#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3v h GLU 2 N 0.00 0.65 -4.07 1.97 5.08 -1.96 -3.38 114.58 112.86 3d3v h GLU 2 Ca 0.00 -0.81 -0.71 0.00 -1.00 0.00 0.00 59.36 56.84 3d3v h GLU 2 Cb 0.00 0.26 -0.33 0.00 0.50 0.00 0.00 28.75 29.17 3d3v h GLU 2 CO 0.00 1.37 -0.42 0.08 -1.00 0.00 0.00 179.01 179.04 3d3v s VAL 3 N -3.09 3.73 -0.41 3.13 1.01 -1.26 -2.08 120.40 121.44 3d3v s VAL 3 Ca -0.09 -2.38 -0.26 0.00 0.00 0.00 0.00 61.98 59.25 3d3v s VAL 3 Cb 0.06 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.99 3d3v s VAL 3 CO 0.93 -0.80 0.97 -0.70 0.00 0.00 0.00 175.10 175.50 3d3v s GLU 4 N 0.67 3.74 -0.05 2.72 2.12 -1.04 -4.29 118.70 122.57 3d3v s GLU 4 Ca 0.12 0.48 0.02 0.00 0.36 0.00 0.00 54.97 55.94 3d3v s GLU 4 Cb -0.22 -3.85 -0.03 0.00 0.26 0.00 0.00 34.13 30.29 3d3v s GLU 4 CO -0.03 -1.09 -0.08 -1.14 -0.54 0.00 0.00 175.26 172.38 3d3v s GLN 5 N 3.71 2.68 0.00 4.30 0.74 -1.26 -1.71 119.66 128.12 3d3v s GLN 5 Ca 0.40 -0.60 0.00 0.00 0.05 0.00 0.00 55.36 55.21 3d3v s GLN 5 Cb -0.11 -2.55 0.00 0.00 1.10 0.00 0.00 33.01 31.45 3d3v s GLN 5 CO 0.23 0.65 0.00 -1.71 -0.55 0.00 0.00 175.29 173.91 3d3v n ASN 6 N 2.10 0.00 -0.00 6.67 2.85 -1.16 -4.80 115.26 120.92 3d3v n ASN 6 Ca -0.17 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.29 3d3v n ASN 6 Cb 0.53 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.55 3d3v n ASN 6 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 3d3v h SER 7 N 0.00 -0.03 -5.00 1.20 4.64 -1.94 -3.30 113.55 109.11 3d3v h SER 7 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d3v h SER 7 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3d3v h SER 7 CO 0.00 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 3d3v n GLY 8 N 1.67 2.41 3.86 -0.77 0.00 -1.26 -4.21 105.19 106.89 3d3v n GLY 8 Ca -0.00 -1.97 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 3d3v n GLY 8 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3d3v s PRO 9 N -2.70 3.59 -0.30 1.61 0.02 -1.26 -4.96 135.00 131.00 3d3v s PRO 9 Ca 0.00 0.82 -0.02 0.00 0.02 0.00 0.00 61.00 61.82 3d3v s PRO 9 Cb 0.00 -2.08 0.05 0.00 0.02 0.00 0.00 34.50 32.49 3d3v s PRO 9 CO 0.00 -0.57 0.01 -1.17 -0.33 0.00 0.00 177.00 174.94 3d3v s LEU 10 N -4.99 3.94 -0.25 -5.54 2.96 0.64 -4.99 118.68 110.45 3d3v s LEU 10 Ca 0.56 -1.25 -0.12 0.00 -0.22 0.00 0.00 54.13 53.10 3d3v s LEU 10 Cb -0.11 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 3d3v s LEU 10 CO 0.49 -0.27 0.23 -0.55 -1.32 0.00 0.00 176.35 174.94 3d3v s SER 11 N 1.27 6.14 0.02 3.68 0.15 -1.26 -1.34 113.70 122.36 3d3v s SER 11 Ca -0.05 0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.75 3d3v s SER 11 Cb -0.20 -2.14 -0.01 0.00 -1.71 0.00 0.00 66.02 61.96 3d3v s SER 11 CO -0.01 -0.02 -0.03 0.68 1.20 0.00 0.00 173.24 175.05 3d3v s VAL 12 N 1.46 0.21 0.65 4.45 -7.23 -0.67 -5.00 120.40 114.28 3d3v s VAL 12 Ca 0.10 -0.59 -0.01 0.00 -1.81 0.00 0.00 61.98 59.67 3d3v s VAL 12 Cb -0.15 -0.28 0.08 0.00 0.56 0.00 0.00 36.38 36.60 3d3v s VAL 12 CO 0.08 -0.24 0.91 -2.16 -0.31 0.00 0.00 175.10 173.38 3d3v s PRO 13 N -0.87 2.09 -0.03 4.82 0.04 -1.26 -1.40 135.00 138.38 3d3v s PRO 13 Ca -0.08 -0.84 -0.30 0.00 0.04 0.00 0.00 61.00 59.82 3d3v s PRO 13 Cb -0.06 -2.36 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 3d3v s PRO 13 CO -0.00 -1.13 1.38 -1.83 0.04 0.00 0.00 177.00 175.45 3d3v s GLU 14 N -5.01 4.28 0.00 4.56 -1.05 -1.11 -2.24 118.70 118.13 3d3v s GLU 14 Ca 0.62 1.91 0.00 0.00 -0.15 0.00 0.00 54.97 57.35 3d3v s GLU 14 Cb -0.08 -3.63 0.00 0.00 -0.44 0.00 0.00 34.13 29.98 3d3v s GLU 14 CO 0.42 -0.60 0.00 0.41 0.95 0.00 0.00 175.26 176.45 3d3v n GLY 15 N 3.64 2.12 3.79 -3.83 0.00 -1.04 -4.85 105.19 105.02 3d3v n GLY 15 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3d3v n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3v s ALA 16 N -2.07 2.44 -0.13 4.61 0.00 -0.95 -3.82 121.76 121.83 3d3v s ALA 16 Ca 0.00 0.26 -0.13 0.00 0.00 0.00 0.00 51.96 52.09 3d3v s ALA 16 Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 3d3v s ALA 16 CO 0.00 -1.48 0.29 0.42 0.00 0.00 0.00 175.76 174.99 3d3v s ILE 17 N -2.83 5.29 -0.80 0.00 1.01 -1.26 -3.01 121.20 119.60 3d3v s ILE 17 Ca 0.61 0.55 0.02 0.00 0.00 0.00 0.00 60.65 61.83 3d3v s ILE 17 Cb -0.17 -3.62 0.22 0.00 0.01 0.00 0.00 42.46 38.91 3d3v s ILE 17 CO 0.52 0.44 0.74 0.00 0.00 0.00 0.00 174.94 176.65 3d3v n ALA 18 N 3.14 3.84 -2.03 9.38 0.00 -1.17 -4.94 120.51 128.75 3d3v n ALA 18 Ca -0.13 -4.63 -0.42 0.00 0.00 0.00 0.00 53.44 48.26 3d3v n ALA 18 Cb 0.52 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 3d3v n ALA 18 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3d3v s SER 19 N -1.16 6.68 0.18 0.00 1.04 -1.26 -3.77 113.70 115.42 3d3v s SER 19 Ca 0.30 2.43 0.07 0.00 0.48 0.00 0.00 55.95 59.23 3d3v s SER 19 Cb -0.01 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 3d3v s SER 19 CO -0.10 -0.79 0.02 -0.76 0.98 0.00 0.00 173.24 172.59 3d3v s LEU 20 N 1.87 3.37 0.01 2.42 1.43 0.16 -4.99 118.68 122.96 3d3v s LEU 20 Ca 0.69 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3d3v s LEU 20 Cb -0.39 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 3d3v s LEU 20 CO 0.31 0.07 -0.08 0.20 0.23 0.00 0.00 176.35 177.08 3d3v s ASN 21 N -3.06 0.89 -0.05 2.29 0.01 -1.26 -1.61 114.94 112.15 3d3v s ASN 21 Ca 0.28 -0.28 -0.08 0.00 -0.71 0.00 0.00 52.86 52.07 3d3v s ASN 21 Cb -0.09 -0.05 0.02 0.00 0.41 0.00 0.00 41.25 41.53 3d3v s ASN 21 CO 0.19 -0.01 0.21 0.00 -1.51 0.00 0.00 177.10 175.99 3d3v s THR 23 N -0.45 3.26 0.16 0.00 -1.32 -0.70 -0.59 115.64 116.00 3d3v s THR 23 Ca -0.06 -1.58 0.00 0.00 -1.21 0.00 0.00 61.69 58.84 3d3v s THR 23 Cb -0.04 -2.60 -0.04 0.00 -1.51 0.00 0.00 72.50 68.31 3d3v s THR 23 CO 0.01 -0.08 0.05 -0.72 -2.21 0.00 0.00 174.62 171.67 3d3v s TYR 24 N -1.64 1.07 -0.02 9.09 1.13 -1.04 -2.48 117.35 123.46 3d3v s TYR 24 Ca 0.25 -1.18 0.02 0.00 -1.41 0.00 0.00 57.07 54.74 3d3v s TYR 24 Cb -0.09 -0.60 -0.03 0.00 -1.10 0.00 0.00 41.96 40.14 3d3v s TYR 24 CO 0.15 -0.42 0.02 -1.13 -2.51 0.00 0.00 175.55 171.66 3d3v n SER 25 N -0.20 4.47 -4.65 -0.18 3.41 -0.88 -4.88 113.62 110.71 3d3v n SER 25 Ca -0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.14 3d3v n SER 25 Cb 0.64 0.70 -0.02 0.00 -0.26 0.00 0.00 64.21 65.27 3d3v n SER 25 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3d3v s ASP 26 N -2.99 6.75 0.51 4.04 2.15 -1.26 -4.89 116.67 120.97 3d3v s ASP 26 Ca -0.01 1.77 0.26 0.00 0.43 0.00 0.00 52.55 55.00 3d3v s ASP 26 Cb 0.01 -2.54 1.35 0.00 -0.30 0.00 0.00 42.92 41.44 3d3v s ASP 26 CO 0.09 -0.92 2.03 0.03 -0.17 0.00 0.00 175.17 176.23 3d3v h ARG 27 N 9.10 0.00 -0.51 4.34 3.08 -1.98 -3.09 114.38 125.33 3d3v h ARG 27 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3d3v h ARG 27 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3d3v h ARG 27 CO 0.98 0.14 0.00 0.41 -1.07 0.00 0.00 179.97 180.43 3d3v n GLY 28 N -0.60 3.22 3.75 0.04 0.00 -1.26 -4.96 105.19 105.38 3d3v n GLY 28 Ca -0.02 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 3d3v n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d3v s SER 29 N -1.06 5.35 0.00 1.61 0.01 -1.17 -4.78 113.70 113.67 3d3v s SER 29 Ca 0.52 2.65 0.00 0.00 1.31 0.00 0.00 55.95 60.43 3d3v s SER 29 Cb 0.39 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 64.00 3d3v s SER 29 CO 0.15 -1.51 0.00 0.00 0.41 0.00 0.00 173.24 172.29 3d3v n GLN 30 N -1.06 1.77 -4.30 12.44 6.02 0.21 -4.95 117.38 127.51 3d3v n GLN 30 Ca 0.11 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.86 3d3v n GLN 30 Cb 0.46 -0.71 -0.13 0.00 1.02 0.00 0.00 30.24 30.89 3d3v n GLN 30 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3d3v s SER 31 N -1.75 2.50 -0.02 1.08 0.01 -1.08 -4.77 113.70 109.66 3d3v s SER 31 Ca 0.00 -0.67 0.01 0.00 1.31 0.00 0.00 55.95 56.60 3d3v s SER 31 Cb 0.00 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 66.10 3d3v s SER 31 CO 0.00 0.06 -0.03 -0.36 0.41 0.00 0.00 173.24 173.32 3d3v s PHE 32 N -1.14 0.48 0.02 2.43 0.08 -1.00 -0.18 117.98 118.67 3d3v s PHE 32 Ca 0.06 -0.09 0.02 0.00 0.12 0.00 0.00 56.93 57.04 3d3v s PHE 32 Cb -0.10 -0.42 -0.01 0.00 -0.57 0.00 0.00 43.02 41.92 3d3v s PHE 32 CO 0.04 -0.09 -0.06 -0.06 -0.10 0.00 0.00 175.22 174.95 3d3v s PHE 33 N 0.50 0.54 -0.09 0.36 0.08 0.12 -0.85 117.98 118.65 3d3v s PHE 33 Ca -0.06 -0.31 0.04 0.00 0.12 0.00 0.00 56.93 56.72 3d3v s PHE 33 Cb -0.09 -0.33 -0.01 0.00 -0.57 0.00 0.00 43.02 42.02 3d3v s PHE 33 CO -0.01 -0.05 -0.21 -1.58 -0.10 0.00 0.00 175.22 173.27 3d3v s TRP 34 N -0.82 2.59 0.29 0.36 0.52 0.61 -0.53 118.94 121.96 3d3v s TRP 34 Ca -0.05 -0.77 0.10 0.00 0.02 0.00 0.00 56.10 55.40 3d3v s TRP 34 Cb -0.06 -1.70 -0.05 0.00 -1.15 0.00 0.00 33.47 30.51 3d3v s TRP 34 CO 0.00 -0.25 -0.07 0.71 0.02 0.00 0.00 176.95 177.36 3d3v s TYR 35 N 0.09 2.51 -0.12 -1.98 1.51 0.74 -1.70 117.35 118.40 3d3v s TYR 35 Ca -0.10 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 3d3v s TYR 35 Cb -0.16 -1.21 0.02 0.00 -0.11 0.00 0.00 41.96 40.51 3d3v s TYR 35 CO 0.06 0.62 -0.11 0.50 -1.11 0.00 0.00 175.55 175.50 3d3v s ARG 36 N -3.63 1.89 -0.31 -0.62 3.52 0.20 -2.30 118.95 117.71 3d3v s ARG 36 Ca 0.32 -0.41 0.03 0.00 -0.13 0.00 0.00 55.73 55.53 3d3v s ARG 36 Cb -0.04 -1.79 0.09 0.00 -1.56 0.00 0.00 34.95 31.65 3d3v s ARG 36 CO 0.18 -0.21 0.02 -1.14 -0.81 0.00 0.00 175.30 173.35 3d3v s GLN 37 N 1.45 1.47 0.39 5.12 0.74 0.52 -1.68 119.66 127.67 3d3v s GLN 37 Ca 0.02 -1.54 -0.24 0.00 0.05 0.00 0.00 55.36 53.65 3d3v s GLN 37 Cb -0.13 -2.86 -0.09 0.00 1.10 0.00 0.00 33.01 31.02 3d3v s GLN 37 CO -0.07 -0.85 1.05 0.71 -0.55 0.00 0.00 175.29 175.58 3d3v s TYR 38 N 1.12 3.30 0.15 1.67 2.02 -1.26 -2.18 117.35 122.17 3d3v s TYR 38 Ca 0.06 1.65 -0.33 0.00 -0.37 0.00 0.00 57.07 58.07 3d3v s TYR 38 Cb -0.19 -3.13 -0.13 0.00 -0.40 0.00 0.00 41.96 38.11 3d3v s TYR 38 CO -0.10 -0.60 1.67 0.45 -1.57 0.00 0.00 175.55 175.39 3d3v n SER 39 N 0.03 3.46 0.00 2.29 2.88 -1.26 -1.69 113.62 119.33 3d3v n SER 39 Ca 0.04 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 3d3v n SER 39 Cb 0.49 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 3d3v n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d3v n GLY 40 N 3.72 2.36 0.00 0.46 0.00 -1.26 -5.02 105.19 105.45 3d3v n GLY 40 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3d3v n GLY 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3d3v n LYS 41 N -2.00 3.78 -4.30 1.61 2.85 -0.68 -5.14 118.16 114.28 3d3v n LYS 41 Ca 0.00 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.95 3d3v n LYS 41 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 3d3v n LYS 41 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3d3v s SER 42 N 0.53 4.83 0.29 -5.58 1.04 -1.26 -4.76 113.70 108.78 3d3v s SER 42 Ca 0.00 -0.15 -0.30 0.00 0.48 0.00 0.00 55.95 55.98 3d3v s SER 42 Cb 0.00 -1.14 -0.11 0.00 0.10 0.00 0.00 66.02 64.87 3d3v s SER 42 CO 0.00 0.24 1.47 -2.16 0.98 0.00 0.00 173.24 173.77 3d3v s PRO 43 N -1.80 4.22 -0.08 4.02 0.04 -1.26 -4.65 135.00 135.49 3d3v s PRO 43 Ca 0.21 2.40 0.03 0.00 0.04 0.00 0.00 61.00 63.68 3d3v s PRO 43 Cb -0.11 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.37 3d3v s PRO 43 CO 0.12 -0.47 -0.17 -2.00 0.04 0.00 0.00 177.00 174.52 3d3v s GLU 44 N -0.80 2.25 -0.09 4.56 2.12 -0.68 -4.88 118.70 121.18 3d3v s GLU 44 Ca 0.58 -0.60 -0.30 0.00 0.36 0.00 0.00 54.97 55.01 3d3v s GLU 44 Cb -0.44 -1.77 -0.02 0.00 0.26 0.00 0.00 34.13 32.16 3d3v s GLU 44 CO 0.48 0.09 1.11 -1.17 -0.54 0.00 0.00 175.26 175.23 3d3v s LEU 45 N 0.54 4.26 -0.09 2.70 2.96 -1.26 0.62 118.68 128.41 3d3v s LEU 45 Ca -0.16 1.68 0.08 0.00 -0.22 0.00 0.00 54.13 55.50 3d3v s LEU 45 Cb -0.17 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.86 3d3v s LEU 45 CO 0.06 -0.53 0.02 2.30 -1.32 0.00 0.00 176.35 176.88 3d3v n ILE 46 N 4.63 0.61 -3.64 6.68 -5.35 -0.69 -4.91 119.36 116.69 3d3v n ILE 46 Ca 0.10 -0.37 -0.15 0.00 -0.27 0.00 0.00 62.75 62.06 3d3v n ILE 46 Cb 0.47 -0.77 -0.14 0.00 -1.74 0.00 0.00 39.64 37.47 3d3v n ILE 46 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 3d3v s MET 47 N -2.22 0.13 -0.15 6.28 -1.94 -1.04 -5.01 119.30 115.35 3d3v s MET 47 Ca -0.05 0.64 -0.05 0.00 -1.71 0.00 0.00 55.69 54.52 3d3v s MET 47 Cb 0.03 -0.24 -0.04 0.00 2.01 0.00 0.00 34.83 36.59 3d3v s MET 47 CO 0.36 -0.34 0.03 -1.12 -0.01 0.00 0.00 175.02 173.93 3d3v s SER 48 N 2.38 5.36 -0.02 3.03 0.01 -1.26 -0.29 113.70 122.91 3d3v s SER 48 Ca 0.03 0.07 0.03 0.00 1.31 0.00 0.00 55.95 57.38 3d3v s SER 48 Cb -0.13 -1.80 -0.00 0.00 0.21 0.00 0.00 66.02 64.31 3d3v s SER 48 CO -0.08 0.24 -0.09 -0.51 0.41 0.00 0.00 173.24 173.20 3d3v s ILE 49 N -0.05 0.76 -0.05 1.44 2.07 -0.03 -5.02 121.20 120.33 3d3v s ILE 49 Ca 0.05 -0.37 0.01 0.00 -1.41 0.00 0.00 60.65 58.93 3d3v s ILE 49 Cb -0.12 -0.67 -0.02 0.00 0.13 0.00 0.00 42.46 41.78 3d3v s ILE 49 CO 0.02 0.23 0.05 -1.22 -1.91 0.00 0.00 174.94 172.11 3d3v n TYR 50 N 3.13 0.00 -3.75 3.50 4.01 -1.26 -2.37 117.16 120.42 3d3v n TYR 50 Ca -0.16 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.48 3d3v n TYR 50 Cb 0.55 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.53 3d3v n TYR 50 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3d3v s SER 51 N -1.29 -0.17 0.33 7.72 1.04 -1.26 -4.82 113.70 115.26 3d3v s SER 51 Ca 0.00 -0.51 -0.28 0.00 0.48 0.00 0.00 55.95 55.65 3d3v s SER 51 Cb 0.01 0.50 -0.13 0.00 0.10 0.00 0.00 66.02 66.50 3d3v s SER 51 CO 0.06 -0.93 1.19 0.59 0.98 0.00 0.00 173.24 175.13 3d3v n ASN 52 N -0.26 2.24 0.00 7.02 4.13 -1.26 -4.74 115.26 122.39 3d3v n ASN 52 Ca -0.12 1.19 0.00 0.00 1.68 0.00 0.00 54.58 57.33 3d3v n ASN 52 Cb 0.63 -1.42 0.00 0.00 -1.54 0.00 0.00 39.78 37.45 3d3v n ASN 52 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d3v n GLY 53 N 0.93 0.47 3.76 7.41 0.00 -0.71 -4.93 105.19 112.12 3d3v n GLY 53 Ca 0.06 -2.27 -0.35 0.00 0.00 0.00 0.00 46.02 43.47 3d3v n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d3v s ASP 54 N -4.00 5.61 -0.15 1.61 -0.00 -1.26 -1.12 116.67 117.36 3d3v s ASP 54 Ca 0.00 0.21 0.02 0.00 -0.00 0.00 0.00 52.55 52.77 3d3v s ASP 54 Cb 0.00 -1.64 0.02 0.00 -0.00 0.00 0.00 42.92 41.29 3d3v s ASP 54 CO 0.00 0.35 -0.19 -0.75 -0.00 0.00 0.00 175.17 174.57 3d3v s LYS 55 N -1.23 2.79 -0.02 8.23 2.20 0.22 -4.98 119.74 126.95 3d3v s LYS 55 Ca 0.17 -0.76 -0.01 0.00 -0.36 0.00 0.00 55.97 55.01 3d3v s LYS 55 Cb -0.12 -2.36 -0.04 0.00 -1.51 0.00 0.00 37.83 33.80 3d3v s LYS 55 CO 0.07 -0.13 0.09 -2.00 -0.36 0.00 0.00 175.35 173.02 3d3v s GLU 56 N 1.11 3.13 -0.50 4.03 2.12 -1.26 -1.85 118.70 125.48 3d3v s GLU 56 Ca -0.01 -0.43 0.06 0.00 0.36 0.00 0.00 54.97 54.95 3d3v s GLU 56 Cb -0.14 -2.90 0.21 0.00 0.26 0.00 0.00 34.13 31.56 3d3v s GLU 56 CO -0.07 0.66 0.81 -3.47 -0.54 0.00 0.00 175.26 172.65 3d3v n ASP 57 N 1.30 -3.17 0.00 -1.70 -0.08 -1.13 -5.04 116.55 106.73 3d3v n ASP 57 Ca -0.14 -3.04 0.00 0.00 -1.51 0.00 0.00 54.79 50.10 3d3v n ASP 57 Cb 0.53 1.76 0.00 0.00 2.34 0.00 0.00 41.12 45.75 3d3v n ASP 57 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3d3v n GLY 58 N 2.37 1.96 0.06 0.27 0.00 -1.26 -3.29 105.19 105.30 3d3v n GLY 58 Ca 0.14 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.18 3d3v n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d3v n ARG 61 N 3.59 0.50 -3.03 1.61 1.74 -1.26 -4.87 116.66 114.95 3d3v n ARG 61 Ca 0.00 -0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 3d3v n ARG 61 Cb 0.00 -1.66 -0.04 0.00 -1.02 0.00 0.00 32.46 29.74 3d3v n ARG 61 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3d3v s PHE 62 N -3.34 3.44 -0.19 -1.55 0.08 -1.21 -0.09 117.98 115.12 3d3v s PHE 62 Ca -0.01 1.04 -0.05 0.00 0.12 0.00 0.00 56.93 58.03 3d3v s PHE 62 Cb 0.12 -2.42 0.09 0.00 -0.57 0.00 0.00 43.02 40.24 3d3v s PHE 62 CO 0.82 0.01 0.35 0.99 -0.10 0.00 0.00 175.22 177.29 3d3v s THR 63 N -2.19 -0.55 0.09 0.64 2.01 -0.62 -2.84 115.64 112.18 3d3v s THR 63 Ca 0.51 0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.59 3d3v s THR 63 Cb -0.10 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 3d3v s THR 63 CO 0.26 0.02 0.31 0.00 -0.69 0.00 0.00 174.62 174.53 3d3v s ALA 64 N 2.52 3.85 0.14 7.40 0.00 -0.77 -0.65 121.76 134.25 3d3v s ALA 64 Ca 0.03 -0.61 0.09 0.00 0.00 0.00 0.00 51.96 51.47 3d3v s ALA 64 Cb -0.13 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 3d3v s ALA 64 CO -0.12 0.69 -0.22 -0.65 0.00 0.00 0.00 175.76 175.46 3d3v s GLN 65 N -2.35 1.28 -0.04 0.00 -0.21 -0.96 -0.61 119.66 116.76 3d3v s GLN 65 Ca 0.36 -1.31 0.01 0.00 0.02 0.00 0.00 55.36 54.43 3d3v s GLN 65 Cb -0.13 -1.56 0.02 0.00 1.00 0.00 0.00 33.01 32.35 3d3v s GLN 65 CO 0.23 0.35 -0.02 -1.17 -2.12 0.00 0.00 175.29 172.56 3d3v s LEU 66 N -2.22 1.20 -0.29 2.90 2.96 -0.28 -1.37 118.68 121.60 3d3v s LEU 66 Ca 0.12 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 3d3v s LEU 66 Cb -0.09 -0.36 0.09 0.00 0.50 0.00 0.00 46.19 46.33 3d3v s LEU 66 CO 0.06 -0.08 0.04 0.21 -1.32 0.00 0.00 176.35 175.25 3d3v s ASN 67 N 1.04 4.11 0.42 3.68 3.84 -0.63 -1.74 114.94 125.66 3d3v s ASN 67 Ca -0.09 -1.59 0.23 0.00 0.21 0.00 0.00 52.86 51.62 3d3v s ASN 67 Cb -0.14 -1.15 0.48 0.00 -0.55 0.00 0.00 41.25 39.89 3d3v s ASN 67 CO -0.01 -0.34 1.65 0.11 -2.79 0.00 0.00 177.10 175.71 3d3v h LYS 68 N 7.93 0.00 -0.07 0.43 1.57 -1.96 -0.38 116.57 124.09 3d3v h LYS 68 Ca -0.13 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.53 3d3v h LYS 68 Cb 1.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3d3v h LYS 68 CO 0.46 0.15 -0.52 0.00 -0.57 0.00 0.00 179.45 178.96 3d3v h ALA 69 N 1.85 0.99 -0.03 3.86 0.00 -1.96 -3.19 119.26 120.78 3d3v h ALA 69 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3d3v h ALA 69 Cb 1.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3d3v h ALA 69 CO 0.02 0.67 0.00 0.45 0.00 0.00 0.00 179.25 180.39 3d3v n SER 70 N -3.93 1.51 -3.06 0.00 2.88 -1.23 -5.04 113.62 104.74 3d3v n SER 70 Ca -0.02 -1.32 -0.05 0.00 -1.33 0.00 0.00 58.87 56.15 3d3v n SER 70 Cb 0.55 -0.02 0.03 0.00 -0.75 0.00 0.00 64.21 64.03 3d3v n SER 70 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d3v n GLN 71 N 0.14 -1.60 -3.70 -1.46 6.02 -0.29 -4.91 117.38 111.58 3d3v n GLN 71 Ca 0.02 1.22 -0.13 0.00 -0.01 0.00 0.00 57.00 58.10 3d3v n GLN 71 Cb 0.14 -5.60 -0.13 0.00 1.02 0.00 0.00 30.24 25.66 3d3v n GLN 71 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3d3v s TYR 72 N -3.14 -0.37 -0.11 1.08 6.14 -0.41 -2.51 117.35 118.04 3d3v s TYR 72 Ca 0.17 0.87 0.02 0.00 0.64 0.00 0.00 57.07 58.76 3d3v s TYR 72 Cb -0.02 -0.01 -0.01 0.00 0.42 0.00 0.00 41.96 42.34 3d3v s TYR 72 CO 0.71 -0.29 -0.17 0.08 0.64 0.00 0.00 175.55 176.53 3d3v s VAL 73 N 1.84 2.75 0.36 3.14 1.01 0.24 -1.60 120.40 128.14 3d3v s VAL 73 Ca -0.04 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.25 3d3v s VAL 73 Cb -0.11 -2.12 -0.06 0.00 0.00 0.00 0.00 36.38 34.09 3d3v s VAL 73 CO -0.08 0.54 -0.03 -0.94 0.00 0.00 0.00 175.10 174.59 3d3v s SER 74 N 0.18 3.92 -0.19 3.32 1.04 -0.47 -0.92 113.70 120.58 3d3v s SER 74 Ca -0.10 -1.18 -0.06 0.00 0.48 0.00 0.00 55.95 55.10 3d3v s SER 74 Cb -0.16 -0.41 0.09 0.00 0.10 0.00 0.00 66.02 65.64 3d3v s SER 74 CO 0.06 -0.29 0.37 -0.22 0.98 0.00 0.00 173.24 174.14 3d3v s LEU 75 N -3.68 -0.55 -0.14 2.42 2.96 -0.64 -2.28 118.68 116.77 3d3v s LEU 75 Ca 0.34 0.73 -0.03 0.00 -0.22 0.00 0.00 54.13 54.96 3d3v s LEU 75 Cb 0.04 1.14 -0.03 0.00 0.50 0.00 0.00 46.19 47.84 3d3v s LEU 75 CO 0.18 -0.25 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.14 3d3v s LEU 76 N 2.55 3.15 -0.55 -0.68 1.02 0.17 0.38 118.68 124.72 3d3v s LEU 76 Ca 0.02 -0.15 -0.13 0.00 0.02 0.00 0.00 54.13 53.89 3d3v s LEU 76 Cb -0.13 -1.75 0.14 0.00 0.02 0.00 0.00 46.19 44.48 3d3v s LEU 76 CO -0.12 0.18 0.47 -0.63 0.02 0.00 0.00 176.35 176.27 3d3v s ILE 77 N 0.26 4.81 0.18 -0.59 1.01 -1.25 -1.59 121.20 124.04 3d3v s ILE 77 Ca -0.04 -1.79 -0.30 0.00 0.00 0.00 0.00 60.65 58.52 3d3v s ILE 77 Cb -0.14 -4.10 -0.08 0.00 0.01 0.00 0.00 42.46 38.14 3d3v s ILE 77 CO 0.03 -0.85 1.23 -0.60 0.00 0.00 0.00 174.94 174.75 3d3v s ARG 78 N 1.27 4.46 -0.36 2.79 3.52 0.87 -3.02 118.95 128.49 3d3v s ARG 78 Ca 0.06 1.91 -0.10 0.00 -0.13 0.00 0.00 55.73 57.48 3d3v s ARG 78 Cb -0.26 -3.24 0.01 0.00 -1.56 0.00 0.00 34.95 29.91 3d3v s ARG 78 CO -0.00 -0.14 0.36 -3.47 -0.81 0.00 0.00 175.30 171.24 3d3v n ASP 79 N 2.67 -7.50 -4.75 -2.12 2.03 -1.24 -4.75 116.55 100.89 3d3v n ASP 79 Ca 0.05 0.78 -0.40 0.00 0.52 0.00 0.00 54.79 55.74 3d3v n ASP 79 Cb 0.44 -5.03 -0.05 0.00 -0.72 0.00 0.00 41.12 35.76 3d3v n ASP 79 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3d3v s SER 80 N -2.14 7.50 0.35 1.67 0.01 -1.16 -4.73 113.70 115.19 3d3v s SER 80 Ca 0.15 2.03 0.02 0.00 1.31 0.00 0.00 55.95 59.46 3d3v s SER 80 Cb -0.04 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 3d3v s SER 80 CO 0.71 0.02 0.53 -1.10 0.41 0.00 0.00 173.24 173.82 3d3v s GLN 81 N -1.05 3.30 0.52 12.44 1.11 -1.26 -2.48 119.66 132.23 3d3v s GLN 81 Ca 0.43 -0.56 0.31 0.00 0.01 0.00 0.00 55.36 55.55 3d3v s GLN 81 Cb -0.28 -2.70 1.18 0.00 -1.01 0.00 0.00 33.01 30.21 3d3v s GLN 81 CO 0.34 0.07 1.92 -1.35 0.01 0.00 0.00 175.29 176.29 3d3v h PRO 82 N 0.75 0.00 -1.00 2.91 0.11 -1.92 -3.10 132.00 129.75 3d3v h PRO 82 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3d3v h PRO 82 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3d3v h PRO 82 CO 0.59 0.05 0.00 -1.13 -0.21 0.00 0.00 178.00 177.29 3d3v n SER 83 N -3.15 1.53 -0.31 -2.05 3.41 -1.26 -2.54 113.62 109.24 3d3v n SER 83 Ca 0.01 -1.53 0.04 0.00 -0.26 0.00 0.00 58.87 57.13 3d3v n SER 83 Cb 0.35 -0.38 0.03 0.00 -0.26 0.00 0.00 64.21 63.95 3d3v n SER 83 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3d3v n ASP 84 N 0.37 1.59 -4.57 4.04 8.00 -1.17 -4.96 116.55 119.83 3d3v n ASP 84 Ca 0.00 -1.29 -0.40 0.00 0.71 0.00 0.00 54.79 53.80 3d3v n ASP 84 Cb 0.29 0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.45 3d3v n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3d3v s SER 85 N -0.82 5.34 0.17 -2.24 0.01 -1.05 -4.83 113.70 110.28 3d3v s SER 85 Ca 0.09 1.04 -0.08 0.00 1.31 0.00 0.00 55.95 58.32 3d3v s SER 85 Cb 0.07 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.81 3d3v s SER 85 CO 0.13 -2.19 0.39 0.00 0.41 0.00 0.00 173.24 171.98 3d3v n ALA 86 N 12.39 -0.91 -2.62 1.44 0.00 -0.80 -4.77 120.51 125.24 3d3v n ALA 86 Ca 0.26 -0.59 -0.33 0.00 0.00 0.00 0.00 53.44 52.78 3d3v n ALA 86 Cb 0.50 0.45 -0.12 0.00 0.00 0.00 0.00 19.45 20.28 3d3v n ALA 86 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3d3v s THR 87 N -2.54 3.42 -0.30 0.00 -1.32 -0.93 0.37 115.64 114.34 3d3v s THR 87 Ca 0.08 -0.58 -0.04 0.00 -1.21 0.00 0.00 61.69 59.94 3d3v s THR 87 Cb -0.02 -2.39 0.03 0.00 -1.51 0.00 0.00 72.50 68.61 3d3v s THR 87 CO 0.05 0.58 0.04 -0.31 -2.21 0.00 0.00 174.62 172.77 3d3v s TYR 88 N -0.59 3.19 -0.22 9.09 1.51 -0.49 -0.36 117.35 129.49 3d3v s TYR 88 Ca 0.09 -1.45 -0.13 0.00 -1.01 0.00 0.00 57.07 54.57 3d3v s TYR 88 Cb -0.12 -2.19 -0.05 0.00 -0.11 0.00 0.00 41.96 39.50 3d3v s TYR 88 CO 0.02 -0.71 0.26 -0.51 -1.11 0.00 0.00 175.55 173.50 3d3v s LEU 89 N 1.37 4.14 -0.04 -1.29 2.01 -0.98 -3.05 118.68 120.84 3d3v s LEU 89 Ca -0.01 0.29 -0.19 0.00 0.01 0.00 0.00 54.13 54.23 3d3v s LEU 89 Cb -0.18 -2.29 -0.05 0.00 0.01 0.00 0.00 46.19 43.68 3d3v s LEU 89 CO 0.00 0.01 0.54 0.00 1.01 0.00 0.00 176.35 177.91 3d3v s ALA 91 N 0.02 0.46 -0.08 0.00 0.00 0.32 0.65 121.76 123.12 3d3v s ALA 91 Ca 0.29 -0.78 -0.07 0.00 0.00 0.00 0.00 51.96 51.39 3d3v s ALA 91 Cb -0.17 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.07 3d3v s ALA 91 CO 0.15 -0.10 0.21 0.08 0.00 0.00 0.00 175.76 176.10 3d3v s VAL 92 N -1.74 -0.00 0.11 0.00 1.01 -0.87 0.16 120.40 119.07 3d3v s VAL 92 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 3d3v s VAL 92 Cb -0.08 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 3d3v s VAL 92 CO -0.01 0.00 0.01 0.28 0.00 0.00 0.00 175.10 175.39 3d3v s THR 93 N 0.14 0.25 -0.14 3.92 -1.32 0.75 -1.42 115.64 117.83 3d3v s THR 93 Ca -0.00 -1.89 0.15 0.00 -1.21 0.00 0.00 61.69 58.73 3d3v s THR 93 Cb -0.02 -1.87 -0.21 0.00 -1.51 0.00 0.00 72.50 68.89 3d3v s THR 93 CO 0.00 -0.65 0.11 0.35 -2.21 0.00 0.00 174.62 172.21 3d3v n THR 98 N -0.05 0.93 -3.66 5.08 -2.24 -1.26 -0.61 114.28 112.46 3d3v n THR 98 Ca -0.09 -0.63 0.01 0.00 -2.27 0.00 0.00 64.05 61.07 3d3v n THR 98 Cb 0.63 -0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 68.39 3d3v n THR 98 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3d3v s ASP 99 N -4.81 -0.08 0.65 3.42 -4.77 -1.26 -4.30 116.67 105.52 3d3v s ASP 99 Ca -0.08 -0.20 0.21 0.00 -3.30 0.00 0.00 52.55 49.19 3d3v s ASP 99 Cb 0.06 0.23 1.09 0.00 -1.09 0.00 0.00 42.92 43.21 3d3v s ASP 99 CO 0.67 -0.42 1.61 0.28 0.70 0.00 0.00 175.17 178.01 3d3v h SER 100 N 2.00 0.00 0.00 2.11 0.02 -2.02 -1.85 113.55 113.82 3d3v h SER 100 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3d3v h SER 100 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3d3v h SER 100 CO 0.28 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.76 3d3v n TRP 101 N -2.91 0.00 -3.38 3.45 7.02 -1.26 -5.02 117.44 115.34 3d3v n TRP 101 Ca 0.02 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.12 3d3v n TRP 101 Cb 0.68 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.51 3d3v n TRP 101 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3d3v s GLY 102 N -0.06 2.35 0.11 6.99 0.00 -0.70 -5.01 107.32 111.00 3d3v s GLY 102 Ca 0.00 -0.26 -0.32 0.00 0.00 0.00 0.00 44.72 44.14 3d3v s GLY 102 CO 0.00 0.66 0.74 0.28 0.00 0.00 0.00 173.10 174.79 3d3v n LYS 103 N 3.58 0.00 -2.64 2.90 5.02 -1.26 -4.53 118.16 121.23 3d3v n LYS 103 Ca -0.09 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.78 3d3v n LYS 103 Cb 0.52 -1.19 -0.02 0.00 -0.02 0.00 0.00 35.03 34.32 3d3v n LYS 103 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3d3v s LEU 104 N 1.62 4.07 -0.59 -0.35 2.96 -1.26 -4.64 118.68 120.48 3d3v s LEU 104 Ca 0.74 1.33 -0.23 0.00 -0.22 0.00 0.00 54.13 55.75 3d3v s LEU 104 Cb -1.05 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 42.15 3d3v s LEU 104 CO 0.55 -0.72 0.94 -1.10 -1.32 0.00 0.00 176.35 174.69 3d3v s GLN 105 N 3.32 3.24 0.23 1.98 -1.52 -0.51 -4.90 119.66 121.50 3d3v s GLN 105 Ca 0.45 -0.50 -0.19 0.00 -1.95 0.00 0.00 55.36 53.17 3d3v s GLN 105 Cb -0.15 -4.12 -0.08 0.00 -0.22 0.00 0.00 33.01 28.44 3d3v s GLN 105 CO 0.09 -1.60 0.72 -0.06 -0.25 0.00 0.00 175.29 174.18 3d3v s PHE 106 N 3.96 3.63 0.67 0.91 0.40 -1.26 -2.06 117.98 124.23 3d3v s PHE 106 Ca 0.27 1.37 -0.10 0.00 -0.60 0.00 0.00 56.93 57.86 3d3v s PHE 106 Cb -0.14 -2.60 0.15 0.00 0.51 0.00 0.00 43.02 40.93 3d3v s PHE 106 CO 0.15 0.33 0.91 0.41 0.70 0.00 0.00 175.22 177.72 3d3v n GLY 107 N 0.66 -1.14 0.13 4.36 0.00 0.21 -4.71 105.19 104.70 3d3v n GLY 107 Ca -0.02 -1.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.09 3d3v n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3v h ALA 108 N -1.69 0.09 0.00 4.61 0.00 -1.88 -3.44 119.26 116.95 3d3v h ALA 108 Ca -0.30 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.78 3d3v h ALA 108 Cb 0.84 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3d3v h ALA 108 CO 0.22 0.87 0.00 0.41 0.00 0.00 0.00 179.25 180.75 3d3v n GLY 109 N 1.44 3.52 3.47 0.00 0.00 -1.26 -4.99 105.19 107.37 3d3v n GLY 109 Ca -0.10 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 3d3v n GLY 109 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3d3v s THR 110 N -0.64 3.87 -0.04 2.61 -1.32 -1.17 -4.73 115.64 114.22 3d3v s THR 110 Ca 0.00 -0.36 -0.26 0.00 -1.21 0.00 0.00 61.69 59.87 3d3v s THR 110 Cb 0.00 -2.71 -0.03 0.00 -1.51 0.00 0.00 72.50 68.24 3d3v s THR 110 CO 0.00 0.47 0.80 -1.58 -2.21 0.00 0.00 174.62 172.11 3d3v s GLN 111 N 0.59 4.48 -0.18 7.08 0.74 -1.26 -1.39 119.66 129.71 3d3v s GLN 111 Ca -0.02 1.08 -0.03 0.00 0.05 0.00 0.00 55.36 56.44 3d3v s GLN 111 Cb -0.14 -3.45 -0.01 0.00 1.10 0.00 0.00 33.01 30.50 3d3v s GLN 111 CO 0.02 0.02 -0.07 0.08 -0.55 0.00 0.00 175.29 174.80 3d3v s VAL 112 N 0.88 3.36 -0.30 1.34 1.01 0.16 -0.26 120.40 126.59 3d3v s VAL 112 Ca 0.43 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 3d3v s VAL 112 Cb -0.19 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.72 3d3v s VAL 112 CO 0.22 0.46 0.06 -0.69 0.00 0.00 0.00 175.10 175.15 3d3v s VAL 113 N 0.97 3.69 -0.39 2.92 1.01 -0.45 -1.91 120.40 126.25 3d3v s VAL 113 Ca -0.00 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 60.85 3d3v s VAL 113 Cb -0.15 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.29 3d3v s VAL 113 CO 0.00 0.02 0.76 -0.69 0.00 0.00 0.00 175.10 175.19 3d3v s VAL 114 N 1.43 4.73 0.30 2.92 1.01 -1.26 -1.67 120.40 127.87 3d3v s VAL 114 Ca 0.01 0.67 -0.27 0.00 0.00 0.00 0.00 61.98 62.39 3d3v s VAL 114 Cb -0.18 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 31.88 3d3v s VAL 114 CO 0.01 -0.51 0.95 0.42 0.00 0.00 0.00 175.10 175.97 3d3v s THR 115 N 3.09 4.13 0.52 3.92 -4.23 -0.50 -4.81 115.64 117.77 3d3v s THR 115 Ca 0.30 1.87 -0.03 0.00 -1.18 0.00 0.00 61.69 62.64 3d3v s THR 115 Cb -0.13 -4.08 -0.00 0.00 1.34 0.00 0.00 72.50 69.63 3d3v s THR 115 CO 0.18 0.24 0.79 -2.16 -0.54 0.00 0.00 174.62 173.13 3d3v s PRO 116 N -1.82 3.06 -0.68 3.99 0.04 -1.26 -2.73 135.00 135.59 3d3v s PRO 116 Ca 0.48 -0.18 -0.26 0.00 0.04 0.00 0.00 61.00 61.08 3d3v s PRO 116 Cb -0.21 -2.40 0.04 0.00 0.04 0.00 0.00 34.50 31.97 3d3v s PRO 116 CO 0.27 -0.46 1.16 -0.51 0.04 0.00 0.00 177.00 177.49 3d3v s ASP 117 N -4.24 6.22 -0.49 6.66 1.01 -1.26 -4.83 116.67 119.74 3d3v s ASP 117 Ca 0.51 -0.50 -0.23 0.00 0.71 0.00 0.00 52.55 53.04 3d3v s ASP 117 Cb -0.10 -2.51 0.03 0.00 1.01 0.00 0.00 42.92 41.35 3d3v s ASP 117 CO 0.42 -1.63 0.81 0.27 0.21 0.00 0.00 175.17 175.25 3d3v s ILE 118 N 5.04 4.60 0.20 0.77 -5.25 -1.26 -4.83 121.20 120.46 3d3v s ILE 118 Ca 0.32 0.26 0.01 0.00 -0.99 0.00 0.00 60.65 60.25 3d3v s ILE 118 Cb -0.11 -4.39 -0.09 0.00 2.95 0.00 0.00 42.46 40.83 3d3v s ILE 118 CO 0.16 -0.85 1.48 -0.61 -1.79 0.00 0.00 174.94 173.32 3d3v h GLN 119 N 9.08 0.34 -1.41 0.37 5.75 -1.94 -3.40 115.11 123.90 3d3v h GLN 119 Ca -0.25 -0.26 -0.19 0.00 -0.15 0.00 0.00 58.65 57.79 3d3v h GLN 119 Cb 1.08 0.05 -0.24 0.00 1.07 0.00 0.00 27.48 29.44 3d3v h GLN 119 CO 1.00 0.90 -0.55 1.21 -2.65 0.00 0.00 178.83 178.74 3d3v s ASN 120 N -6.94 -0.38 0.37 -0.69 2.47 -1.26 -5.16 114.94 103.35 3d3v s ASN 120 Ca -0.05 -1.07 -0.25 0.00 0.42 0.00 0.00 52.86 51.91 3d3v s ASN 120 Cb 0.11 1.37 -0.09 0.00 -1.45 0.00 0.00 41.25 41.19 3d3v s ASN 120 CO 0.82 -0.22 1.05 -2.16 -3.72 0.00 0.00 177.10 172.88 3d3v s PRO 121 N 1.72 4.30 -0.33 0.43 0.04 -1.26 -5.05 135.00 134.85 3d3v s PRO 121 Ca 0.16 1.54 -0.01 0.00 0.04 0.00 0.00 61.00 62.74 3d3v s PRO 121 Cb -0.09 -2.69 0.11 0.00 0.04 0.00 0.00 34.50 31.87 3d3v s PRO 121 CO -0.07 -0.03 0.13 0.16 0.04 0.00 0.00 177.00 177.23 3d3v s ASP 122 N -1.45 3.88 0.01 6.66 -4.77 -1.19 -5.04 116.67 114.79 3d3v s ASP 122 Ca 0.55 -1.78 -0.36 0.00 -3.30 0.00 0.00 52.55 47.66 3d3v s ASP 122 Cb -0.23 -0.82 -0.14 0.00 -1.09 0.00 0.00 42.92 40.63 3d3v s ASP 122 CO 0.30 -0.39 1.62 -2.65 0.70 0.00 0.00 175.17 174.74 3d3v n PRO 123 N 4.65 1.75 -3.79 2.11 -0.02 -1.25 -4.67 135.00 133.79 3d3v n PRO 123 Ca -0.00 0.64 -0.13 0.00 -2.02 0.00 0.00 63.50 61.99 3d3v n PRO 123 Cb 0.41 -2.38 -0.13 0.00 -0.02 0.00 0.00 33.50 31.38 3d3v n PRO 123 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d3v s ALA 124 N 1.98 -0.33 -0.12 3.55 0.00 0.20 -2.13 121.76 124.91 3d3v s ALA 124 Ca 0.87 0.54 0.01 0.00 0.00 0.00 0.00 51.96 53.38 3d3v s ALA 124 Cb -0.81 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 3d3v s ALA 124 CO 0.48 -0.11 -0.14 0.08 0.00 0.00 0.00 175.76 176.07 3d3v s VAL 125 N 0.58 2.98 0.13 0.00 1.01 -0.85 0.86 120.40 125.11 3d3v s VAL 125 Ca -0.04 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.29 3d3v s VAL 125 Cb -0.06 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3d3v s VAL 125 CO -0.03 0.54 -0.10 -0.31 0.00 0.00 0.00 175.10 175.19 3d3v s TYR 126 N 0.19 1.21 -0.13 5.22 2.02 -0.30 -3.83 117.35 121.73 3d3v s TYR 126 Ca -0.08 -0.71 -0.00 0.00 -0.37 0.00 0.00 57.07 55.91 3d3v s TYR 126 Cb -0.15 -0.63 -0.02 0.00 -0.40 0.00 0.00 41.96 40.76 3d3v s TYR 126 CO 0.05 0.06 -0.13 -1.14 -1.57 0.00 0.00 175.55 172.83 3d3v s GLN 127 N -3.34 3.36 -0.11 -0.62 0.74 -1.26 -1.87 119.66 116.56 3d3v s GLN 127 Ca 0.12 -0.67 0.02 0.00 0.05 0.00 0.00 55.36 54.88 3d3v s GLN 127 Cb 0.00 -2.64 -0.01 0.00 1.10 0.00 0.00 33.01 31.47 3d3v s GLN 127 CO 0.01 0.24 -0.19 -0.51 -0.55 0.00 0.00 175.29 174.28 3d3v s LEU 128 N 0.30 2.39 0.37 3.68 1.43 -0.47 -5.00 118.68 121.36 3d3v s LEU 128 Ca -0.10 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 3d3v s LEU 128 Cb -0.16 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 3d3v s LEU 128 CO 0.05 0.16 0.58 -0.13 0.23 0.00 0.00 176.35 177.25 3d3v s ARG 129 N 0.33 3.45 0.24 1.70 0.52 -1.26 -2.60 118.95 121.33 3d3v s ARG 129 Ca -0.15 -0.31 -0.03 0.00 -0.52 0.00 0.00 55.73 54.72 3d3v s ARG 129 Cb -0.17 -2.63 0.05 0.00 0.52 0.00 0.00 34.95 32.72 3d3v s ARG 129 CO 0.07 0.08 0.32 -0.40 0.02 0.00 0.00 175.30 175.40 3d3v n ASP 130 N -1.85 0.09 0.05 0.23 3.85 -1.26 -5.01 116.55 112.64 3d3v n ASP 130 Ca -0.04 -1.15 -0.21 0.00 -0.71 0.00 0.00 54.79 52.68 3d3v n ASP 130 Cb 0.56 -0.24 -0.15 0.00 -1.35 0.00 0.00 41.12 39.95 3d3v n ASP 130 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3d3v h SER 131 N -0.39 0.50 0.00 -1.12 4.64 -1.99 -3.48 113.55 111.71 3d3v h SER 131 Ca -0.10 -0.91 0.00 0.00 -0.47 0.00 0.00 61.79 60.30 3d3v h SER 131 Cb 0.30 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3d3v h SER 131 CO 0.08 1.54 0.00 0.29 -0.87 0.00 0.00 176.83 177.87 3d3v n LYS 132 N -3.97 0.00 -3.22 4.77 5.02 -1.26 -5.12 118.16 114.38 3d3v n LYS 132 Ca -0.19 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.90 3d3v n LYS 132 Cb 0.90 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.84 3d3v n LYS 132 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3d3v s SER 133 N 1.00 0.64 -0.07 4.39 0.15 -1.26 -5.06 113.70 113.50 3d3v s SER 133 Ca 0.00 -2.62 -0.01 0.00 0.70 0.00 0.00 55.95 54.03 3d3v s SER 133 Cb 0.00 0.25 0.03 0.00 -1.71 0.00 0.00 66.02 64.58 3d3v s SER 133 CO 0.00 -0.14 -0.02 -0.55 1.20 0.00 0.00 173.24 173.72 3d3v s SER 134 N 0.37 1.46 -1.47 5.45 0.15 -1.26 -5.08 113.70 113.31 3d3v s SER 134 Ca 0.31 -0.12 -0.08 0.00 0.70 0.00 0.00 55.95 56.76 3d3v s SER 134 Cb 0.01 -0.49 0.02 0.00 -1.71 0.00 0.00 66.02 63.86 3d3v s SER 134 CO -0.15 -0.14 2.65 0.47 1.20 0.00 0.00 173.24 177.27 3d3v n ASP 135 N 4.80 8.36 -3.68 5.45 8.00 -1.26 -4.78 116.55 133.44 3d3v n ASP 135 Ca -0.13 -2.87 -0.14 0.00 0.71 0.00 0.00 54.79 52.35 3d3v n ASP 135 Cb 0.50 -1.46 -0.08 0.00 -0.02 0.00 0.00 41.12 40.06 3d3v n ASP 135 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3d3v s LYS 136 N 0.43 0.70 0.41 -1.24 0.00 -1.26 -4.45 119.74 114.33 3d3v s LYS 136 Ca 0.61 0.41 0.08 0.00 0.00 0.00 0.00 55.97 57.07 3d3v s LYS 136 Cb 0.18 0.33 -0.01 0.00 0.00 0.00 0.00 37.83 38.34 3d3v s LYS 136 CO -0.08 -0.15 0.45 -1.12 0.00 0.00 0.00 175.35 174.46 3d3v s SER 137 N -0.39 5.34 -0.08 0.03 0.01 -1.26 -4.82 113.70 112.53 3d3v s SER 137 Ca -0.05 -0.58 0.04 0.00 1.31 0.00 0.00 55.95 56.67 3d3v s SER 137 Cb -0.03 -0.65 -0.00 0.00 0.21 0.00 0.00 66.02 65.55 3d3v s SER 137 CO 0.03 -0.67 -0.23 -0.69 0.41 0.00 0.00 173.24 172.09 3d3v s VAL 138 N -2.40 1.94 -0.51 3.43 1.01 -1.07 -3.91 120.40 118.89 3d3v s VAL 138 Ca 0.50 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 3d3v s VAL 138 Cb -0.06 -1.67 0.11 0.00 0.00 0.00 0.00 36.38 34.76 3d3v s VAL 138 CO 0.30 0.54 0.43 0.00 0.00 0.00 0.00 175.10 176.37 3d3v s LEU 140 N 1.54 4.11 -0.31 0.00 2.96 -0.78 -1.41 118.68 124.79 3d3v s LEU 140 Ca 0.04 1.39 -0.09 0.00 -0.22 0.00 0.00 54.13 55.24 3d3v s LEU 140 Cb -0.28 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.87 3d3v s LEU 140 CO 0.03 -0.66 0.15 0.12 -1.32 0.00 0.00 176.35 174.66 3d3v s PHE 141 N 3.15 3.18 0.30 5.38 5.36 -0.21 -1.16 117.98 133.99 3d3v s PHE 141 Ca 0.44 -0.63 0.06 0.00 -0.96 0.00 0.00 56.93 55.84 3d3v s PHE 141 Cb -0.15 -2.35 -0.03 0.00 -0.34 0.00 0.00 43.02 40.15 3d3v s PHE 141 CO 0.07 -0.48 0.25 -0.08 -1.46 0.00 0.00 175.22 173.52 3d3v s THR 142 N 1.60 0.00 -1.75 0.12 -1.32 0.25 -1.09 115.64 113.44 3d3v s THR 142 Ca 0.04 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.53 3d3v s THR 142 Cb -0.17 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 3d3v s THR 142 CO 0.06 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 172.94 3d3v n ASP 143 N -1.29 -5.04 -3.67 8.08 8.00 -0.47 -0.63 116.55 121.54 3d3v n ASP 143 Ca 0.06 0.36 -0.13 0.00 0.71 0.00 0.00 54.79 55.79 3d3v n ASP 143 Cb 0.63 -4.05 0.06 0.00 -0.02 0.00 0.00 41.12 37.74 3d3v n ASP 143 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3d3v n PHE 144 N -2.72 -2.88 -2.15 1.24 1.16 -1.26 -3.15 117.46 107.70 3d3v n PHE 144 Ca -0.17 -1.17 -0.41 0.00 -1.87 0.00 0.00 57.45 53.82 3d3v n PHE 144 Cb 0.57 -0.40 -0.02 0.00 -1.61 0.00 0.00 39.48 38.02 3d3v n PHE 144 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3d3v s ASP 145 N -3.38 6.82 0.17 5.98 2.15 -1.26 -4.69 116.67 122.46 3d3v s ASP 145 Ca 0.39 2.61 0.21 0.00 0.43 0.00 0.00 52.55 56.20 3d3v s ASP 145 Cb -0.03 -2.64 0.87 0.00 -0.30 0.00 0.00 42.92 40.83 3d3v s ASP 145 CO 0.26 -0.52 1.65 -1.20 -0.17 0.00 0.00 175.17 175.19 3d3v n SER 146 N 1.24 0.46 0.18 -0.34 7.64 -1.26 -2.23 113.62 119.30 3d3v n SER 146 Ca 0.01 0.60 0.13 0.00 1.01 0.00 0.00 58.87 60.63 3d3v n SER 146 Cb 0.42 -0.70 0.38 0.00 -1.01 0.00 0.00 64.21 63.29 3d3v n SER 146 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3d3v h GLN 147 N 0.00 0.00 -6.34 1.43 4.20 -1.98 -3.47 115.11 108.95 3d3v h GLN 147 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 3d3v h GLN 147 Cb 0.36 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 3d3v h GLN 147 CO 0.00 0.00 0.90 0.99 -0.67 0.00 0.00 178.83 180.05 3d3v s THR 148 N -3.26 3.67 0.57 -0.54 2.01 -0.95 -5.04 115.64 112.10 3d3v s THR 148 Ca 0.07 1.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.92 3d3v s THR 148 Cb 0.09 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 3d3v s THR 148 CO 0.59 -0.03 1.02 0.20 -0.69 0.00 0.00 174.62 175.71 3d3v s ASN 149 N 2.20 6.25 -0.57 3.53 0.01 -1.26 -5.05 114.94 120.05 3d3v s ASN 149 Ca 0.66 1.61 0.04 0.00 -0.71 0.00 0.00 52.86 54.46 3d3v s ASN 149 Cb -0.32 -2.51 0.16 0.00 0.41 0.00 0.00 41.25 38.99 3d3v s ASN 149 CO 0.26 -0.85 0.37 0.68 -1.51 0.00 0.00 177.10 176.06 3d3v s VAL 150 N -2.71 2.08 -0.15 1.60 -7.23 -1.26 -4.47 120.40 108.27 3d3v s VAL 150 Ca 0.59 -3.46 -0.29 0.00 -1.81 0.00 0.00 61.98 57.01 3d3v s VAL 150 Cb -0.12 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 3d3v s VAL 150 CO 0.38 -0.98 1.48 -0.44 -0.31 0.00 0.00 175.10 175.23 3d3v s SER 151 N -0.60 6.70 -0.66 4.85 0.01 -1.26 -4.93 113.70 117.80 3d3v s SER 151 Ca 0.23 1.83 -0.16 0.00 1.31 0.00 0.00 55.95 59.16 3d3v s SER 151 Cb -0.11 -2.54 0.15 0.00 0.21 0.00 0.00 66.02 63.74 3d3v s SER 151 CO -0.11 -0.95 0.65 0.00 0.41 0.00 0.00 173.24 173.25 3d3v s GLN 152 N 4.00 3.23 0.00 12.44 -2.07 -1.26 -4.64 119.66 131.35 3d3v s GLN 152 Ca 0.65 -1.89 0.11 0.00 -1.82 0.00 0.00 55.36 52.41 3d3v s GLN 152 Cb -0.26 -4.37 0.18 0.00 -1.09 0.00 0.00 33.01 27.47 3d3v s GLN 152 CO 0.24 -1.38 1.01 0.45 -1.32 0.00 0.00 175.29 174.29 3d3v n SER 153 N 5.10 0.09 0.00 12.60 2.88 -1.26 -5.02 113.62 128.01 3d3v n SER 153 Ca -0.02 -1.88 0.00 0.00 -1.33 0.00 0.00 58.87 55.63 3d3v n SER 153 Cb 0.43 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 3d3v n SER 153 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3d3v n LYS 154 N 0.21 0.00 0.00 -1.46 4.81 -1.26 -5.11 118.16 115.35 3d3v n LYS 154 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 3d3v n LYS 154 Cb 0.86 -0.26 0.00 0.00 0.02 0.00 0.00 35.03 35.65 3d3v n LYS 154 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3d3v n ASP 155 N -0.30 0.73 -0.64 3.14 -0.08 -1.26 -5.02 116.55 113.12 3d3v n ASP 155 Ca 0.00 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.33 3d3v n ASP 155 Cb 0.00 0.00 0.08 0.00 2.34 0.00 0.00 41.12 43.54 3d3v n ASP 155 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3d3v n SER 156 N 0.00 1.20 -0.08 1.67 3.41 -1.26 -4.71 113.62 113.85 3d3v n SER 156 Ca 0.00 -2.67 -0.19 0.00 -0.26 0.00 0.00 58.87 55.74 3d3v n SER 156 Cb 0.00 -0.35 -0.13 0.00 -0.26 0.00 0.00 64.21 63.47 3d3v n SER 156 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3d3v n ASP 157 N -0.49 2.03 -4.34 4.04 10.43 -1.26 -4.91 116.55 122.04 3d3v n ASP 157 Ca 0.09 -0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.09 3d3v n ASP 157 Cb 0.79 -0.58 -0.13 0.00 1.84 0.00 0.00 41.12 43.03 3d3v n ASP 157 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3d3v s VAL 158 N -2.53 3.65 -0.29 2.53 1.01 -1.26 -4.67 120.40 118.84 3d3v s VAL 158 Ca -0.30 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 3d3v s VAL 158 Cb 0.08 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 3d3v s VAL 158 CO 0.66 0.35 0.17 -0.31 0.00 0.00 0.00 175.10 175.97 3d3v s TYR 159 N 1.51 3.19 0.10 5.22 4.12 -0.94 -4.65 117.35 125.91 3d3v s TYR 159 Ca 0.05 -0.16 0.06 0.00 0.02 0.00 0.00 57.07 57.04 3d3v s TYR 159 Cb -0.15 -2.36 -0.04 0.00 -1.52 0.00 0.00 41.96 37.89 3d3v s TYR 159 CO -0.01 -0.28 -0.03 0.42 0.02 0.00 0.00 175.55 175.67 3d3v s ILE 160 N 1.70 3.81 0.00 2.71 1.01 -1.26 -1.74 121.20 127.42 3d3v s ILE 160 Ca 0.06 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.60 3d3v s ILE 160 Cb -0.16 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.49 3d3v s ILE 160 CO 0.09 0.09 0.00 0.35 0.00 0.00 0.00 174.94 175.47 3d3v n THR 161 N 0.53 0.00 -3.44 2.92 -2.24 0.75 -4.99 114.28 107.82 3d3v n THR 161 Ca -0.11 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.45 3d3v n THR 161 Cb 0.52 -1.76 0.01 0.00 -2.10 0.00 0.00 70.33 67.00 3d3v n THR 161 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3d3v s ASP 162 N -1.00 4.99 0.03 3.42 1.11 -1.26 -4.81 116.67 119.15 3d3v s ASP 162 Ca 0.00 -0.91 -0.30 0.00 0.18 0.00 0.00 52.55 51.51 3d3v s ASP 162 Cb 0.00 0.04 -0.04 0.00 1.07 0.00 0.00 42.92 43.99 3d3v s ASP 162 CO 0.00 -1.04 1.03 -0.75 1.18 0.00 0.00 175.17 175.59 3d3v s LYS 163 N -4.38 4.54 0.11 8.23 2.20 -1.26 -4.44 119.74 124.74 3d3v s LYS 163 Ca 0.49 1.52 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 3d3v s LYS 163 Cb -0.04 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 3d3v s LYS 163 CO 0.30 -0.07 -0.00 0.95 -0.36 0.00 0.00 175.35 176.16 3d3v s THR 164 N 0.89 0.37 -0.20 3.43 -4.23 -0.28 -4.98 115.64 110.64 3d3v s THR 164 Ca 0.53 -1.90 -0.02 0.00 -1.18 0.00 0.00 61.69 59.12 3d3v s THR 164 Cb -0.23 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 71.77 3d3v s THR 164 CO 0.29 -0.71 -0.10 -0.69 -0.54 0.00 0.00 174.62 172.87 3d3v s VAL 165 N -3.85 2.88 0.33 2.29 1.01 -1.26 -0.83 120.40 120.97 3d3v s VAL 165 Ca 0.17 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3d3v s VAL 165 Cb 0.07 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3d3v s VAL 165 CO -0.03 0.47 0.51 -1.48 0.00 0.00 0.00 175.10 174.57 3d3v s LEU 166 N 1.35 4.04 -0.17 3.92 0.05 -0.88 -4.96 118.68 122.02 3d3v s LEU 166 Ca 0.04 0.27 -0.05 0.00 0.05 0.00 0.00 54.13 54.44 3d3v s LEU 166 Cb -0.14 -3.12 0.08 0.00 -2.05 0.00 0.00 46.19 40.97 3d3v s LEU 166 CO -0.06 -0.31 0.33 -0.62 -0.55 0.00 0.00 176.35 175.14 3d3v s ASP 167 N -4.06 0.19 -0.16 1.48 2.15 -1.26 -2.40 116.67 112.61 3d3v s ASP 167 Ca 0.40 0.64 -0.06 0.00 0.43 0.00 0.00 52.55 53.96 3d3v s ASP 167 Cb -0.09 0.95 -0.04 0.00 -0.30 0.00 0.00 42.92 43.44 3d3v s ASP 167 CO 0.34 -0.25 0.05 -0.04 -0.17 0.00 0.00 175.17 175.11 3d3v s MET 168 N 2.50 3.75 -1.32 4.34 -1.94 -1.25 -4.99 119.30 120.40 3d3v s MET 168 Ca 0.02 -0.34 -0.13 0.00 -1.71 0.00 0.00 55.69 53.53 3d3v s MET 168 Cb -0.13 -3.13 0.12 0.00 2.01 0.00 0.00 34.83 33.71 3d3v s MET 168 CO -0.11 0.39 1.86 -2.13 -0.01 0.00 0.00 175.02 175.03 3d3v n ARG 169 N 3.15 3.31 0.05 2.03 0.63 -1.26 -3.06 116.66 121.51 3d3v n ARG 169 Ca -0.17 -3.31 0.00 0.00 -0.92 0.00 0.00 57.85 53.44 3d3v n ARG 169 Cb 0.53 -3.12 0.00 0.00 0.45 0.00 0.00 32.46 30.31 3d3v n ARG 169 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3d3v n SER 170 N 5.44 -0.88 -1.00 6.15 2.88 -1.26 -4.90 113.62 120.05 3d3v n SER 170 Ca 0.44 0.20 0.11 0.00 -1.33 0.00 0.00 58.87 58.29 3d3v n SER 170 Cb 0.40 1.16 0.16 0.00 -0.75 0.00 0.00 64.21 65.17 3d3v n SER 170 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 3d3v n MET 171 N -2.72 2.27 -3.89 -1.46 1.56 -1.26 -4.95 117.12 106.66 3d3v n MET 171 Ca 0.00 -2.05 -0.32 0.00 -0.27 0.00 0.00 57.70 55.06 3d3v n MET 171 Cb 0.00 -1.46 0.01 0.00 2.15 0.00 0.00 33.22 33.92 3d3v n MET 171 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 3d3v n ASP 172 N 1.32 -2.87 -4.16 6.12 2.03 -1.17 -4.93 116.55 112.89 3d3v n ASP 172 Ca 0.16 -1.08 -0.38 0.00 0.52 0.00 0.00 54.79 54.00 3d3v n ASP 172 Cb 0.57 -2.83 -0.05 0.00 -0.72 0.00 0.00 41.12 38.08 3d3v n ASP 172 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3d3v s PHE 173 N -3.72 3.88 -0.18 -0.67 5.36 -1.20 -4.95 117.98 116.50 3d3v s PHE 173 Ca 0.28 -2.85 -0.29 0.00 -0.96 0.00 0.00 56.93 53.10 3d3v s PHE 173 Cb -0.12 -3.38 -0.01 0.00 -0.34 0.00 0.00 43.02 39.17 3d3v s PHE 173 CO 0.90 -0.81 1.30 0.15 -1.46 0.00 0.00 175.22 175.30 3d3v s LYS 174 N -1.04 4.18 -0.02 10.12 1.02 -1.26 -3.74 119.74 129.01 3d3v s LYS 174 Ca 0.26 1.64 0.01 0.00 0.02 0.00 0.00 55.97 57.90 3d3v s LYS 174 Cb -0.10 -3.80 0.01 0.00 -0.52 0.00 0.00 37.83 33.42 3d3v s LYS 174 CO -0.10 -0.77 -0.03 -1.54 -0.92 0.00 0.00 175.35 171.98 3d3v s SER 175 N 2.19 0.53 0.51 2.83 1.04 -1.01 -4.73 113.70 115.05 3d3v s SER 175 Ca 0.56 -0.07 -0.19 0.00 0.48 0.00 0.00 55.95 56.73 3d3v s SER 175 Cb -0.22 -0.15 -0.07 0.00 0.10 0.00 0.00 66.02 65.68 3d3v s SER 175 CO 0.17 -0.00 1.05 0.20 0.98 0.00 0.00 173.24 175.63 3d3v s ASN 176 N 0.34 6.20 0.05 7.02 0.02 -1.26 -2.07 114.94 125.24 3d3v s ASN 176 Ca -0.03 1.92 -0.16 0.00 -1.02 0.00 0.00 52.86 53.56 3d3v s ASN 176 Cb -0.07 -2.56 0.03 0.00 0.02 0.00 0.00 41.25 38.68 3d3v s ASN 176 CO -0.01 -0.88 0.37 -0.94 0.02 0.00 0.00 177.10 175.67 3d3v s SER 177 N -2.13 -0.21 0.09 -1.22 1.04 -0.01 -1.37 113.70 109.89 3d3v s SER 177 Ca 0.67 -0.12 -0.03 0.00 0.48 0.00 0.00 55.95 56.95 3d3v s SER 177 Cb -0.17 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 3d3v s SER 177 CO 0.24 -0.67 0.06 0.00 0.98 0.00 0.00 173.24 173.84 3d3v s ALA 178 N -2.69 0.49 -0.01 5.32 0.00 -0.25 -1.13 121.76 123.49 3d3v s ALA 178 Ca -0.04 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 50.74 3d3v s ALA 178 Cb -0.00 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.68 3d3v s ALA 178 CO -0.04 -0.45 -0.06 0.08 0.00 0.00 0.00 175.76 175.29 3d3v s VAL 179 N -3.96 0.49 0.14 0.00 1.01 -1.26 -1.04 120.40 115.78 3d3v s VAL 179 Ca 0.14 -0.22 0.10 0.00 0.00 0.00 0.00 61.98 62.00 3d3v s VAL 179 Cb 0.07 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 3d3v s VAL 179 CO -0.05 0.16 -0.24 0.00 0.00 0.00 0.00 175.10 174.97 3d3v s ALA 180 N 0.14 2.28 0.05 5.51 0.00 -0.50 -0.18 121.76 129.06 3d3v s ALA 180 Ca -0.01 -1.48 -0.21 0.00 0.00 0.00 0.00 51.96 50.26 3d3v s ALA 180 Cb -0.06 -0.32 0.05 0.00 0.00 0.00 0.00 23.12 22.79 3d3v s ALA 180 CO -0.00 0.45 0.48 1.67 0.00 0.00 0.00 175.76 178.36 3d3v s TRP 181 N -1.33 -0.37 -0.17 0.00 -2.14 -0.71 -0.60 118.94 113.63 3d3v s TRP 181 Ca 0.15 0.37 -0.25 0.00 2.66 0.00 0.00 56.10 59.03 3d3v s TRP 181 Cb -0.09 0.30 0.06 0.00 -3.10 0.00 0.00 33.47 30.65 3d3v s TRP 181 CO 0.07 -0.63 0.64 0.45 -2.66 0.00 0.00 176.95 174.82 3d3v s SER 182 N -2.02 -0.64 0.00 -2.66 0.15 -1.25 -2.20 113.70 105.07 3d3v s SER 182 Ca -0.05 1.04 0.00 0.00 0.70 0.00 0.00 55.95 57.64 3d3v s SER 182 Cb -0.01 1.00 0.00 0.00 -1.71 0.00 0.00 66.02 65.31 3d3v s SER 182 CO -0.02 -0.37 0.00 -0.46 1.20 0.00 0.00 173.24 173.59 3d3v n ASN 183 N 2.04 0.00 -4.57 5.45 6.94 -1.26 -4.02 115.26 119.83 3d3v n ASN 183 Ca -0.16 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.23 3d3v n ASN 183 Cb 0.56 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.89 3d3v n ASN 183 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3d3v s LYS 184 N 0.00 1.59 0.25 -3.83 1.02 -1.26 -4.83 119.74 112.67 3d3v s LYS 184 Ca 0.00 -0.19 -0.01 0.00 0.02 0.00 0.00 55.97 55.79 3d3v s LYS 184 Cb 0.00 -4.95 -0.03 0.00 -0.52 0.00 0.00 37.83 32.33 3d3v s LYS 184 CO 0.00 -4.79 0.24 0.45 -0.92 0.00 0.00 175.35 170.33 3d3v s SER 185 N 9.06 0.54 -0.48 2.83 0.15 -1.26 -5.04 113.70 119.50 3d3v s SER 185 Ca 0.83 -1.43 0.08 0.00 0.70 0.00 0.00 55.95 56.13 3d3v s SER 185 Cb -0.07 0.47 0.38 0.00 -1.71 0.00 0.00 66.02 65.08 3d3v s SER 185 CO 0.12 -0.97 0.95 -0.67 1.20 0.00 0.00 173.24 173.87 3d3v n ASP 186 N -0.68 3.54 -4.22 5.45 -0.08 -1.26 -5.08 116.55 114.21 3d3v n ASP 186 Ca 0.03 -3.47 -0.28 0.00 -1.51 0.00 0.00 54.79 49.56 3d3v n ASP 186 Cb 0.64 -0.54 -0.16 0.00 2.34 0.00 0.00 41.12 43.40 3d3v n ASP 186 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3d3v s PHE 187 N -3.26 1.94 0.06 -0.67 5.36 -1.26 -5.14 117.98 115.01 3d3v s PHE 187 Ca 0.45 -0.43 0.01 0.00 -0.96 0.00 0.00 56.93 55.99 3d3v s PHE 187 Cb 0.34 -1.26 -0.00 0.00 -0.34 0.00 0.00 43.02 41.76 3d3v s PHE 187 CO -0.12 -0.08 0.02 0.00 -1.46 0.00 0.00 175.22 173.58 3d3v n ALA 188 N 2.70 0.08 0.06 11.12 0.00 -1.26 -5.06 120.51 128.15 3d3v n ALA 188 Ca -0.16 -0.29 0.11 0.00 0.00 0.00 0.00 53.44 53.10 3d3v n ALA 188 Cb 0.53 0.19 -0.07 0.00 0.00 0.00 0.00 19.45 20.10 3d3v n ALA 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d3v n ALA 190 N -2.21 2.48 -2.54 0.00 0.00 -1.26 -3.55 120.51 113.42 3d3v n ALA 190 Ca -0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 3d3v n ALA 190 Cb 0.56 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.62 3d3v n ALA 190 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3d3v n ASN 191 N -1.44 2.46 -0.00 0.00 3.02 -1.26 -4.79 115.26 113.25 3d3v n ASN 191 Ca 0.08 -2.56 0.07 0.00 -0.03 0.00 0.00 54.58 52.14 3d3v n ASN 191 Cb 0.32 -0.43 -0.09 0.00 -0.61 0.00 0.00 39.78 38.97 3d3v n ASN 191 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d3v n ALA 192 N -0.56 3.15 -1.44 5.41 0.00 -1.23 -4.43 120.51 121.41 3d3v n ALA 192 Ca 0.18 -0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.31 3d3v n ALA 192 Cb 0.87 -0.48 0.07 0.00 0.00 0.00 0.00 19.45 19.91 3d3v n ALA 192 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3d3v n PHE 193 N -1.63 0.00 1.01 0.00 3.01 -1.26 -4.73 117.46 113.85 3d3v n PHE 193 Ca 0.00 -0.52 0.02 0.00 1.01 0.00 0.00 57.45 57.96 3d3v n PHE 193 Cb 0.28 -0.10 0.08 0.00 -0.01 0.00 0.00 39.48 39.73 3d3v n PHE 193 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3d3v n ASN 194 N -0.74 1.48 -0.93 4.37 4.13 -1.26 -1.65 115.26 120.65 3d3v n ASN 194 Ca 0.08 -2.11 0.12 0.00 1.68 0.00 0.00 54.58 54.35 3d3v n ASN 194 Cb 0.65 -0.34 0.21 0.00 -1.54 0.00 0.00 39.78 38.75 3d3v n ASN 194 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 3d3v n ASN 195 N 0.05 2.86 -4.42 6.41 2.04 -1.26 -5.01 115.26 115.93 3d3v n ASN 195 Ca 0.06 -1.92 -0.21 0.00 -0.44 0.00 0.00 54.58 52.07 3d3v n ASN 195 Cb 0.31 -0.08 -0.10 0.00 -2.53 0.00 0.00 39.78 37.37 3d3v n ASN 195 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 3d3v s SER 196 N -1.81 2.75 -0.58 0.53 0.01 -0.66 -4.60 113.70 109.34 3d3v s SER 196 Ca 0.33 -1.18 -0.25 0.00 1.31 0.00 0.00 55.95 56.16 3d3v s SER 196 Cb 0.21 -0.16 0.04 0.00 0.21 0.00 0.00 66.02 66.31 3d3v s SER 196 CO 0.31 -0.34 1.00 0.27 0.41 0.00 0.00 173.24 174.90 3d3v s ILE 197 N -3.01 4.28 -0.13 1.44 -0.00 -1.26 -5.02 121.20 117.50 3d3v s ILE 197 Ca 0.29 0.33 -0.02 0.00 -0.00 0.00 0.00 60.65 61.25 3d3v s ILE 197 Cb 0.04 -4.61 -0.03 0.00 -0.00 0.00 0.00 42.46 37.86 3d3v s ILE 197 CO 0.12 -1.23 -0.05 -0.63 -0.00 0.00 0.00 174.94 173.16 3d3v s ILE 198 N 4.23 3.85 0.91 8.37 1.01 -1.26 -4.57 121.20 133.73 3d3v s ILE 198 Ca 0.32 -0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.48 3d3v s ILE 198 Cb -0.12 -2.65 0.14 0.00 0.01 0.00 0.00 42.46 39.84 3d3v s ILE 198 CO 0.19 0.53 1.12 -2.16 0.00 0.00 0.00 174.94 174.62 3d3v s PRO 199 N -0.04 1.09 0.00 2.79 0.04 -1.26 -4.93 135.00 132.69 3d3v s PRO 199 Ca 0.01 1.34 0.09 0.00 0.04 0.00 0.00 61.00 62.49 3d3v s PRO 199 Cb -0.13 -1.75 0.56 0.00 0.04 0.00 0.00 34.50 33.22 3d3v s PRO 199 CO 0.03 -2.51 1.35 0.39 0.04 0.00 0.00 177.00 176.30 3d3v n GLU 200 N -4.13 0.98 -2.11 4.56 1.02 -1.26 -3.02 120.64 116.68 3d3v n GLU 200 Ca 0.10 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.04 3d3v n GLU 200 Cb 0.53 -1.15 0.03 0.00 -0.02 0.00 0.00 31.44 30.82 3d3v n GLU 200 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3d3v n ASP 201 N -0.65 4.39 -4.70 1.62 5.75 -1.26 -5.04 116.55 116.66 3d3v n ASP 201 Ca 0.07 -3.50 -0.39 0.00 -0.01 0.00 0.00 54.79 50.96 3d3v n ASP 201 Cb 0.03 -0.36 -0.06 0.00 -1.03 0.00 0.00 41.12 39.70 3d3v n ASP 201 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3d3v s THR 202 N -4.46 5.10 -0.50 2.12 2.01 -1.17 -4.55 115.64 114.20 3d3v s THR 202 Ca 0.47 1.13 -0.27 0.00 0.31 0.00 0.00 61.69 63.34 3d3v s THR 202 Cb 0.40 -3.91 0.03 0.00 0.01 0.00 0.00 72.50 69.03 3d3v s THR 202 CO 0.03 0.23 1.05 0.12 -0.69 0.00 0.00 174.62 175.36 3d3v s PHE 203 N 1.13 2.81 0.12 4.92 2.19 -0.91 -4.96 117.98 123.27 3d3v s PHE 203 Ca 0.29 0.44 -0.20 0.00 0.33 0.00 0.00 56.93 57.79 3d3v s PHE 203 Cb -0.16 -4.25 -0.07 0.00 -1.31 0.00 0.00 43.02 37.23 3d3v s PHE 203 CO 0.12 -1.29 0.64 -0.06 1.83 0.00 0.00 175.22 176.46 3d3v s PHE 204 N 4.25 3.80 0.33 10.12 0.40 -1.26 -2.01 117.98 133.60 3d3v s PHE 204 Ca 0.41 1.36 -0.17 0.00 -0.60 0.00 0.00 56.93 57.93 3d3v s PHE 204 Cb -0.09 -2.57 -0.09 0.00 0.51 0.00 0.00 43.02 40.78 3d3v s PHE 204 CO 0.27 0.53 0.77 -1.25 0.70 0.00 0.00 175.22 176.24 3d3v s PRO 205 N -1.30 4.08 0.00 0.24 0.04 -1.25 -5.02 135.00 131.79 3d3v s PRO 205 Ca 0.33 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.15 3d3v s PRO 205 Cb -0.20 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.88 3d3v s PRO 205 CO 0.21 0.16 0.00 -1.13 0.04 0.00 0.00 177.00 176.28