#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dtw s THR 2 N 0.00 2.98 0.25 0.58 2.01 -1.26 -0.95 115.64 119.25 2dtw s THR 2 Ca 0.00 -1.16 -0.02 0.00 0.31 0.00 0.00 61.69 60.82 2dtw s THR 2 Cb 0.00 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 2dtw s THR 2 CO 0.00 0.06 0.46 -0.51 -0.69 0.00 0.00 174.62 173.95 2dtw s ILE 3 N 1.30 5.13 -0.18 1.82 1.10 -0.65 -4.97 121.20 124.75 2dtw s ILE 3 Ca -0.02 -0.23 -0.29 0.00 -0.51 0.00 0.00 60.65 59.60 2dtw s ILE 3 Cb -0.18 -3.75 0.11 0.00 0.15 0.00 0.00 42.46 38.79 2dtw s ILE 3 CO -0.03 -0.27 0.93 -0.55 -2.11 0.00 0.00 174.94 172.92 2dtw s SER 4 N -3.27 -0.46 0.08 4.50 0.15 -1.26 -2.00 113.70 111.44 2dtw s SER 4 Ca 0.40 0.64 -0.26 0.00 0.70 0.00 0.00 55.95 57.43 2dtw s SER 4 Cb -0.11 0.56 0.08 0.00 -1.71 0.00 0.00 66.02 64.84 2dtw s SER 4 CO 0.30 -0.34 0.81 0.72 1.20 0.00 0.00 173.24 175.94 2dtw s PHE 5 N -0.70 -0.35 -0.28 3.44 -0.12 -0.49 -5.02 117.98 114.46 2dtw s PHE 5 Ca -0.02 0.15 -0.24 0.00 -0.05 0.00 0.00 56.93 56.77 2dtw s PHE 5 Cb -0.02 0.57 0.11 0.00 -0.63 0.00 0.00 43.02 43.05 2dtw s PHE 5 CO 0.01 -0.72 0.91 0.54 -0.05 0.00 0.00 175.22 175.92 2dtw s ASN 6 N -2.65 -0.58 -0.29 1.98 2.20 -1.26 0.00 114.94 114.34 2dtw s ASN 6 Ca 0.05 1.08 -0.01 0.00 -0.94 0.00 0.00 52.86 53.05 2dtw s ASN 6 Cb -0.01 1.12 0.05 0.00 -2.00 0.00 0.00 41.25 40.41 2dtw s ASN 6 CO -0.07 -0.18 -0.02 -0.36 -2.94 0.00 0.00 177.10 173.52 2dtw s PHE 7 N 0.48 3.27 -0.70 1.54 0.08 0.34 -4.94 117.98 118.05 2dtw s PHE 7 Ca 0.00 -1.98 0.26 0.00 0.12 0.00 0.00 56.93 55.33 2dtw s PHE 7 Cb -0.05 -2.08 0.80 0.00 -0.57 0.00 0.00 43.02 41.12 2dtw s PHE 7 CO -0.06 -0.82 1.77 -0.91 -0.10 0.00 0.00 175.22 175.09 2dtw h ASN 8 N 7.95 0.00 -4.98 1.36 -0.26 -1.91 0.20 115.58 117.93 2dtw h ASN 8 Ca -0.20 0.00 0.08 0.00 -0.56 0.00 0.00 56.30 55.61 2dtw h ASN 8 Cb 1.06 0.00 -0.10 0.00 -1.06 0.00 0.00 38.32 38.21 2dtw h ASN 8 CO 0.52 0.00 0.35 -1.58 -1.06 0.00 0.00 177.43 175.65 2dtw s GLN 9 N -3.12 1.26 -0.10 0.81 0.74 -1.26 -4.73 119.66 113.26 2dtw s GLN 9 Ca 0.10 -0.59 0.02 0.00 0.05 0.00 0.00 55.36 54.94 2dtw s GLN 9 Cb 0.12 0.50 -0.02 0.00 1.10 0.00 0.00 33.01 34.71 2dtw s GLN 9 CO 0.59 -0.57 -0.14 -0.06 -0.55 0.00 0.00 175.29 174.56 2dtw s PHE 10 N -3.53 2.75 0.03 1.67 0.08 -0.80 -5.01 117.98 113.18 2dtw s PHE 10 Ca 0.07 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.65 2dtw s PHE 10 Cb -0.02 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 2dtw s PHE 10 CO -0.04 -0.06 0.12 -1.01 -0.10 0.00 0.00 175.22 174.13 2dtw s HIS 11 N -0.07 3.35 0.12 0.36 3.76 -1.26 -4.25 115.29 117.29 2dtw s HIS 11 Ca -0.02 0.20 -0.35 0.00 -0.15 0.00 0.00 55.06 54.74 2dtw s HIS 11 Cb -0.14 -1.72 -0.14 0.00 1.11 0.00 0.00 32.58 31.69 2dtw s HIS 11 CO 0.04 0.57 1.57 0.94 -0.85 0.00 0.00 174.74 177.00 2dtw n GLN 12 N 0.77 1.96 -3.18 1.40 -0.06 -1.26 -2.75 117.38 114.26 2dtw n GLN 12 Ca -0.10 0.71 -0.06 0.00 -2.00 0.00 0.00 57.00 55.55 2dtw n GLN 12 Cb 0.52 -2.46 0.02 0.00 -4.06 0.00 0.00 30.24 24.26 2dtw n GLN 12 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 2dtw n ASN 13 N 3.60 -7.26 -4.68 1.69 3.02 -1.26 -4.92 115.26 105.46 2dtw n ASN 13 Ca 0.18 -0.30 -0.42 0.00 -0.03 0.00 0.00 54.58 54.00 2dtw n ASN 13 Cb 0.27 -4.93 -0.03 0.00 -0.61 0.00 0.00 39.78 34.48 2dtw n ASN 13 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2dtw s GLU 14 N -3.54 4.28 0.48 3.52 0.41 -1.11 -4.90 118.70 117.84 2dtw s GLU 14 Ca 0.11 1.85 0.26 0.00 -0.41 0.00 0.00 54.97 56.77 2dtw s GLU 14 Cb -0.02 -3.66 1.20 0.00 -1.78 0.00 0.00 34.13 29.87 2dtw s GLU 14 CO 0.76 -0.61 1.96 1.49 -0.49 0.00 0.00 175.26 178.37 2dtw h GLU 15 N 8.03 0.00 0.00 1.61 4.22 -1.91 -2.66 114.58 123.87 2dtw h GLU 15 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.10 2dtw h GLU 15 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2dtw h GLU 15 CO 0.92 0.18 -0.16 1.04 -2.18 0.00 0.00 179.01 178.80 2dtw n GLN 16 N -3.53 0.27 -4.24 1.92 1.13 -1.26 -4.86 117.38 106.82 2dtw n GLN 16 Ca -0.01 0.18 -0.30 0.00 -1.94 0.00 0.00 57.00 54.93 2dtw n GLN 16 Cb 0.33 -1.78 -0.10 0.00 0.11 0.00 0.00 30.24 28.81 2dtw n GLN 16 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2dtw s LEU 17 N -4.45 3.05 -0.27 1.08 1.43 -1.00 0.39 118.68 118.89 2dtw s LEU 17 Ca 0.10 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 2dtw s LEU 17 Cb 0.13 -1.84 0.05 0.00 0.03 0.00 0.00 46.19 44.56 2dtw s LEU 17 CO 0.63 0.18 -0.07 -0.75 0.23 0.00 0.00 176.35 176.57 2dtw s LYS 18 N -2.18 2.39 0.03 1.70 2.20 -0.56 -4.75 119.74 118.57 2dtw s LYS 18 Ca 0.21 -1.27 -0.14 0.00 -0.36 0.00 0.00 55.97 54.42 2dtw s LYS 18 Cb -0.11 -3.00 -0.06 0.00 -1.51 0.00 0.00 37.83 33.15 2dtw s LYS 18 CO 0.13 -0.56 0.42 -0.51 -0.36 0.00 0.00 175.35 174.47 2dtw s LEU 19 N 1.19 4.44 0.05 5.43 2.01 -1.26 -1.77 118.68 128.77 2dtw s LEU 19 Ca -0.06 0.94 0.05 0.00 0.01 0.00 0.00 54.13 55.07 2dtw s LEU 19 Cb -0.19 -2.71 -0.02 0.00 0.01 0.00 0.00 46.19 43.28 2dtw s LEU 19 CO -0.04 0.28 -0.15 -1.10 1.01 0.00 0.00 176.35 176.35 2dtw s GLN 20 N -1.29 0.98 6.55 1.70 -0.21 -0.56 -4.99 119.66 121.84 2dtw s GLN 20 Ca 0.26 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 54.81 2dtw s GLN 20 Cb -0.16 -1.02 0.00 0.00 1.00 0.00 0.00 33.01 32.83 2dtw s GLN 20 CO 0.15 0.25 0.00 0.54 -2.12 0.00 0.00 175.29 174.10 2dtw n ARG 21 N 1.76 0.00 0.00 2.91 5.12 -1.26 -2.33 116.66 122.86 2dtw n ARG 21 Ca -0.18 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 55.86 2dtw n ARG 21 Cb 0.54 0.00 0.61 0.00 -1.16 0.00 0.00 32.46 32.45 2dtw n ARG 21 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2dtw n ASP 22 N 4.54 0.00 -4.72 0.55 8.00 -0.48 -4.88 116.55 119.55 2dtw n ASP 22 Ca 0.00 0.04 -0.42 0.00 0.71 0.00 0.00 54.79 55.12 2dtw n ASP 22 Cb 0.00 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 40.75 2dtw n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dtw n ALA 23 N -1.33 2.73 -2.70 2.24 0.00 -0.98 -4.48 120.51 115.99 2dtw n ALA 23 Ca 0.11 0.39 -0.09 0.00 0.00 0.00 0.00 53.44 53.85 2dtw n ALA 23 Cb 0.22 -2.50 -0.07 0.00 0.00 0.00 0.00 19.45 17.10 2dtw n ALA 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dtw s ARG 24 N 0.70 0.98 -0.21 0.00 1.81 -0.42 -4.63 118.95 117.18 2dtw s ARG 24 Ca 0.72 -0.97 -0.06 0.00 -1.72 0.00 0.00 55.73 53.70 2dtw s ARG 24 Cb -0.51 0.38 -0.03 0.00 -0.45 0.00 0.00 34.95 34.35 2dtw s ARG 24 CO 0.37 -0.34 0.02 0.42 -0.68 0.00 0.00 175.30 175.09 2dtw s ILE 25 N -3.88 4.10 0.88 1.52 1.01 -1.26 -0.47 121.20 123.11 2dtw s ILE 25 Ca 0.08 -0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.35 2dtw s ILE 25 Cb 0.04 -2.87 0.12 0.00 0.01 0.00 0.00 42.46 39.76 2dtw s ILE 25 CO -0.08 0.41 1.14 -0.94 0.00 0.00 0.00 174.94 175.47 2dtw s SER 26 N 1.13 3.76 0.35 3.58 1.04 -0.49 -4.87 113.70 118.20 2dtw s SER 26 Ca 0.03 0.94 0.06 0.00 0.48 0.00 0.00 55.95 57.46 2dtw s SER 26 Cb -0.14 -1.51 0.65 0.00 0.10 0.00 0.00 66.02 65.12 2dtw s SER 26 CO 0.02 -2.39 1.88 0.77 0.98 0.00 0.00 173.24 174.50 2dtw h SER 27 N -1.39 0.40 -0.30 7.02 4.64 -1.97 -2.65 113.55 119.30 2dtw h SER 27 Ca -0.49 -0.08 -0.10 0.00 -0.47 0.00 0.00 61.79 60.64 2dtw h SER 27 Cb 1.33 -0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 63.25 2dtw h SER 27 CO 0.63 0.51 0.13 -0.46 -0.87 0.00 0.00 176.83 176.77 2dtw n ASN 28 N -4.27 3.04 0.00 4.97 6.94 -1.26 -4.90 115.26 119.78 2dtw n ASN 28 Ca 0.01 -2.48 0.00 0.00 -0.02 0.00 0.00 54.58 52.09 2dtw n ASN 28 Cb 0.26 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 37.08 2dtw n ASN 28 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 2dtw n SER 29 N 0.05 -3.56 -4.90 0.53 2.88 -1.00 -4.99 113.62 102.62 2dtw n SER 29 Ca 0.17 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.37 2dtw n SER 29 Cb 0.78 -1.24 -0.05 0.00 -0.75 0.00 0.00 64.21 62.95 2dtw n SER 29 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2dtw s VAL 30 N -1.82 5.42 -0.52 2.46 -7.23 -1.26 -1.91 120.40 115.54 2dtw s VAL 30 Ca 0.00 -0.12 -0.24 0.00 -1.81 0.00 0.00 61.98 59.81 2dtw s VAL 30 Cb 0.00 -3.51 0.04 0.00 0.56 0.00 0.00 36.38 33.47 2dtw s VAL 30 CO 0.00 0.37 0.91 -0.22 -0.31 0.00 0.00 175.10 175.84 2dtw s LEU 31 N -1.81 4.14 -0.49 1.32 2.96 -0.61 -1.40 118.68 122.79 2dtw s LEU 31 Ca 0.25 -0.26 -0.19 0.00 -0.22 0.00 0.00 54.13 53.72 2dtw s LEU 31 Cb -0.13 -2.90 0.06 0.00 0.50 0.00 0.00 46.19 43.72 2dtw s LEU 31 CO 0.17 -1.14 0.58 -1.61 -1.32 0.00 0.00 176.35 173.02 2dtw s GLU 32 N 3.77 3.11 0.20 1.98 2.02 0.39 -0.67 118.70 129.50 2dtw s GLU 32 Ca 0.31 -0.92 -0.06 0.00 0.02 0.00 0.00 54.97 54.32 2dtw s GLU 32 Cb -0.12 -4.09 0.14 0.00 0.10 0.00 0.00 34.13 30.16 2dtw s GLU 32 CO 0.21 -1.16 1.61 -0.07 0.02 0.00 0.00 175.26 175.86 2dtw h LEU 33 N 9.52 0.85 -9.33 1.80 3.38 -1.55 -1.12 115.31 118.86 2dtw h LEU 33 Ca -0.27 -0.31 -0.61 0.00 0.09 0.00 0.00 57.88 56.77 2dtw h LEU 33 Cb 1.10 -0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.48 2dtw h LEU 33 CO 0.94 1.04 -0.72 0.42 0.09 0.00 0.00 178.44 180.21 2dtw s THR 34 N -4.61 3.10 0.24 0.22 -4.23 -1.26 -3.09 115.64 106.00 2dtw s THR 34 Ca -0.10 -1.82 -0.31 0.00 -1.18 0.00 0.00 61.69 58.28 2dtw s THR 34 Cb 0.13 -2.57 -0.12 0.00 1.34 0.00 0.00 72.50 71.28 2dtw s THR 34 CO 0.85 -0.20 1.68 1.17 -0.54 0.00 0.00 174.62 177.58 2dtw n LYS 35 N -0.20 2.76 -3.65 3.99 4.81 -1.26 -4.77 118.16 119.85 2dtw n LYS 35 Ca -0.09 0.99 -0.23 0.00 -0.87 0.00 0.00 58.31 58.10 2dtw n LYS 35 Cb 0.57 -2.82 -0.17 0.00 0.02 0.00 0.00 35.03 32.62 2dtw n LYS 35 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2dtw s VAL 36 N 0.76 -0.06 -0.19 3.15 0.11 -1.26 -1.98 120.40 120.92 2dtw s VAL 36 Ca 0.71 0.09 -0.03 0.00 -2.93 0.00 0.00 61.98 59.82 2dtw s VAL 36 Cb -0.50 -0.41 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 2dtw s VAL 36 CO 0.38 -0.06 -0.07 0.68 -3.33 0.00 0.00 175.10 172.70 2dtw s VAL 37 N 2.14 3.27 -1.30 2.04 -7.23 0.45 -4.63 120.40 115.14 2dtw s VAL 37 Ca 0.03 -0.54 -0.04 0.00 -1.81 0.00 0.00 61.98 59.62 2dtw s VAL 37 Cb -0.14 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.35 2dtw s VAL 37 CO -0.06 0.46 0.97 0.59 -0.31 0.00 0.00 175.10 176.74 2dtw n ASN 38 N 4.42 -3.19 -0.25 4.85 5.03 -1.26 -1.76 115.26 123.09 2dtw n ASN 38 Ca -0.18 -0.67 -0.03 0.00 0.87 0.00 0.00 54.58 54.57 2dtw n ASN 38 Cb 0.51 -4.70 -0.01 0.00 -1.02 0.00 0.00 39.78 34.56 2dtw n ASN 38 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2dtw n GLY 39 N -1.52 0.55 3.01 7.41 0.00 -1.26 -5.00 105.19 108.38 2dtw n GLY 39 Ca -0.18 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 2dtw n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dtw s VAL 40 N -1.78 1.29 0.33 1.61 1.01 -0.72 -5.12 120.40 117.02 2dtw s VAL 40 Ca 0.00 -0.52 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 2dtw s VAL 40 Cb 0.00 -1.21 -0.09 0.00 0.00 0.00 0.00 36.38 35.08 2dtw s VAL 40 CO 0.00 0.40 1.12 -2.16 0.00 0.00 0.00 175.10 174.46 2dtw s PRO 41 N 1.05 4.42 0.31 2.72 0.04 -1.26 -0.41 135.00 141.86 2dtw s PRO 41 Ca -0.06 1.79 0.09 0.00 0.04 0.00 0.00 61.00 62.86 2dtw s PRO 41 Cb -0.15 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 2dtw s PRO 41 CO -0.02 0.01 0.05 0.95 0.04 0.00 0.00 177.00 178.04 2dtw s THR 42 N -1.30 3.12 0.71 1.26 -4.23 -0.84 -4.79 115.64 109.57 2dtw s THR 42 Ca 0.50 -1.84 -0.06 0.00 -1.18 0.00 0.00 61.69 59.10 2dtw s THR 42 Cb -0.30 -2.89 0.15 0.00 1.34 0.00 0.00 72.50 70.80 2dtw s THR 42 CO 0.39 -0.27 0.97 -2.67 -0.54 0.00 0.00 174.62 172.50 2dtw n TRP 43 N -1.00 -3.43 -3.22 3.99 4.27 -1.26 -4.44 117.44 112.34 2dtw n TRP 43 Ca -0.05 -1.29 -0.23 0.00 -3.89 0.00 0.00 57.50 52.04 2dtw n TRP 43 Cb 0.61 -0.73 0.03 0.00 -1.36 0.00 0.00 31.31 29.86 2dtw n TRP 43 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 2dtw n ASN 44 N -3.26 -5.41 -4.31 -0.67 5.15 0.19 -4.90 115.26 102.05 2dtw n ASN 44 Ca 0.14 -0.37 -0.29 0.00 -0.60 0.00 0.00 54.58 53.46 2dtw n ASN 44 Cb 0.50 -4.37 -0.15 0.00 -0.53 0.00 0.00 39.78 35.23 2dtw n ASN 44 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2dtw s SER 45 N -2.80 2.94 -0.10 1.20 0.15 -1.26 -4.98 113.70 108.85 2dtw s SER 45 Ca 0.38 -0.56 -0.08 0.00 0.70 0.00 0.00 55.95 56.40 2dtw s SER 45 Cb -0.18 -0.27 0.03 0.00 -1.71 0.00 0.00 66.02 63.90 2dtw s SER 45 CO 0.47 0.24 0.26 -0.89 1.20 0.00 0.00 173.24 174.51 2dtw s THR 46 N -0.78 -0.01 0.01 6.45 2.01 -1.26 -0.45 115.64 121.61 2dtw s THR 46 Ca 0.10 0.05 -0.21 0.00 0.31 0.00 0.00 61.69 61.94 2dtw s THR 46 Cb -0.10 -0.37 0.05 0.00 0.01 0.00 0.00 72.50 72.08 2dtw s THR 46 CO 0.02 0.02 0.48 -0.83 -0.69 0.00 0.00 174.62 173.62 2dtw s GLY 47 N 0.56 -0.36 0.07 4.40 0.00 -0.98 -1.39 107.32 109.63 2dtw s GLY 47 Ca -0.03 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.30 2dtw s GLY 47 CO -0.03 0.33 -0.05 0.50 0.00 0.00 0.00 173.10 173.86 2dtw s ARG 48 N -1.96 0.68 -0.10 2.90 0.52 -1.05 -1.57 118.95 118.37 2dtw s ARG 48 Ca -0.08 -1.22 -0.03 0.00 -0.52 0.00 0.00 55.73 53.87 2dtw s ARG 48 Cb -0.02 0.03 0.05 0.00 0.52 0.00 0.00 34.95 35.53 2dtw s ARG 48 CO 0.02 -0.07 0.13 0.00 0.02 0.00 0.00 175.30 175.40 2dtw s ALA 49 N -3.61 0.02 0.05 2.13 0.00 -0.50 -1.50 121.76 118.35 2dtw s ALA 49 Ca 0.07 0.29 0.06 0.00 0.00 0.00 0.00 51.96 52.38 2dtw s ALA 49 Cb 0.06 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 2dtw s ALA 49 CO -0.07 -0.73 -0.13 -0.51 0.00 0.00 0.00 175.76 174.32 2dtw s LEU 50 N 2.24 2.86 0.11 0.00 2.01 -0.73 -0.95 118.68 124.22 2dtw s LEU 50 Ca 0.04 -0.34 -0.31 0.00 0.01 0.00 0.00 54.13 53.52 2dtw s LEU 50 Cb -0.13 -1.67 -0.08 0.00 0.01 0.00 0.00 46.19 44.33 2dtw s LEU 50 CO -0.06 0.24 1.37 -0.47 1.01 0.00 0.00 176.35 178.44 2dtw s TYR 51 N -1.01 3.26 0.33 0.29 5.04 -0.37 -1.49 117.35 123.39 2dtw s TYR 51 Ca 0.17 0.98 0.07 0.00 -2.44 0.00 0.00 57.07 55.85 2dtw s TYR 51 Cb -0.11 -3.66 0.77 0.00 0.35 0.00 0.00 41.96 39.32 2dtw s TYR 51 CO 0.08 -2.29 1.81 0.00 -1.34 0.00 0.00 175.55 173.82 2dtw h ALA 52 N 6.81 1.76 -2.69 3.97 0.00 -0.38 -3.43 119.26 125.31 2dtw h ALA 52 Ca -0.42 0.05 -0.60 0.00 0.00 0.00 0.00 54.91 53.94 2dtw h ALA 52 Cb 1.21 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 2dtw h ALA 52 CO 0.86 -0.08 -0.29 0.15 0.00 0.00 0.00 179.25 179.89 2dtw s LYS 53 N -5.78 3.70 0.44 0.00 1.02 -1.26 -5.01 119.74 112.86 2dtw s LYS 53 Ca -0.11 0.09 -0.21 0.00 0.02 0.00 0.00 55.97 55.76 2dtw s LYS 53 Cb 0.24 -3.01 -0.10 0.00 -0.52 0.00 0.00 37.83 34.44 2dtw s LYS 53 CO 0.80 0.58 1.00 -1.25 -0.92 0.00 0.00 175.35 175.56 2dtw s PRO 54 N -1.90 4.06 0.01 -1.68 0.04 -1.26 -4.81 135.00 129.46 2dtw s PRO 54 Ca 0.32 1.29 0.07 0.00 0.04 0.00 0.00 61.00 62.72 2dtw s PRO 54 Cb -0.14 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 2dtw s PRO 54 CO 0.18 -0.20 -0.22 0.14 0.04 0.00 0.00 177.00 176.94 2dtw s VAL 55 N -1.99 2.48 -0.37 -0.36 -7.23 -0.05 -4.91 120.40 107.97 2dtw s VAL 55 Ca 0.63 -1.14 -0.21 0.00 -1.81 0.00 0.00 61.98 59.45 2dtw s VAL 55 Cb -0.15 -1.97 0.01 0.00 0.56 0.00 0.00 36.38 34.83 2dtw s VAL 55 CO 0.19 0.45 0.65 -1.58 -0.31 0.00 0.00 175.10 174.49 2dtw s GLN 56 N -1.06 3.62 0.11 4.82 0.74 -1.26 -1.15 119.66 125.49 2dtw s GLN 56 Ca 0.12 -0.00 0.23 0.00 0.05 0.00 0.00 55.36 55.76 2dtw s GLN 56 Cb -0.10 -3.83 0.16 0.00 1.10 0.00 0.00 33.01 30.33 2dtw s GLN 56 CO 0.02 -0.79 1.15 1.33 -0.55 0.00 0.00 175.29 176.45 2dtw n VAL 57 N 5.64 0.35 -3.46 1.34 0.24 -0.03 -4.81 118.33 117.60 2dtw n VAL 57 Ca -0.01 -0.33 -0.13 0.00 -2.04 0.00 0.00 64.34 61.83 2dtw n VAL 57 Cb 0.48 -0.07 -0.03 0.00 -1.47 0.00 0.00 33.84 32.76 2dtw n VAL 57 CO 0.00 0.00 0.00 -1.66 -2.14 0.00 0.00 176.83 173.03 2dtw s TRP 58 N -3.23 -0.54 -0.18 6.34 1.48 -1.21 0.77 118.94 122.37 2dtw s TRP 58 Ca 0.04 0.53 -0.00 0.00 -1.06 0.00 0.00 56.10 55.60 2dtw s TRP 58 Cb 0.13 0.51 0.01 0.00 -1.16 0.00 0.00 33.47 32.96 2dtw s TRP 58 CO 0.77 -0.73 -0.15 0.34 -4.06 0.00 0.00 176.95 173.12 2dtw s ASP 59 N -2.25 3.59 0.53 -2.66 -1.08 -0.49 -4.59 116.67 109.72 2dtw s ASP 59 Ca -0.02 -0.52 0.32 0.00 -0.52 0.00 0.00 52.55 51.81 2dtw s ASP 59 Cb -0.01 -1.57 1.24 0.00 -1.46 0.00 0.00 42.92 41.13 2dtw s ASP 59 CO -0.06 0.03 1.94 0.77 0.52 0.00 0.00 175.17 178.37 2dtw h SER 60 N 7.73 0.00 -0.06 -0.34 4.64 -1.93 0.73 113.55 124.32 2dtw h SER 60 Ca -0.40 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.83 2dtw h SER 60 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2dtw h SER 60 CO 0.60 0.04 -0.33 0.74 -0.87 0.00 0.00 176.83 177.01 2dtw h THR 61 N 0.00 1.44 0.00 2.95 2.02 -1.97 -3.35 112.91 114.00 2dtw h THR 61 Ca -0.00 -1.77 -0.21 0.00 0.77 0.00 0.00 66.41 65.19 2dtw h THR 61 Cb 0.57 2.39 -0.04 0.00 -1.74 0.00 0.00 68.15 69.34 2dtw h THR 61 CO 0.00 0.51 -1.84 0.35 0.37 0.00 0.00 175.52 174.91 2dtw n THR 62 N -4.42 1.09 -0.28 3.16 -2.24 -1.20 -4.98 114.28 105.42 2dtw n THR 62 Ca -0.09 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 2dtw n THR 62 Cb 0.51 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 2dtw n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dtw n GLY 63 N 1.50 1.38 3.77 3.38 0.00 0.25 -5.03 105.19 110.45 2dtw n GLY 63 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 2dtw n GLY 63 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dtw s ASN 64 N -3.13 6.40 0.01 1.61 0.02 -1.22 -4.79 114.94 113.84 2dtw s ASN 64 Ca 0.00 2.55 0.04 0.00 -1.02 0.00 0.00 52.86 54.43 2dtw s ASN 64 Cb 0.00 -2.63 -0.03 0.00 0.02 0.00 0.00 41.25 38.61 2dtw s ASN 64 CO 0.00 -0.78 -0.11 -0.69 0.02 0.00 0.00 177.10 175.54 2dtw s VAL 65 N -1.30 3.33 0.45 1.60 1.01 -1.26 -1.39 120.40 122.83 2dtw s VAL 65 Ca 0.57 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 2dtw s VAL 65 Cb -0.36 -2.43 -0.08 0.00 0.00 0.00 0.00 36.38 33.52 2dtw s VAL 65 CO 0.45 0.39 0.89 0.00 0.00 0.00 0.00 175.10 176.83 2dtw s ALA 66 N -0.96 3.17 0.06 5.51 0.00 0.23 -4.74 121.76 125.03 2dtw s ALA 66 Ca 0.16 0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.25 2dtw s ALA 66 Cb -0.11 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 2dtw s ALA 66 CO 0.06 -0.05 -0.01 -1.12 0.00 0.00 0.00 175.76 174.64 2dtw s SER 67 N -2.87 5.00 0.15 0.00 0.01 -1.00 -4.42 113.70 110.56 2dtw s SER 67 Ca 0.57 -0.13 -0.12 0.00 1.31 0.00 0.00 55.95 57.57 2dtw s SER 67 Cb -0.10 -1.22 0.01 0.00 0.21 0.00 0.00 66.02 64.92 2dtw s SER 67 CO 0.27 0.21 0.34 0.72 0.41 0.00 0.00 173.24 175.19 2dtw s PHE 68 N -1.22 0.12 -0.02 2.43 -0.12 -0.90 -0.44 117.98 117.83 2dtw s PHE 68 Ca 0.23 -0.48 -0.01 0.00 -0.05 0.00 0.00 56.93 56.62 2dtw s PHE 68 Cb -0.12 0.10 0.01 0.00 -0.63 0.00 0.00 43.02 42.38 2dtw s PHE 68 CO 0.15 -0.73 0.04 -2.00 -0.05 0.00 0.00 175.22 172.64 2dtw s GLU 69 N -3.89 0.05 -0.05 1.99 2.12 0.25 -0.93 118.70 118.22 2dtw s GLU 69 Ca 0.10 0.07 -0.04 0.00 0.36 0.00 0.00 54.97 55.47 2dtw s GLU 69 Cb 0.02 0.00 0.02 0.00 0.26 0.00 0.00 34.13 34.44 2dtw s GLU 69 CO -0.05 -0.02 0.12 -0.08 -0.54 0.00 0.00 175.26 174.69 2dtw s THR 70 N 0.11 -0.02 -0.00 -1.70 -1.32 0.00 -0.81 115.64 111.90 2dtw s THR 70 Ca -0.01 0.06 0.04 0.00 -1.21 0.00 0.00 61.69 60.58 2dtw s THR 70 Cb -0.01 -0.19 -0.01 0.00 -1.51 0.00 0.00 72.50 70.78 2dtw s THR 70 CO -0.00 0.03 -0.13 -0.13 -2.21 0.00 0.00 174.62 172.17 2dtw s ARG 71 N 0.45 1.06 0.15 7.08 0.52 -0.56 -0.80 118.95 126.84 2dtw s ARG 71 Ca -0.03 -0.52 -0.20 0.00 -0.52 0.00 0.00 55.73 54.46 2dtw s ARG 71 Cb -0.05 -1.03 0.05 0.00 0.52 0.00 0.00 34.95 34.44 2dtw s ARG 71 CO -0.02 0.28 0.51 -0.59 0.02 0.00 0.00 175.30 175.50 2dtw s PHE 72 N -0.39 -0.35 -0.03 -0.53 -0.71 -1.01 -0.51 117.98 114.45 2dtw s PHE 72 Ca 0.05 0.08 0.08 0.00 -1.04 0.00 0.00 56.93 56.10 2dtw s PHE 72 Cb -0.06 0.42 -0.02 0.00 -1.21 0.00 0.00 43.02 42.16 2dtw s PHE 72 CO -0.00 -0.80 -0.26 -1.12 -1.34 0.00 0.00 175.22 171.70 2dtw s SER 73 N -2.79 3.07 0.22 1.98 0.01 -1.02 -1.28 113.70 113.89 2dtw s SER 73 Ca 0.03 -0.47 -0.00 0.00 1.31 0.00 0.00 55.95 56.82 2dtw s SER 73 Cb 0.00 -0.41 -0.04 0.00 0.21 0.00 0.00 66.02 65.78 2dtw s SER 73 CO -0.11 0.31 0.11 0.72 0.41 0.00 0.00 173.24 174.68 2dtw s PHE 74 N -0.56 1.29 -0.08 2.43 -0.12 -0.68 -0.33 117.98 119.93 2dtw s PHE 74 Ca 0.08 -1.29 -0.04 0.00 -0.05 0.00 0.00 56.93 55.63 2dtw s PHE 74 Cb -0.10 -0.69 0.04 0.00 -0.63 0.00 0.00 43.02 41.64 2dtw s PHE 74 CO -0.00 -0.51 0.19 0.45 -0.05 0.00 0.00 175.22 175.29 2dtw s SER 75 N -3.21 -0.18 -0.19 1.98 0.15 0.22 -1.10 113.70 111.36 2dtw s SER 75 Ca 0.37 0.39 0.01 0.00 0.70 0.00 0.00 55.95 57.43 2dtw s SER 75 Cb 0.07 0.30 0.03 0.00 -1.71 0.00 0.00 66.02 64.72 2dtw s SER 75 CO 0.12 -0.13 -0.15 -0.63 1.20 0.00 0.00 173.24 173.65 2dtw s ILE 76 N 0.95 1.89 -0.18 6.45 1.01 -1.26 -1.80 121.20 128.26 2dtw s ILE 76 Ca -0.07 -1.04 -0.06 0.00 0.00 0.00 0.00 60.65 59.49 2dtw s ILE 76 Cb -0.09 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 2dtw s ILE 76 CO -0.05 0.33 0.02 -0.60 0.00 0.00 0.00 174.94 174.63 2dtw s ARG 77 N 1.31 3.81 -0.54 2.79 3.52 -1.26 -0.95 118.95 127.65 2dtw s ARG 77 Ca 0.01 -0.43 -0.01 0.00 -0.13 0.00 0.00 55.73 55.17 2dtw s ARG 77 Cb -0.15 -3.09 0.14 0.00 -1.56 0.00 0.00 34.95 30.29 2dtw s ARG 77 CO -0.10 0.22 0.32 -0.65 -0.81 0.00 0.00 175.30 174.28 2dtw s GLN 78 N 0.47 2.24 0.24 5.12 -0.21 -1.26 -1.64 119.66 124.61 2dtw s GLN 78 Ca 0.00 -2.36 -0.02 0.00 0.02 0.00 0.00 55.36 53.00 2dtw s GLN 78 Cb -0.13 -3.57 0.29 0.00 1.00 0.00 0.00 33.01 30.59 2dtw s GLN 78 CO 0.02 -1.12 1.69 -1.35 -2.12 0.00 0.00 175.29 172.40 2dtw h PRO 79 N 7.16 0.70 -4.04 2.91 0.11 -1.97 -3.40 132.00 133.47 2dtw h PRO 79 Ca -0.05 -0.25 -0.69 0.00 0.11 0.00 0.00 66.00 65.11 2dtw h PRO 79 Cb 0.96 -0.05 -0.35 0.00 0.11 0.00 0.00 31.00 31.67 2dtw h PRO 79 CO 0.69 0.83 -0.47 -0.06 -0.21 0.00 0.00 178.00 178.78 2dtw s PHE 80 N -4.68 3.49 0.28 0.65 0.08 -1.26 -4.97 117.98 111.57 2dtw s PHE 80 Ca -0.09 -2.59 -0.04 0.00 0.12 0.00 0.00 56.93 54.34 2dtw s PHE 80 Cb 0.14 -3.20 0.36 0.00 -0.57 0.00 0.00 43.02 39.75 2dtw s PHE 80 CO 0.82 -0.90 1.95 -1.00 -0.10 0.00 0.00 175.22 175.98 2dtw h PRO 81 N 7.52 1.20 -5.84 0.24 0.13 -1.93 -3.40 132.00 129.93 2dtw h PRO 81 Ca -0.08 -0.07 -0.66 0.00 -0.87 0.00 0.00 66.00 64.32 2dtw h PRO 81 Cb 1.00 -0.27 -0.09 0.00 0.13 0.00 0.00 31.00 31.77 2dtw h PRO 81 CO 0.70 0.79 -0.54 1.03 -0.23 0.00 0.00 178.00 179.76 2dtw s ARG 82 N -6.02 3.24 0.20 0.86 3.00 -1.26 -3.43 118.95 115.55 2dtw s ARG 82 Ca -0.12 -0.32 0.23 0.00 0.00 0.00 0.00 55.73 55.51 2dtw s ARG 82 Cb 0.18 -3.00 0.02 0.00 0.00 0.00 0.00 34.95 32.15 2dtw s ARG 82 CO 0.81 0.71 1.07 -1.00 0.00 0.00 0.00 175.30 176.88 2dtw h PRO 83 N 4.55 0.00 -0.47 3.54 0.13 -1.89 -3.47 132.00 134.40 2dtw h PRO 83 Ca -0.51 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 64.85 2dtw h PRO 83 Cb 1.20 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.05 2dtw h PRO 83 CO 0.60 0.00 0.55 -3.38 -0.23 0.00 0.00 178.00 175.54 2dtw s HIS 84 N -3.35 -0.15 0.83 1.56 -3.43 -1.22 -5.13 115.29 104.39 2dtw s HIS 84 Ca 0.00 0.27 -0.11 0.00 -0.80 0.00 0.00 55.06 54.42 2dtw s HIS 84 Cb 0.10 0.09 0.09 0.00 -1.43 0.00 0.00 32.58 31.43 2dtw s HIS 84 CO 0.78 -0.08 1.09 -2.14 -2.00 0.00 0.00 174.74 172.40 2dtw s PRO 85 N 1.84 1.83 0.02 -0.38 0.02 -1.26 -4.03 135.00 133.04 2dtw s PRO 85 Ca -0.02 0.89 -0.27 0.00 0.02 0.00 0.00 61.00 61.62 2dtw s PRO 85 Cb -0.02 -1.87 0.08 0.00 0.02 0.00 0.00 34.50 32.72 2dtw s PRO 85 CO -0.15 -1.86 0.73 0.00 -0.33 0.00 0.00 177.00 175.39 2dtw s ALA 86 N -2.98 -1.74 -0.01 -1.55 0.00 -1.26 -4.25 121.76 109.97 2dtw s ALA 86 Ca 0.62 0.98 0.02 0.00 0.00 0.00 0.00 51.96 53.58 2dtw s ALA 86 Cb -0.17 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 2dtw s ALA 86 CO 0.56 -0.58 0.03 -0.25 0.00 0.00 0.00 175.76 175.53 2dtw n ASP 87 N 0.17 4.46 0.00 0.00 9.92 0.18 -3.54 116.55 127.74 2dtw n ASP 87 Ca -0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.11 2dtw n ASP 87 Cb 0.61 0.86 0.00 0.00 -0.64 0.00 0.00 41.12 41.95 2dtw n ASP 87 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dtw n GLY 88 N 2.59 0.87 3.10 0.44 0.00 -1.19 -1.24 105.19 109.75 2dtw n GLY 88 Ca -0.02 -2.07 -0.07 0.00 0.00 0.00 0.00 46.02 43.86 2dtw n GLY 88 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2dtw s LEU 89 N 0.00 2.43 0.08 0.99 0.05 -1.02 -2.52 118.68 118.69 2dtw s LEU 89 Ca 0.00 -1.01 -0.03 0.00 0.05 0.00 0.00 54.13 53.13 2dtw s LEU 89 Cb 0.00 0.21 -0.03 0.00 -2.05 0.00 0.00 46.19 44.32 2dtw s LEU 89 CO 0.00 -0.61 0.06 0.68 -0.55 0.00 0.00 176.35 175.93 2dtw s VAL 90 N -3.93 0.17 -0.13 1.48 -7.23 0.02 -0.90 120.40 109.89 2dtw s VAL 90 Ca 0.08 -1.64 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 2dtw s VAL 90 Cb 0.08 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 2dtw s VAL 90 CO -0.09 -0.77 -0.05 0.12 -0.31 0.00 0.00 175.10 174.00 2dtw s PHE 91 N -3.93 2.99 0.12 2.82 5.36 -0.42 -2.30 117.98 122.61 2dtw s PHE 91 Ca 0.10 -0.22 -0.02 0.00 -0.96 0.00 0.00 56.93 55.83 2dtw s PHE 91 Cb 0.07 -1.87 -0.03 0.00 -0.34 0.00 0.00 43.02 40.84 2dtw s PHE 91 CO -0.07 0.07 0.07 -0.59 -1.46 0.00 0.00 175.22 173.24 2dtw s PHE 92 N -0.01 0.70 -0.08 10.12 -0.71 -0.20 -0.78 117.98 127.02 2dtw s PHE 92 Ca 0.00 -1.11 0.01 0.00 -1.04 0.00 0.00 56.93 54.80 2dtw s PHE 92 Cb -0.13 -0.39 0.02 0.00 -1.21 0.00 0.00 43.02 41.31 2dtw s PHE 92 CO 0.03 -0.52 -0.10 0.42 -1.34 0.00 0.00 175.22 173.71 2dtw s ILE 93 N -4.00 1.04 0.25 -4.49 1.01 0.55 -2.19 121.20 113.36 2dtw s ILE 93 Ca 0.19 -0.38 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 2dtw s ILE 93 Cb 0.07 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 2dtw s ILE 93 CO -0.01 0.35 0.37 0.00 0.00 0.00 0.00 174.94 175.64 2dtw s ALA 94 N 1.03 0.41 0.73 9.38 0.00 -0.92 -1.50 121.76 130.88 2dtw s ALA 94 Ca -0.08 -1.27 -0.15 0.00 0.00 0.00 0.00 51.96 50.47 2dtw s ALA 94 Cb -0.15 1.19 0.04 0.00 0.00 0.00 0.00 23.12 24.20 2dtw s ALA 94 CO -0.01 -0.76 1.20 -2.14 0.00 0.00 0.00 175.76 174.06 2dtw s PRO 95 N -3.87 2.17 0.70 0.00 0.02 -1.26 -0.79 135.00 131.98 2dtw s PRO 95 Ca 0.29 1.75 -0.13 0.00 0.02 0.00 0.00 61.00 62.93 2dtw s PRO 95 Cb 0.02 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.72 2dtw s PRO 95 CO 0.12 -1.81 1.10 -1.25 -0.33 0.00 0.00 177.00 174.84 2dtw s PRO 96 N -3.91 2.58 -1.26 5.54 0.04 -1.26 -4.03 135.00 132.70 2dtw s PRO 96 Ca 0.74 1.31 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 2dtw s PRO 96 Cb -0.29 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2dtw s PRO 96 CO 0.45 -1.41 0.88 0.09 0.04 0.00 0.00 177.00 177.05 2dtw n ASN 97 N -2.84 -1.91 -4.97 6.66 5.03 -1.26 -5.02 115.26 110.95 2dtw n ASN 97 Ca 0.10 -0.70 -0.19 0.00 0.87 0.00 0.00 54.58 54.65 2dtw n ASN 97 Cb 0.52 -4.65 -0.01 0.00 -1.02 0.00 0.00 39.78 34.62 2dtw n ASN 97 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2dtw s THR 98 N -3.49 4.15 0.26 3.41 -4.23 -1.26 -5.12 115.64 109.37 2dtw s THR 98 Ca 0.04 -1.03 0.09 0.00 -1.18 0.00 0.00 61.69 59.61 2dtw s THR 98 Cb -0.02 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 2dtw s THR 98 CO 0.77 -0.18 0.05 -1.58 -0.54 0.00 0.00 174.62 173.14 2dtw s GLN 99 N -4.14 2.48 0.22 3.99 2.00 -1.26 -5.07 119.66 117.89 2dtw s GLN 99 Ca 0.43 -1.30 -0.32 0.00 -2.00 0.00 0.00 55.36 52.17 2dtw s GLN 99 Cb -0.09 -2.28 -0.13 0.00 0.80 0.00 0.00 33.01 31.30 2dtw s GLN 99 CO 0.30 0.38 1.52 2.41 -0.50 0.00 0.00 175.29 179.40 2dtw n THR 100 N -0.96 0.61 -0.76 -0.34 -1.04 -1.26 -4.97 114.28 105.55 2dtw n THR 100 Ca -0.07 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 2dtw n THR 100 Cb 0.59 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 2dtw n THR 100 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dtw n GLY 101 N 2.68 0.42 3.76 3.41 0.00 0.41 -4.98 105.19 110.89 2dtw n GLY 101 Ca 0.13 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 2dtw n GLY 101 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dtw s GLU 102 N 1.24 3.18 0.00 1.61 2.56 -0.25 -4.55 118.70 122.49 2dtw s GLU 102 Ca 0.00 1.79 0.00 0.00 0.00 0.00 0.00 54.97 56.76 2dtw s GLU 102 Cb 0.00 -2.03 0.00 0.00 2.00 0.00 0.00 34.13 34.10 2dtw s GLU 102 CO 0.00 -1.03 0.00 0.41 -0.56 0.00 0.00 175.26 174.08 2dtw n GLY 103 N 0.43 1.23 7.00 -1.50 0.00 -1.26 -0.10 105.19 110.99 2dtw n GLY 103 Ca 0.12 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2dtw n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dtw n GLY 104 N 5.00 2.46 0.00 -0.02 0.00 -1.26 -1.37 105.19 110.00 2dtw n GLY 104 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.74 2dtw n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dtw n GLY 105 N 0.00 -0.39 0.64 -0.02 0.00 -1.26 -1.32 105.19 102.84 2dtw n GLY 105 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2dtw n GLY 105 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2dtw n TYR 106 N -1.31 0.00 -0.48 1.61 4.01 -0.47 -4.94 117.16 115.57 2dtw n TYR 106 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2dtw n TYR 106 Cb 0.02 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 2dtw n TYR 106 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2dtw n PHE 107 N 0.56 0.00 -0.54 -0.72 3.72 -0.44 -1.52 117.46 118.52 2dtw n PHE 107 Ca 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 2dtw n PHE 107 Cb 0.44 -1.38 0.00 0.00 -0.94 0.00 0.00 39.48 37.60 2dtw n PHE 107 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dtw n GLY 108 N -0.91 0.72 0.00 1.37 0.00 0.86 -3.22 105.19 104.01 2dtw n GLY 108 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.93 2dtw n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2dtw n ILE 109 N -2.54 0.00 -3.76 -0.61 -5.35 -0.57 -0.45 119.36 106.08 2dtw n ILE 109 Ca 0.00 -0.17 -0.36 0.00 -0.27 0.00 0.00 62.75 61.95 2dtw n ILE 109 Cb 0.00 0.40 -0.10 0.00 -1.74 0.00 0.00 39.64 38.20 2dtw n ILE 109 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2dtw s TYR 110 N -2.40 3.25 -0.36 4.28 5.04 -1.19 -4.69 117.35 121.27 2dtw s TYR 110 Ca -0.02 0.06 0.01 0.00 -2.44 0.00 0.00 57.07 54.68 2dtw s TYR 110 Cb 0.04 -2.23 0.10 0.00 0.35 0.00 0.00 41.96 40.23 2dtw s TYR 110 CO 0.28 -0.01 0.10 1.21 -1.34 0.00 0.00 175.55 175.79 2dtw s ASN 111 N 1.06 4.95 0.29 4.32 3.04 -1.26 -1.09 114.94 126.25 2dtw s ASN 111 Ca 0.06 -2.07 0.02 0.00 0.04 0.00 0.00 52.86 50.91 2dtw s ASN 111 Cb -0.14 -1.71 0.57 0.00 -1.54 0.00 0.00 41.25 38.44 2dtw s ASN 111 CO 0.04 -0.43 1.84 -0.65 -3.04 0.00 0.00 177.10 174.86 2dtw h PRO 112 N 7.79 0.95 0.60 0.43 0.11 -1.99 -0.38 132.00 139.51 2dtw h PRO 112 Ca -0.08 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 2dtw h PRO 112 Cb 1.03 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 31.93 2dtw h PRO 112 CO 0.59 0.63 -0.29 1.37 -0.21 0.00 0.00 178.00 180.09 2dtw h LEU 113 N 0.98 -0.68 -6.81 2.35 -0.00 -2.05 -3.38 115.31 105.71 2dtw h LEU 113 Ca 0.49 -0.02 -0.61 0.00 -0.00 0.00 0.00 57.88 57.74 2dtw h LEU 113 Cb 0.50 0.18 -0.40 0.00 -0.00 0.00 0.00 40.66 40.93 2dtw h LEU 113 CO -0.26 -0.40 -0.75 -0.44 -0.00 0.00 0.00 178.44 176.59 2dtw s SER 114 N -4.56 3.35 0.12 0.17 0.01 -1.09 -5.11 113.70 106.60 2dtw s SER 114 Ca -0.16 -3.29 -0.31 0.00 1.31 0.00 0.00 55.95 53.50 2dtw s SER 114 Cb 0.03 -1.07 -0.08 0.00 0.21 0.00 0.00 66.02 65.10 2dtw s SER 114 CO 0.56 -0.16 1.39 -2.84 0.41 0.00 0.00 173.24 172.60 2dtw s PRO 115 N -0.49 4.32 0.12 12.44 0.02 -0.17 -4.67 135.00 146.57 2dtw s PRO 115 Ca 0.26 2.08 0.09 0.00 0.02 0.00 0.00 61.00 63.45 2dtw s PRO 115 Cb -0.06 -3.24 -0.04 0.00 0.02 0.00 0.00 34.50 31.18 2dtw s PRO 115 CO -0.14 -0.43 -0.15 1.52 -0.33 0.00 0.00 177.00 177.47 2dtw s TYR 116 N 1.02 2.59 0.72 6.54 -0.85 -1.26 -5.04 117.35 121.06 2dtw s TYR 116 Ca 0.64 -0.23 -0.14 0.00 -0.52 0.00 0.00 57.07 56.82 2dtw s TYR 116 Cb -0.37 -1.36 0.03 0.00 0.38 0.00 0.00 41.96 40.64 2dtw s TYR 116 CO 0.31 0.41 1.14 -1.25 -1.52 0.00 0.00 175.55 174.64 2dtw s PRO 117 N -2.23 2.36 -0.15 -3.49 0.04 -1.26 -4.95 135.00 125.33 2dtw s PRO 117 Ca 0.19 1.49 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 2dtw s PRO 117 Cb -0.10 -1.89 0.13 0.00 0.04 0.00 0.00 34.50 32.68 2dtw s PRO 117 CO 0.11 -1.61 1.04 -0.59 0.04 0.00 0.00 177.00 175.99 2dtw s PHE 118 N -2.33 -0.30 -0.07 0.56 -0.12 -1.26 -4.11 117.98 110.35 2dtw s PHE 118 Ca 0.68 0.42 0.05 0.00 -0.05 0.00 0.00 56.93 58.03 2dtw s PHE 118 Cb -0.23 0.48 -0.00 0.00 -0.63 0.00 0.00 43.02 42.64 2dtw s PHE 118 CO 0.46 -0.34 -0.22 0.08 -0.05 0.00 0.00 175.22 175.16 2dtw s VAL 119 N -1.66 1.85 0.04 -2.49 1.01 -0.56 -0.08 120.40 118.49 2dtw s VAL 119 Ca 0.02 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 2dtw s VAL 119 Cb -0.01 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.80 2dtw s VAL 119 CO -0.02 0.51 0.25 0.00 0.00 0.00 0.00 175.10 175.84 2dtw s ALA 120 N 0.16 -0.52 -0.24 5.51 0.00 0.44 -0.33 121.76 126.77 2dtw s ALA 120 Ca -0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 2dtw s ALA 120 Cb -0.15 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.26 2dtw s ALA 120 CO 0.05 -0.37 -0.05 0.08 0.00 0.00 0.00 175.76 175.47 2dtw s VAL 121 N -2.45 3.08 0.13 0.00 1.01 0.04 0.44 120.40 122.64 2dtw s VAL 121 Ca -0.06 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.16 2dtw s VAL 121 Cb -0.01 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2dtw s VAL 121 CO -0.03 0.30 0.12 -1.83 0.00 0.00 0.00 175.10 173.66 2dtw s GLU 122 N 1.39 2.94 -0.57 2.72 -1.05 0.34 -1.30 118.70 123.17 2dtw s GLU 122 Ca 0.03 -0.77 0.04 0.00 -0.15 0.00 0.00 54.97 54.12 2dtw s GLU 122 Cb -0.16 -2.71 0.16 0.00 -0.44 0.00 0.00 34.13 30.98 2dtw s GLU 122 CO -0.04 0.52 0.39 -0.06 0.95 0.00 0.00 175.26 177.02 2dtw s PHE 123 N -1.60 2.69 -0.13 4.83 0.08 -0.07 -0.98 117.98 122.80 2dtw s PHE 123 Ca 0.31 -2.93 -0.29 0.00 0.12 0.00 0.00 56.93 54.13 2dtw s PHE 123 Cb -0.11 -2.16 -0.01 0.00 -0.57 0.00 0.00 43.02 40.17 2dtw s PHE 123 CO 0.23 -0.67 1.05 0.34 -0.10 0.00 0.00 175.22 176.07 2dtw s ASP 124 N -0.68 7.18 -0.00 1.36 -1.08 -0.58 -2.43 116.67 120.43 2dtw s ASP 124 Ca 0.25 1.54 0.11 0.00 -0.52 0.00 0.00 52.55 53.93 2dtw s ASP 124 Cb -0.08 -2.55 -0.12 0.00 -1.46 0.00 0.00 42.92 38.70 2dtw s ASP 124 CO -0.13 -0.52 0.44 0.35 0.52 0.00 0.00 175.17 175.83 2dtw n THR 125 N 4.74 0.00 -5.25 1.71 -2.24 -0.37 -1.87 114.28 111.00 2dtw n THR 125 Ca 0.10 -0.25 -0.32 0.00 -2.27 0.00 0.00 64.05 61.32 2dtw n THR 125 Cb 0.48 0.92 -0.17 0.00 -2.10 0.00 0.00 70.33 69.46 2dtw n THR 125 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2dtw s PHE 126 N -2.10 2.47 -0.68 4.78 5.36 -1.18 -4.72 117.98 121.91 2dtw s PHE 126 Ca 0.03 -0.84 -0.24 0.00 -0.96 0.00 0.00 56.93 54.93 2dtw s PHE 126 Cb 0.08 -1.63 0.06 0.00 -0.34 0.00 0.00 43.02 41.19 2dtw s PHE 126 CO 0.45 -0.29 1.06 0.50 -1.46 0.00 0.00 175.22 175.47 2dtw s ARG 127 N 0.02 3.13 0.91 10.12 3.52 -1.26 -4.98 118.95 130.40 2dtw s ARG 127 Ca -0.09 -0.67 -0.15 0.00 -0.13 0.00 0.00 55.73 54.70 2dtw s ARG 127 Cb -0.15 -4.22 0.16 0.00 -1.56 0.00 0.00 34.95 29.18 2dtw s ARG 127 CO 0.06 -1.91 1.27 -0.80 -0.81 0.00 0.00 175.30 173.10 2dtw s ASN 128 N 3.70 3.60 0.53 -2.12 -0.87 -1.26 -4.90 114.94 113.62 2dtw s ASN 128 Ca 0.26 0.45 0.20 0.00 -1.57 0.00 0.00 52.86 52.20 2dtw s ASN 128 Cb -0.14 -0.66 1.37 0.00 -0.02 0.00 0.00 41.25 41.80 2dtw s ASN 128 CO 0.11 -2.44 2.15 0.71 -2.57 0.00 0.00 177.10 175.06 2dtw h THR 129 N -1.44 0.88 -0.07 1.60 1.35 -2.00 -1.79 112.91 111.45 2dtw h THR 129 Ca -0.45 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2dtw h THR 129 Cb 1.27 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 2dtw h THR 129 CO 0.48 0.03 0.00 -2.67 -0.25 0.00 0.00 175.52 173.11 2dtw n TRP 130 N -4.30 0.07 -3.91 4.73 2.14 -1.26 -4.96 117.44 109.96 2dtw n TRP 130 Ca -0.03 -0.04 -0.28 0.00 2.07 0.00 0.00 57.50 59.22 2dtw n TRP 130 Cb 0.12 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.58 2dtw n TRP 130 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2dtw s ASP 131 N -1.87 6.36 0.75 -0.67 1.01 -0.67 -4.88 116.67 116.69 2dtw s ASP 131 Ca 0.36 0.24 -0.03 0.00 0.71 0.00 0.00 52.55 53.82 2dtw s ASP 131 Cb 0.20 -1.94 0.08 0.00 1.01 0.00 0.00 42.92 42.27 2dtw s ASP 131 CO 0.31 0.10 0.52 -0.81 0.21 0.00 0.00 175.17 175.51 2dtw n PRO 132 N -0.16 -0.11 -0.70 8.23 -0.04 -1.26 -4.77 135.00 136.19 2dtw n PRO 132 Ca -0.06 -1.10 -0.32 0.00 -0.04 0.00 0.00 63.50 61.99 2dtw n PRO 132 Cb 0.53 -0.45 0.16 0.00 -0.04 0.00 0.00 33.50 33.70 2dtw n PRO 132 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2dtw n GLN 133 N -2.04 -0.61 -4.36 0.54 -0.06 -1.26 -4.85 117.38 104.74 2dtw n GLN 133 Ca 0.08 -0.13 -0.21 0.00 -2.00 0.00 0.00 57.00 54.74 2dtw n GLN 133 Cb 0.27 -2.14 -0.11 0.00 -4.06 0.00 0.00 30.24 24.20 2dtw n GLN 133 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 2dtw s ILE 134 N -2.51 1.90 0.68 1.69 -5.25 -1.26 -4.31 121.20 112.13 2dtw s ILE 134 Ca 0.63 -2.12 -0.11 0.00 -0.99 0.00 0.00 60.65 58.06 2dtw s ILE 134 Cb -0.22 -2.01 -0.00 0.00 2.95 0.00 0.00 42.46 43.18 2dtw s ILE 134 CO 0.62 -0.44 1.05 -2.84 -1.79 0.00 0.00 174.94 171.55 2dtw s PRO 135 N -3.26 3.09 0.03 0.37 0.02 -1.26 -4.98 135.00 129.02 2dtw s PRO 135 Ca 0.21 0.92 -0.19 0.00 0.02 0.00 0.00 61.00 61.96 2dtw s PRO 135 Cb -0.04 -2.01 0.04 0.00 0.02 0.00 0.00 34.50 32.51 2dtw s PRO 135 CO 0.08 -0.98 0.42 -3.38 -0.33 0.00 0.00 177.00 172.82 2dtw s HIS 136 N -3.06 -0.29 0.06 6.54 -3.43 -0.78 -2.06 115.29 112.26 2dtw s HIS 136 Ca 0.57 0.33 -0.11 0.00 -0.80 0.00 0.00 55.06 55.05 2dtw s HIS 136 Cb -0.13 0.22 -0.06 0.00 -1.43 0.00 0.00 32.58 31.18 2dtw s HIS 136 CO 0.54 -0.55 0.41 0.42 -2.00 0.00 0.00 174.74 173.57 2dtw s ILE 137 N -2.15 5.07 0.00 -5.38 1.01 0.83 -1.53 121.20 119.05 2dtw s ILE 137 Ca -0.07 0.58 -0.07 0.00 0.00 0.00 0.00 60.65 61.09 2dtw s ILE 137 Cb -0.01 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.79 2dtw s ILE 137 CO -0.00 0.37 0.14 -0.83 0.00 0.00 0.00 174.94 174.62 2dtw s GLY 138 N -1.56 0.04 -0.24 6.18 0.00 -0.15 -1.72 107.32 109.87 2dtw s GLY 138 Ca 0.30 -0.12 -0.07 0.00 0.00 0.00 0.00 44.72 44.84 2dtw s GLY 138 CO 0.17 -0.25 0.05 -0.42 0.00 0.00 0.00 173.10 172.65 2dtw s ILE 139 N -1.33 4.18 -0.11 0.90 1.01 -0.86 -0.51 121.20 124.49 2dtw s ILE 139 Ca -0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 60.65 60.29 2dtw s ILE 139 Cb -0.07 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 2dtw s ILE 139 CO 0.01 0.35 -0.10 -1.81 0.00 0.00 0.00 174.94 173.39 2dtw s ASP 140 N 1.58 4.28 -0.24 3.58 1.01 0.17 -1.32 116.67 125.73 2dtw s ASP 140 Ca 0.06 -0.22 -0.00 0.00 0.71 0.00 0.00 52.55 53.10 2dtw s ASP 140 Cb -0.15 -1.47 0.07 0.00 1.01 0.00 0.00 42.92 42.38 2dtw s ASP 140 CO 0.03 0.22 -0.01 -0.69 0.21 0.00 0.00 175.17 174.93 2dtw s VAL 141 N 0.02 1.27 0.00 -1.27 1.01 -1.26 -0.42 120.40 119.75 2dtw s VAL 141 Ca -0.03 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.81 2dtw s VAL 141 Cb -0.14 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.59 2dtw s VAL 141 CO 0.04 -0.20 0.00 0.59 0.00 0.00 0.00 175.10 175.52 2dtw n ASN 142 N 4.75 -1.96 -3.66 3.32 3.02 0.88 -4.87 115.26 116.74 2dtw n ASN 142 Ca -0.10 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.35 2dtw n ASN 142 Cb 0.44 -2.82 -0.03 0.00 -0.61 0.00 0.00 39.78 36.76 2dtw n ASN 142 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2dtw s SER 143 N -2.00 -0.32 0.00 6.41 1.04 -1.26 -4.89 113.70 112.68 2dtw s SER 143 Ca 0.00 -0.36 0.24 0.00 0.48 0.00 0.00 55.95 56.31 2dtw s SER 143 Cb 0.00 0.58 0.81 0.00 0.10 0.00 0.00 66.02 67.51 2dtw s SER 143 CO 0.00 -1.03 1.60 1.33 0.98 0.00 0.00 173.24 176.12 2dtw n VAL 144 N -0.34 0.12 -3.00 5.02 0.24 -1.26 -4.57 118.33 114.53 2dtw n VAL 144 Ca -0.12 -0.35 -0.44 0.00 -2.04 0.00 0.00 64.34 61.39 2dtw n VAL 144 Cb 0.63 0.56 -0.03 0.00 -1.47 0.00 0.00 33.84 33.53 2dtw n VAL 144 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2dtw s ILE 145 N -1.88 4.87 0.42 1.34 1.01 -1.26 -5.00 121.20 120.70 2dtw s ILE 145 Ca 0.35 -1.63 -0.23 0.00 0.00 0.00 0.00 60.65 59.14 2dtw s ILE 145 Cb 0.20 -4.70 -0.12 0.00 0.01 0.00 0.00 42.46 37.85 2dtw s ILE 145 CO 0.30 -1.40 0.70 -1.20 0.00 0.00 0.00 174.94 173.35 2dtw n SER 146 N 6.15 -0.17 0.06 3.58 7.64 -1.26 -4.81 113.62 124.80 2dtw n SER 146 Ca 0.19 0.95 -0.09 0.00 1.01 0.00 0.00 58.87 60.92 2dtw n SER 146 Cb 0.48 -1.19 -0.13 0.00 -1.01 0.00 0.00 64.21 62.36 2dtw n SER 146 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2dtw h THR 147 N 1.01 1.58 -3.51 0.44 1.35 -1.59 -3.46 112.91 108.73 2dtw h THR 147 Ca -0.42 -3.27 -0.18 0.00 -0.55 0.00 0.00 66.41 62.00 2dtw h THR 147 Cb 1.38 2.82 -0.24 0.00 -1.73 0.00 0.00 68.15 70.38 2dtw h THR 147 CO 0.53 0.91 -0.56 -0.75 -0.25 0.00 0.00 175.52 175.41 2dtw s LYS 148 N -2.69 0.28 0.02 4.72 2.47 -1.25 -5.03 119.74 118.27 2dtw s LYS 148 Ca -0.01 -0.10 -0.06 0.00 -1.56 0.00 0.00 55.97 54.24 2dtw s LYS 148 Cb 0.09 0.12 -0.01 0.00 -1.46 0.00 0.00 37.83 36.58 2dtw s LYS 148 CO 0.83 -0.05 0.11 0.95 0.16 0.00 0.00 175.35 177.35 2dtw s THR 149 N -0.59 0.11 -0.08 3.43 -4.23 -1.26 -2.02 115.64 111.00 2dtw s THR 149 Ca -0.07 -0.93 -0.05 0.00 -1.18 0.00 0.00 61.69 59.46 2dtw s THR 149 Cb -0.04 -0.69 0.04 0.00 1.34 0.00 0.00 72.50 73.14 2dtw s THR 149 CO 0.01 -0.51 0.20 0.54 -0.54 0.00 0.00 174.62 174.31 2dtw s VAL 150 N -2.10 -0.03 0.57 2.29 0.11 -0.70 -4.98 120.40 115.56 2dtw s VAL 150 Ca -0.09 0.12 -0.15 0.00 -2.93 0.00 0.00 61.98 58.92 2dtw s VAL 150 Cb -0.04 -0.31 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 2dtw s VAL 150 CO -0.02 0.05 1.03 -2.16 -3.33 0.00 0.00 175.10 170.66 2dtw s PRO 151 N 0.92 3.56 0.07 1.54 0.04 -1.26 -0.12 135.00 139.75 2dtw s PRO 151 Ca -0.07 1.04 -0.16 0.00 0.04 0.00 0.00 61.00 61.86 2dtw s PRO 151 Cb -0.08 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.41 2dtw s PRO 151 CO -0.05 -0.60 0.36 -0.59 0.04 0.00 0.00 177.00 176.16 2dtw s PHE 152 N -2.64 -0.17 -0.24 0.56 -0.12 -0.88 -4.84 117.98 109.66 2dtw s PHE 152 Ca 0.60 -0.01 -0.07 0.00 -0.05 0.00 0.00 56.93 57.41 2dtw s PHE 152 Cb -0.13 0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.41 2dtw s PHE 152 CO 0.38 -0.59 0.06 0.99 -0.05 0.00 0.00 175.22 176.01 2dtw s THR 153 N -3.01 4.31 0.25 -4.49 2.01 -1.26 -3.98 115.64 109.48 2dtw s THR 153 Ca -0.02 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 2dtw s THR 153 Cb 0.00 -3.00 -0.09 0.00 0.01 0.00 0.00 72.50 69.42 2dtw s THR 153 CO -0.06 0.36 1.14 -0.22 -0.69 0.00 0.00 174.62 175.15 2dtw s LEU 154 N 1.41 4.51 -0.76 4.42 2.96 -1.26 -4.98 118.68 124.99 2dtw s LEU 154 Ca 0.05 2.27 -0.19 0.00 -0.22 0.00 0.00 54.13 56.04 2dtw s LEU 154 Cb -0.15 -3.62 0.12 0.00 0.50 0.00 0.00 46.19 43.04 2dtw s LEU 154 CO 0.03 -0.23 0.93 -0.62 -1.32 0.00 0.00 176.35 175.14 2dtw s ASP 155 N -0.54 6.40 -0.29 3.68 2.15 -1.26 -4.97 116.67 121.84 2dtw s ASP 155 Ca 0.47 -1.68 -0.35 0.00 0.43 0.00 0.00 52.55 51.42 2dtw s ASP 155 Cb -0.32 -2.36 -0.11 0.00 -0.30 0.00 0.00 42.92 39.83 2dtw s ASP 155 CO 0.40 -1.12 2.10 -3.20 -0.17 0.00 0.00 175.17 173.18 2dtw n ASN 156 N 6.50 2.49 0.00 -0.34 2.85 -1.26 -0.29 115.26 125.20 2dtw n ASN 156 Ca 0.06 0.55 0.00 0.00 -0.11 0.00 0.00 54.58 55.08 2dtw n ASN 156 Cb 0.46 -1.30 0.00 0.00 1.24 0.00 0.00 39.78 40.18 2dtw n ASN 156 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dtw n GLY 157 N 5.88 2.43 3.94 8.20 0.00 -0.12 -4.91 105.19 120.61 2dtw n GLY 157 Ca 0.36 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 2dtw n GLY 157 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dtw s GLY 158 N -1.99 1.78 -0.08 -0.02 0.00 0.60 -4.84 107.32 102.77 2dtw s GLY 158 Ca 0.00 -1.25 -0.11 0.00 0.00 0.00 0.00 44.72 43.35 2dtw s GLY 158 CO 0.00 -0.50 0.27 -0.42 0.00 0.00 0.00 173.10 172.45 2dtw s ILE 159 N -3.82 5.28 -0.04 0.90 1.01 -1.26 -4.24 121.20 119.03 2dtw s ILE 159 Ca 0.73 0.52 0.07 0.00 0.00 0.00 0.00 60.65 61.97 2dtw s ILE 159 Cb -0.04 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 2dtw s ILE 159 CO 0.52 0.56 -0.24 0.00 0.00 0.00 0.00 174.94 175.78 2dtw s ALA 160 N -0.75 2.07 -0.16 9.38 0.00 -0.26 -4.15 121.76 127.89 2dtw s ALA 160 Ca 0.19 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 2dtw s ALA 160 Cb -0.14 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 2dtw s ALA 160 CO 0.08 0.45 -0.06 -0.80 0.00 0.00 0.00 175.76 175.44 2dtw s ASN 161 N -0.37 4.57 -0.02 0.00 0.01 0.18 -1.69 114.94 117.62 2dtw s ASN 161 Ca 0.03 -0.21 0.08 0.00 -0.71 0.00 0.00 52.86 52.05 2dtw s ASN 161 Cb -0.11 -1.74 -0.02 0.00 0.41 0.00 0.00 41.25 39.78 2dtw s ASN 161 CO 0.01 0.14 -0.25 -0.69 -1.51 0.00 0.00 177.10 174.80 2dtw s VAL 162 N 0.53 2.00 -0.11 1.60 1.01 -0.40 -0.34 120.40 124.69 2dtw s VAL 162 Ca -0.04 -1.08 -0.00 0.00 0.00 0.00 0.00 61.98 60.85 2dtw s VAL 162 Cb -0.15 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.60 2dtw s VAL 162 CO 0.03 0.57 -0.08 -0.69 0.00 0.00 0.00 175.10 174.92 2dtw s VAL 163 N -0.59 1.07 -0.13 2.92 1.01 -0.48 -2.40 120.40 121.79 2dtw s VAL 163 Ca 0.10 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2dtw s VAL 163 Cb -0.10 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.21 2dtw s VAL 163 CO -0.01 0.37 -0.21 -0.63 0.00 0.00 0.00 175.10 174.62 2dtw s ILE 164 N 1.64 2.17 -0.02 2.22 1.01 0.02 -0.80 121.20 127.44 2dtw s ILE 164 Ca 0.04 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.77 2dtw s ILE 164 Cb -0.13 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 2dtw s ILE 164 CO -0.08 0.55 -0.12 -0.75 0.00 0.00 0.00 174.94 174.53 2dtw s LYS 165 N 0.70 1.09 -0.12 2.79 2.20 -0.29 -0.82 119.74 125.30 2dtw s LYS 165 Ca -0.09 -0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 2dtw s LYS 165 Cb -0.16 -1.03 0.02 0.00 -1.51 0.00 0.00 37.83 35.15 2dtw s LYS 165 CO 0.01 0.24 -0.10 -0.47 -0.36 0.00 0.00 175.35 174.67 2dtw s TYR 166 N -0.18 1.70 -0.35 4.03 5.04 -0.11 -0.93 117.35 126.56 2dtw s TYR 166 Ca 0.03 -0.88 -0.10 0.00 -2.44 0.00 0.00 57.07 53.67 2dtw s TYR 166 Cb -0.06 -1.34 0.01 0.00 0.35 0.00 0.00 41.96 40.92 2dtw s TYR 166 CO -0.00 -0.55 0.18 0.34 -1.34 0.00 0.00 175.55 174.18 2dtw s ASP 167 N 1.57 5.65 0.29 4.32 2.15 -0.69 -2.11 116.67 127.85 2dtw s ASP 167 Ca 0.04 -0.80 -0.02 0.00 0.43 0.00 0.00 52.55 52.20 2dtw s ASP 167 Cb -0.13 -2.01 0.43 0.00 -0.30 0.00 0.00 42.92 40.91 2dtw s ASP 167 CO -0.08 -0.30 1.91 0.00 -0.17 0.00 0.00 175.17 176.53 2dtw h ALA 168 N 8.40 1.34 -0.29 3.66 0.00 -1.88 0.47 119.26 130.96 2dtw h ALA 168 Ca -0.28 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2dtw h ALA 168 Cb 1.12 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2dtw h ALA 168 CO 0.64 0.54 0.04 0.66 0.00 0.00 0.00 179.25 181.14 2dtw h SER 169 N 0.99 0.38 0.00 0.00 4.64 -1.93 -3.04 113.55 114.59 2dtw h SER 169 Ca 0.25 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2dtw h SER 169 Cb 0.03 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2dtw h SER 169 CO -0.04 0.41 -0.92 0.35 -0.87 0.00 0.00 176.83 175.77 2dtw n THR 170 N -4.35 0.00 -1.56 2.95 -2.24 -1.10 -4.98 114.28 103.00 2dtw n THR 170 Ca 0.01 -0.21 -0.15 0.00 -2.27 0.00 0.00 64.05 61.43 2dtw n THR 170 Cb 0.19 0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 69.16 2dtw n THR 170 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2dtw n LYS 171 N -1.50 -1.07 -3.13 -0.78 5.02 0.16 -4.93 118.16 111.93 2dtw n LYS 171 Ca 0.01 0.99 -0.39 0.00 -2.02 0.00 0.00 58.31 56.90 2dtw n LYS 171 Cb 0.26 -5.16 -0.05 0.00 -0.02 0.00 0.00 35.03 30.06 2dtw n LYS 171 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2dtw s ILE 172 N -2.59 5.07 -0.30 -0.18 1.01 -1.11 -1.22 121.20 121.89 2dtw s ILE 172 Ca 0.00 1.25 -0.06 0.00 0.00 0.00 0.00 60.65 61.84 2dtw s ILE 172 Cb 0.00 -3.96 0.02 0.00 0.01 0.00 0.00 42.46 38.53 2dtw s ILE 172 CO 0.00 0.23 0.07 -0.22 0.00 0.00 0.00 174.94 175.01 2dtw s LEU 173 N 1.09 3.86 -0.04 2.97 2.96 -0.14 -1.70 118.68 127.68 2dtw s LEU 173 Ca 0.32 -0.82 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 2dtw s LEU 173 Cb -0.16 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 2dtw s LEU 173 CO 0.14 -0.21 -0.22 -1.38 -1.32 0.00 0.00 176.35 173.36 2dtw s HIS 174 N 1.46 2.07 0.06 5.38 -3.43 -0.11 -1.78 115.29 118.94 2dtw s HIS 174 Ca 0.01 -0.52 0.08 0.00 -0.80 0.00 0.00 55.06 53.83 2dtw s HIS 174 Cb -0.18 -1.35 -0.03 0.00 -1.43 0.00 0.00 32.58 29.59 2dtw s HIS 174 CO 0.02 -0.13 -0.21 0.14 -2.00 0.00 0.00 174.74 172.56 2dtw s VAL 175 N -0.26 1.72 -0.05 -5.38 -7.23 -0.05 -1.13 120.40 108.02 2dtw s VAL 175 Ca 0.01 -1.29 0.04 0.00 -1.81 0.00 0.00 61.98 58.93 2dtw s VAL 175 Cb -0.11 -1.51 -0.00 0.00 0.56 0.00 0.00 36.38 35.32 2dtw s VAL 175 CO 0.01 0.16 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.11 2dtw s VAL 176 N -0.88 1.41 -0.15 1.32 1.01 0.02 -1.99 120.40 121.14 2dtw s VAL 176 Ca 0.08 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2dtw s VAL 176 Cb -0.09 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.08 2dtw s VAL 176 CO 0.02 0.41 -0.19 -0.22 0.00 0.00 0.00 175.10 175.12 2dtw s LEU 177 N 0.14 1.99 -0.04 3.92 2.96 0.23 -1.39 118.68 126.49 2dtw s LEU 177 Ca -0.06 -0.57 0.04 0.00 -0.22 0.00 0.00 54.13 53.32 2dtw s LEU 177 Cb -0.12 -1.36 -0.00 0.00 0.50 0.00 0.00 46.19 45.21 2dtw s LEU 177 CO 0.03 0.03 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.23 2dtw s VAL 178 N 1.07 1.37 -0.57 1.68 1.01 0.53 -0.63 120.40 124.87 2dtw s VAL 178 Ca -0.02 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 2dtw s VAL 178 Cb -0.14 -1.19 0.15 0.00 0.00 0.00 0.00 36.38 35.20 2dtw s VAL 178 CO -0.06 0.40 0.37 -0.36 0.00 0.00 0.00 175.10 175.44 2dtw s PHE 179 N 0.08 3.41 0.44 5.22 0.08 -0.97 0.51 117.98 126.75 2dtw s PHE 179 Ca -0.04 -2.75 0.22 0.00 0.12 0.00 0.00 56.93 54.48 2dtw s PHE 179 Cb -0.12 -3.14 1.20 0.00 -0.57 0.00 0.00 43.02 40.39 2dtw s PHE 179 CO 0.02 -0.85 1.82 -1.00 -0.10 0.00 0.00 175.22 175.11 2dtw h PRO 180 N 7.12 0.29 -0.02 0.24 0.13 -1.85 0.26 132.00 138.17 2dtw h PRO 180 Ca -0.04 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 64.95 2dtw h PRO 180 Cb 0.96 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 2dtw h PRO 180 CO 0.70 0.19 -0.54 0.77 -0.23 0.00 0.00 178.00 178.89 2dtw h SER 181 N 0.30 0.06 0.22 1.44 0.02 -1.94 -3.08 113.55 110.57 2dtw h SER 181 Ca 0.52 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 2dtw h SER 181 Cb 1.50 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.03 2dtw h SER 181 CO -0.18 0.59 -1.27 0.18 -1.14 0.00 0.00 176.83 175.00 2dtw n LEU 182 N -3.90 0.55 -0.00 5.07 4.77 -0.55 -4.96 117.00 117.98 2dtw n LEU 182 Ca -0.02 -0.13 -0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2dtw n LEU 182 Cb 0.56 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2dtw n LEU 182 CO 0.42 0.08 -0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2dtw n GLY 183 N 1.37 0.29 3.80 -0.72 0.00 0.81 -5.00 105.19 105.75 2dtw n GLY 183 Ca 0.01 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2dtw n GLY 183 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dtw s THR 184 N -1.59 4.33 -0.06 2.61 -4.23 -1.20 -4.92 115.64 110.59 2dtw s THR 184 Ca 0.00 1.61 0.02 0.00 -1.18 0.00 0.00 61.69 62.14 2dtw s THR 184 Cb 0.00 -3.84 0.02 0.00 1.34 0.00 0.00 72.50 70.02 2dtw s THR 184 CO 0.00 -0.02 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.34 2dtw s ILE 185 N -1.81 0.90 -0.01 2.99 1.01 -1.26 -2.30 121.20 120.71 2dtw s ILE 185 Ca 0.54 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.91 2dtw s ILE 185 Cb -0.15 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 2dtw s ILE 185 CO 0.20 0.30 -0.19 -0.31 0.00 0.00 0.00 174.94 174.94 2dtw s TYR 186 N 0.77 1.70 0.01 3.97 2.02 0.20 -4.99 117.35 121.04 2dtw s TYR 186 Ca -0.13 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 2dtw s TYR 186 Cb -0.15 -1.10 -0.01 0.00 -0.40 0.00 0.00 41.96 40.30 2dtw s TYR 186 CO 0.02 -0.03 -0.03 -0.08 -1.57 0.00 0.00 175.55 173.87 2dtw s THR 187 N -0.45 0.13 -0.05 -0.71 -1.32 -1.26 -0.60 115.64 111.38 2dtw s THR 187 Ca 0.07 -0.60 -0.21 0.00 -1.21 0.00 0.00 61.69 59.75 2dtw s THR 187 Cb -0.07 -0.22 0.04 0.00 -1.51 0.00 0.00 72.50 70.74 2dtw s THR 187 CO -0.01 -0.30 0.46 -0.51 -2.21 0.00 0.00 174.62 172.06 2dtw s ILE 188 N -0.91 0.03 0.08 5.08 2.07 -0.84 -4.97 121.20 121.73 2dtw s ILE 188 Ca -0.09 -0.25 -0.17 0.00 -1.41 0.00 0.00 60.65 58.73 2dtw s ILE 188 Cb -0.06 -0.76 0.03 0.00 0.13 0.00 0.00 42.46 41.80 2dtw s ILE 188 CO -0.01 -0.13 0.39 0.00 -1.91 0.00 0.00 174.94 173.28 2dtw s ALA 189 N -1.07 -0.93 0.23 1.50 0.00 -1.26 -0.87 121.76 119.36 2dtw s ALA 189 Ca -0.11 0.12 -0.21 0.00 0.00 0.00 0.00 51.96 51.76 2dtw s ALA 189 Cb -0.03 0.48 0.04 0.00 0.00 0.00 0.00 23.12 23.61 2dtw s ALA 189 CO 0.06 -0.53 0.66 0.34 0.00 0.00 0.00 175.76 176.29 2dtw s ASP 190 N -2.34 -0.38 -0.20 0.00 2.15 -0.73 -5.00 116.67 110.17 2dtw s ASP 190 Ca -0.02 -0.37 -0.14 0.00 0.43 0.00 0.00 52.55 52.45 2dtw s ASP 190 Cb 0.00 0.67 -0.04 0.00 -0.30 0.00 0.00 42.92 43.25 2dtw s ASP 190 CO -0.06 -1.18 0.33 -0.63 -0.17 0.00 0.00 175.17 173.46 2dtw s ILE 191 N -3.85 5.25 -0.05 4.11 1.01 -1.26 -0.96 121.20 125.44 2dtw s ILE 191 Ca 0.07 0.57 -0.00 0.00 0.00 0.00 0.00 60.65 61.28 2dtw s ILE 191 Cb -0.04 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.80 2dtw s ILE 191 CO -0.01 0.30 -0.00 -0.69 0.00 0.00 0.00 174.94 174.53 2dtw s VAL 192 N 1.11 0.31 -0.71 2.92 1.01 -0.35 -4.98 120.40 119.72 2dtw s VAL 192 Ca 0.16 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 62.07 2dtw s VAL 192 Cb -0.14 -0.43 0.17 0.00 0.00 0.00 0.00 36.38 35.97 2dtw s VAL 192 CO 0.06 0.21 0.69 -0.62 0.00 0.00 0.00 175.10 175.45 2dtw s ASP 193 N 1.48 6.48 0.25 3.32 -1.08 -1.26 -4.72 116.67 121.14 2dtw s ASP 193 Ca -0.03 -2.18 -0.03 0.00 -0.52 0.00 0.00 52.55 49.79 2dtw s ASP 193 Cb -0.13 -2.24 0.42 0.00 -1.46 0.00 0.00 42.92 39.51 2dtw s ASP 193 CO -0.03 -0.78 1.82 -0.07 0.52 0.00 0.00 175.17 176.63 2dtw h LEU 194 N 8.63 0.72 -2.15 -1.34 3.38 -1.96 -1.54 115.31 121.06 2dtw h LEU 194 Ca -0.08 0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2dtw h LEU 194 Cb 1.07 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2dtw h LEU 194 CO 0.92 0.41 0.07 0.50 0.09 0.00 0.00 178.44 180.43 2dtw h LYS 195 N 0.83 0.00 0.00 1.13 3.64 -1.91 0.17 116.57 120.43 2dtw h LYS 195 Ca 0.41 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.73 2dtw h LYS 195 Cb 0.38 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2dtw h LYS 195 CO -0.25 0.00 -0.69 0.37 -2.27 0.00 0.00 179.45 176.62 2dtw h GLN 196 N 0.00 0.00 0.00 1.90 4.15 -1.70 -3.40 115.11 116.06 2dtw h GLN 196 Ca 0.04 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.33 2dtw h GLN 196 Cb 0.17 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 2dtw h GLN 196 CO -0.00 0.21 -1.48 1.33 -1.93 0.00 0.00 178.83 176.96 2dtw n VAL 197 N -2.99 0.48 -4.26 2.39 0.24 -0.76 -5.06 118.33 108.37 2dtw n VAL 197 Ca -0.00 -0.30 -0.25 0.00 -2.04 0.00 0.00 64.34 61.75 2dtw n VAL 197 Cb 0.66 -0.80 -0.08 0.00 -1.47 0.00 0.00 33.84 32.16 2dtw n VAL 197 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2dtw s LEU 198 N -4.51 3.23 0.83 1.34 1.43 0.52 -4.74 118.68 116.78 2dtw s LEU 198 Ca -0.03 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.41 2dtw s LEU 198 Cb 0.02 -1.82 0.09 0.00 0.03 0.00 0.00 46.19 44.52 2dtw s LEU 198 CO 0.29 0.04 1.15 -2.16 0.23 0.00 0.00 176.35 175.91 2dtw s PRO 199 N -3.34 1.80 0.33 1.29 0.04 -1.26 -4.64 135.00 129.22 2dtw s PRO 199 Ca 0.29 0.23 0.04 0.00 0.04 0.00 0.00 61.00 61.60 2dtw s PRO 199 Cb -0.08 -1.92 0.64 0.00 0.04 0.00 0.00 34.50 33.19 2dtw s PRO 199 CO 0.19 -1.73 1.91 0.93 0.04 0.00 0.00 177.00 178.34 2dtw h GLU 200 N -1.16 0.86 -6.06 4.56 5.08 -1.96 -3.42 114.58 112.48 2dtw h GLU 200 Ca -0.47 -0.05 -0.68 0.00 -1.00 0.00 0.00 59.36 57.15 2dtw h GLU 200 Cb 1.32 -0.19 -0.19 0.00 0.50 0.00 0.00 28.75 30.18 2dtw h GLU 200 CO 0.64 0.57 -0.69 -1.12 -1.00 0.00 0.00 179.01 177.41 2dtw s SER 201 N -6.00 4.66 0.25 1.42 0.01 -1.26 -0.85 113.70 111.92 2dtw s SER 201 Ca -0.11 -0.03 -0.04 0.00 1.31 0.00 0.00 55.95 57.08 2dtw s SER 201 Cb 0.20 -1.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.18 2dtw s SER 201 CO 0.79 0.34 0.30 0.68 0.41 0.00 0.00 173.24 175.76 2dtw s VAL 202 N -0.70 0.00 0.07 3.43 -7.23 -0.30 -4.23 120.40 111.44 2dtw s VAL 202 Ca 0.11 -1.77 0.06 0.00 -1.81 0.00 0.00 61.98 58.56 2dtw s VAL 202 Cb -0.11 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 2dtw s VAL 202 CO 0.02 0.00 -0.09 0.20 -0.31 0.00 0.00 175.10 174.92 2dtw s ASN 203 N -3.15 4.47 0.07 4.85 0.02 0.03 -0.87 114.94 120.37 2dtw s ASN 203 Ca 0.33 -0.31 0.08 0.00 -1.02 0.00 0.00 52.86 51.94 2dtw s ASN 203 Cb 0.03 -0.92 -0.03 0.00 0.02 0.00 0.00 41.25 40.36 2dtw s ASN 203 CO 0.14 0.21 -0.22 0.68 0.02 0.00 0.00 177.10 177.93 2dtw s VAL 204 N -1.15 1.76 -1.73 1.60 -7.23 -1.26 -2.17 120.40 110.22 2dtw s VAL 204 Ca 0.20 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2dtw s VAL 204 Cb -0.11 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.27 2dtw s VAL 204 CO 0.12 0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.62 2dtw n GLY 205 N 1.47 -0.91 3.45 2.32 0.00 -0.93 -1.24 105.19 109.35 2dtw n GLY 205 Ca -0.18 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 2dtw n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dtw s PHE 206 N -3.00 2.11 -0.11 1.61 0.40 -0.13 -1.03 117.98 117.83 2dtw s PHE 206 Ca 0.00 -0.51 -0.22 0.00 -0.60 0.00 0.00 56.93 55.60 2dtw s PHE 206 Cb 0.00 -1.06 0.05 0.00 0.51 0.00 0.00 43.02 42.52 2dtw s PHE 206 CO 0.00 0.51 0.55 0.45 0.70 0.00 0.00 175.22 177.42 2dtw s SER 207 N -3.47 -0.52 0.24 1.36 0.15 -0.97 -1.40 113.70 109.07 2dtw s SER 207 Ca 0.29 0.76 -0.13 0.00 0.70 0.00 0.00 55.95 57.57 2dtw s SER 207 Cb -0.00 0.75 -0.00 0.00 -1.71 0.00 0.00 66.02 65.06 2dtw s SER 207 CO 0.13 -0.40 0.47 0.00 1.20 0.00 0.00 173.24 174.64 2dtw s ALA 208 N -0.58 -0.27 -0.06 5.45 0.00 -0.61 -0.80 121.76 124.88 2dtw s ALA 208 Ca -0.07 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.77 2dtw s ALA 208 Cb -0.03 1.04 0.06 0.00 0.00 0.00 0.00 23.12 24.20 2dtw s ALA 208 CO 0.05 -0.84 0.64 0.00 0.00 0.00 0.00 175.76 175.61 2dtw s ALA 209 N -4.00 -1.66 0.47 0.00 0.00 -1.05 -2.31 121.76 113.22 2dtw s ALA 209 Ca 0.21 1.27 0.07 0.00 0.00 0.00 0.00 51.96 53.51 2dtw s ALA 209 Cb -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.03 2dtw s ALA 209 CO 0.08 -0.35 0.38 0.95 0.00 0.00 0.00 175.76 176.81 2dtw s THR 210 N -1.06 2.19 0.05 0.00 -4.23 0.40 0.49 115.64 113.48 2dtw s THR 210 Ca -0.10 -1.44 -0.34 0.00 -1.18 0.00 0.00 61.69 58.63 2dtw s THR 210 Cb -0.01 -2.62 -0.18 0.00 1.34 0.00 0.00 72.50 71.03 2dtw s THR 210 CO 0.09 0.00 0.86 0.61 -0.54 0.00 0.00 174.62 175.64 2dtw n GLY 211 N -1.62 -0.61 3.75 3.99 0.00 0.16 -4.07 105.19 106.80 2dtw n GLY 211 Ca 0.01 0.61 -0.40 0.00 0.00 0.00 0.00 46.02 46.24 2dtw n GLY 211 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dtw s ASP 212 N -0.24 7.51 0.46 1.61 2.15 -1.26 0.58 116.67 127.48 2dtw s ASP 212 Ca 0.78 2.03 0.20 0.00 0.43 0.00 0.00 52.55 55.99 2dtw s ASP 212 Cb -1.10 -2.61 1.17 0.00 -0.30 0.00 0.00 42.92 40.08 2dtw s ASP 212 CO 0.53 0.05 1.91 -0.65 -0.17 0.00 0.00 175.17 176.84 2dtw h PRO 213 N 3.98 0.28 0.00 4.34 0.11 -1.93 -0.93 132.00 137.84 2dtw h PRO 213 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2dtw h PRO 213 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2dtw h PRO 213 CO 0.67 0.19 0.03 0.66 -0.21 0.00 0.00 178.00 179.34 2dtw h SER 214 N 0.29 0.00 0.92 -2.05 4.64 -1.99 0.24 113.55 115.60 2dtw h SER 214 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2dtw h SER 214 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2dtw h SER 214 CO -0.10 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.47 2dtw n GLY 215 N -1.16 -1.45 2.31 -0.77 0.00 -0.35 -4.90 105.19 98.86 2dtw n GLY 215 Ca -0.02 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 2dtw n GLY 215 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dtw n LYS 216 N -1.46 -1.61 -3.95 1.61 5.02 0.83 -4.95 118.16 113.65 2dtw n LYS 216 Ca 0.08 0.88 -0.31 0.00 -2.02 0.00 0.00 58.31 56.95 2dtw n LYS 216 Cb 0.32 -5.32 -0.15 0.00 -0.02 0.00 0.00 35.03 29.86 2dtw n LYS 216 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2dtw s GLN 217 N -4.04 1.67 0.49 1.97 -1.52 -1.26 -4.98 119.66 111.99 2dtw s GLN 217 Ca 0.00 -1.06 0.28 0.00 -1.95 0.00 0.00 55.36 52.63 2dtw s GLN 217 Cb 0.00 -2.63 1.16 0.00 -0.22 0.00 0.00 33.01 31.32 2dtw s GLN 217 CO 0.00 -0.61 1.92 -0.09 -0.25 0.00 0.00 175.29 176.25 2dtw h ARG 218 N 7.93 0.00 0.00 2.91 2.43 -1.95 -2.73 114.38 122.96 2dtw h ARG 218 Ca -0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2dtw h ARG 218 Cb 1.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2dtw h ARG 218 CO 0.42 0.14 0.00 -0.91 -1.51 0.00 0.00 179.97 178.11 2dtw h ASN 219 N 0.00 0.00 -0.28 -3.80 4.21 -1.93 -3.40 115.58 110.38 2dtw h ASN 219 Ca -0.00 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 56.99 2dtw h ASN 219 Cb 0.61 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.80 2dtw h ASN 219 CO 0.02 0.00 1.81 0.00 -1.29 0.00 0.00 177.43 177.97 2dtw n ALA 220 N -1.87 2.82 -3.56 -0.83 0.00 -1.03 -4.66 120.51 111.38 2dtw n ALA 220 Ca 0.04 -3.27 -0.09 0.00 0.00 0.00 0.00 53.44 50.12 2dtw n ALA 220 Cb 0.36 -3.56 -0.03 0.00 0.00 0.00 0.00 19.45 16.23 2dtw n ALA 220 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2dtw s THR 221 N 7.44 0.00 0.00 0.00 -1.32 -1.25 0.38 115.64 120.89 2dtw s THR 221 Ca 0.61 -1.18 -0.29 0.00 -1.21 0.00 0.00 61.69 59.62 2dtw s THR 221 Cb 0.07 -2.26 0.11 0.00 -1.51 0.00 0.00 72.50 68.91 2dtw s THR 221 CO 0.11 0.00 1.26 -1.83 -2.21 0.00 0.00 174.62 171.95 2dtw s GLU 222 N -3.62 0.48 0.46 7.08 -1.05 -1.23 -4.15 118.70 116.67 2dtw s GLU 222 Ca 0.17 -0.28 -0.03 0.00 -0.15 0.00 0.00 54.97 54.68 2dtw s GLU 222 Cb -0.04 0.16 -0.02 0.00 -0.44 0.00 0.00 34.13 33.79 2dtw s GLU 222 CO 0.09 -0.22 0.72 0.95 0.95 0.00 0.00 175.26 177.75 2dtw s THR 223 N -2.39 4.64 -0.42 1.83 -4.23 -0.65 -4.79 115.64 109.62 2dtw s THR 223 Ca 0.17 -0.12 0.06 0.00 -1.18 0.00 0.00 61.69 60.62 2dtw s THR 223 Cb 0.03 -3.74 0.20 0.00 1.34 0.00 0.00 72.50 70.33 2dtw s THR 223 CO -0.03 -0.64 0.45 1.41 -0.54 0.00 0.00 174.62 175.28 2dtw n HIS 224 N -2.15 -1.13 -3.73 3.99 -0.00 -1.26 -3.98 115.22 106.96 2dtw n HIS 224 Ca -0.00 -3.14 -0.37 0.00 -0.00 0.00 0.00 57.72 54.21 2dtw n HIS 224 Cb 0.56 0.25 -0.07 0.00 -0.00 0.00 0.00 29.99 30.73 2dtw n HIS 224 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2dtw s ASP 225 N -0.33 6.41 -0.22 0.41 1.01 -0.75 -1.62 116.67 121.58 2dtw s ASP 225 Ca 0.33 0.48 -0.06 0.00 0.71 0.00 0.00 52.55 54.02 2dtw s ASP 225 Cb 0.09 -2.12 -0.03 0.00 1.01 0.00 0.00 42.92 41.87 2dtw s ASP 225 CO -0.16 0.29 0.04 -0.63 0.21 0.00 0.00 175.17 174.91 2dtw s ILE 226 N -0.43 4.19 -0.08 0.77 1.01 0.15 -0.61 121.20 126.20 2dtw s ILE 226 Ca 0.15 -0.23 0.10 0.00 0.00 0.00 0.00 60.65 60.67 2dtw s ILE 226 Cb -0.13 -2.92 -0.24 0.00 0.01 0.00 0.00 42.46 39.19 2dtw s ILE 226 CO 0.04 0.40 0.53 0.18 0.00 0.00 0.00 174.94 176.08 2dtw n LEU 227 N 4.45 1.14 -3.56 2.97 4.32 0.55 -1.58 117.00 125.29 2dtw n LEU 227 Ca -0.17 0.33 -0.10 0.00 -0.02 0.00 0.00 56.01 56.05 2dtw n LEU 227 Cb 0.52 -0.04 -0.02 0.00 -1.62 0.00 0.00 43.42 42.25 2dtw n LEU 227 CO 0.32 0.49 0.46 -0.94 -1.22 0.00 0.00 177.39 176.50 2dtw s SER 228 N -6.20 -0.45 -0.29 -1.43 1.04 -1.24 -4.46 113.70 100.67 2dtw s SER 228 Ca -0.09 -0.17 -0.15 0.00 0.48 0.00 0.00 55.95 56.02 2dtw s SER 228 Cb 0.08 0.60 0.12 0.00 0.10 0.00 0.00 66.02 66.92 2dtw s SER 228 CO 0.81 -1.03 0.81 0.86 0.98 0.00 0.00 173.24 175.68 2dtw s TRP 229 N -3.70 -0.91 0.05 5.02 -0.00 0.06 -2.44 118.94 117.01 2dtw s TRP 229 Ca 0.04 1.73 0.06 0.00 -0.00 0.00 0.00 56.10 57.94 2dtw s TRP 229 Cb -0.02 0.55 -0.02 0.00 -0.00 0.00 0.00 33.47 33.97 2dtw s TRP 229 CO -0.07 -0.45 -0.18 -1.54 -0.00 0.00 0.00 176.95 174.71 2dtw s SER 230 N 1.88 2.15 0.00 5.86 1.04 0.33 0.13 113.70 125.09 2dtw s SER 230 Ca -0.08 -0.52 -0.01 0.00 0.48 0.00 0.00 55.95 55.82 2dtw s SER 230 Cb -0.06 -0.16 -0.01 0.00 0.10 0.00 0.00 66.02 65.90 2dtw s SER 230 CO -0.18 0.10 0.02 0.12 0.98 0.00 0.00 173.24 174.27 2dtw s PHE 231 N -0.87 0.09 -0.12 5.02 5.36 0.10 -1.50 117.98 126.06 2dtw s PHE 231 Ca 0.05 -0.18 -0.09 0.00 -0.96 0.00 0.00 56.93 55.74 2dtw s PHE 231 Cb -0.09 -0.07 0.04 0.00 -0.34 0.00 0.00 43.02 42.56 2dtw s PHE 231 CO 0.02 -0.11 0.31 0.45 -1.46 0.00 0.00 175.22 174.43 2dtw s SER 232 N -0.71 -0.34 -0.01 6.13 0.15 0.01 -1.39 113.70 117.55 2dtw s SER 232 Ca -0.08 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.22 2dtw s SER 232 Cb -0.05 0.60 0.01 0.00 -1.71 0.00 0.00 66.02 64.87 2dtw s SER 232 CO -0.00 -0.14 0.00 0.00 1.20 0.00 0.00 173.24 174.30 2dtw s ALA 233 N 0.66 0.05 -0.27 5.45 0.00 -0.85 -0.59 121.76 126.22 2dtw s ALA 233 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2dtw s ALA 233 Cb -0.05 -0.07 0.08 0.00 0.00 0.00 0.00 23.12 23.07 2dtw s ALA 233 CO -0.04 -0.02 0.01 0.45 0.00 0.00 0.00 175.76 176.16 2dtw s SER 234 N 0.25 3.93 -0.53 0.00 0.15 0.41 -1.64 113.70 116.28 2dtw s SER 234 Ca -0.02 -1.41 -0.10 0.00 0.70 0.00 0.00 55.95 55.12 2dtw s SER 234 Cb -0.03 -1.10 0.13 0.00 -1.71 0.00 0.00 66.02 63.31 2dtw s SER 234 CO -0.01 -0.31 0.42 -0.22 1.20 0.00 0.00 173.24 174.31 2dtw s LEU 235 N 1.43 5.84 -0.01 3.45 0.20 -0.12 -2.38 118.68 127.08 2dtw s LEU 235 Ca 0.01 -2.04 -0.30 0.00 0.69 0.00 0.00 54.13 52.49 2dtw s LEU 235 Cb -0.18 -2.05 -0.07 0.00 -0.43 0.00 0.00 46.19 43.46 2dtw s LEU 235 CO -0.12 -0.68 1.78 -2.16 -0.29 0.00 0.00 176.35 174.88 2dtw s PRO 236 N 1.17 4.17 0.00 0.98 0.04 -1.26 -1.36 135.00 138.74 2dtw s PRO 236 Ca 0.07 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.48 2dtw s PRO 236 Cb -0.25 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2dtw s PRO 236 CO -0.01 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.56