h TRP 188 Cb 0.72 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.87 2yxj h TRP 188 CO 0.00 0.15 0.06 -0.44 -3.56 0.00 0.00 178.44 174.65 2yxj h ASP 189 N 0.00 0.27 0.14 -3.49 5.19 -1.99 -1.35 116.42 115.20 2yxj h ASP 189 Ca -0.00 -0.02 -0.19 0.00 -0.62 0.00 0.00 57.03 56.19 2yxj h ASP 189 Cb 0.40 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.84 2yxj h ASP 189 CO 0.02 0.28 -0.74 0.74 -3.12 0.00 0.00 179.24 176.42 2yxj h THR 190 N 0.31 1.35 -0.48 0.35 2.02 -1.31 -0.43 112.91 114.70 2yxj h THR 190 Ca 0.08 -2.09 0.06 0.00 0.77 0.00 0.00 66.41 65.22 2yxj h THR 190 Cb 0.12 2.07 -0.05 0.00 -1.74 0.00 0.00 68.15 68.54 2yxj h THR 190 CO -0.00 0.64 0.20 0.15 0.37 0.00 0.00 175.52 176.88 2yxj h PHE 191 N 0.35 0.36 -0.12 3.16 3.57 -1.24 -1.60 116.94 121.42 2yxj h PHE 191 Ca -0.04 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2yxj h PHE 191 Cb 1.33 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 2yxj h PHE 191 CO 0.06 0.15 0.04 0.28 -2.23 0.00 0.00 178.31 176.61 2yxj h VAL 192 N 0.40 1.17 -0.78 1.41 2.07 -1.11 0.12 116.25 119.54 2yxj h VAL 192 Ca 0.22 -0.50 0.15 0.00 0.82 0.00 0.00 66.70 67.39 2yxj h VAL 192 Cb 0.19 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 2yxj h VAL 192 CO -0.20 0.15 0.52 -0.08 0.02 0.00 0.00 177.57 177.98 2yxj h GLU 193 N 0.02 0.45 0.00 1.57 4.81 -0.89 0.35 114.58 120.89 2yxj h GLU 193 Ca 0.04 -0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 58.96 2yxj h GLU 193 Cb 0.20 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 2yxj h GLU 193 CO -0.00 0.30 -2.03 1.28 -0.73 0.00 0.00 179.01 177.83 2yxj n LEU 194 N -4.49 0.35 0.00 1.64 4.77 -0.62 -4.65 117.00 114.00 2yxj n LEU 194 Ca 0.15 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2yxj n LEU 194 Cb 0.52 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 2yxj n LEU 194 CO 0.32 0.37 0.23 -1.22 -1.33 0.00 0.00 177.39 175.76 2yxj n TYR 195 N -2.79 0.00 -2.69 -1.77 4.02 0.39 -5.07 117.16 109.25 2yxj n TYR 195 Ca -0.22 -0.10 -0.36 0.00 -0.01 0.00 0.00 57.90 57.21 2yxj n TYR 195 Cb 1.02 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 40.28 2yxj n TYR 195 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2yxj s GLY 196 N -0.21 2.66 0.00 2.72 0.00 0.12 -4.88 107.32 107.73 2yxj s GLY 196 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.28 2yxj s GLY 196 CO 0.00 0.95 0.00 0.70 0.00 0.00 0.00 173.10 174.75