#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w3a n GLY 2 N 0.00 0.81 3.45 2.92 0.00 -1.26 -4.94 105.19 106.17 2w3a n GLY 2 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 2w3a n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2w3a s SER 3 N -2.08 -0.55 0.17 1.61 0.15 -1.26 -4.33 113.70 107.41 2w3a s SER 3 Ca 0.27 0.45 0.06 0.00 0.70 0.00 0.00 55.95 57.43 2w3a s SER 3 Cb 0.20 0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.97 2w3a s SER 3 CO 0.35 -0.65 -0.13 -0.76 1.20 0.00 0.00 173.24 173.25 2w3a s LEU 4 N -1.53 2.52 -0.01 3.45 1.43 -1.08 -4.63 118.68 118.83 2w3a s LEU 4 Ca -0.09 -0.98 0.04 0.00 -1.03 0.00 0.00 54.13 52.07 2w3a s LEU 4 Cb -0.01 -0.53 -0.01 0.00 0.03 0.00 0.00 46.19 45.67 2w3a s LEU 4 CO 0.04 -0.23 -0.12 0.20 0.23 0.00 0.00 176.35 176.47 2w3a s ASN 5 N -3.10 1.47 0.05 2.29 0.01 -0.51 -2.27 114.94 112.87 2w3a s ASN 5 Ca 0.18 -0.23 0.05 0.00 -0.71 0.00 0.00 52.86 52.15 2w3a s ASN 5 Cb -0.00 -0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.46 2w3a s ASN 5 CO 0.04 0.15 -0.07 0.00 -1.51 0.00 0.00 177.10 175.71 2w3a s ILE 7 N -1.11 0.31 0.04 0.00 2.07 -0.64 -0.54 121.20 121.33 2w3a s ILE 7 Ca 0.20 -0.02 -0.18 0.00 -1.41 0.00 0.00 60.65 59.24 2w3a s ILE 7 Cb -0.11 -0.36 0.04 0.00 0.13 0.00 0.00 42.46 42.16 2w3a s ILE 7 CO 0.11 0.16 0.41 0.54 -1.91 0.00 0.00 174.94 174.25 2w3a s VAL 8 N 0.80 0.05 -0.06 4.00 0.11 -0.57 -4.54 120.40 120.19 2w3a s VAL 8 Ca -0.09 -0.44 0.05 0.00 -2.93 0.00 0.00 61.98 58.56 2w3a s VAL 8 Cb -0.12 -0.92 -0.02 0.00 -1.53 0.00 0.00 36.38 33.79 2w3a s VAL 8 CO -0.01 -0.24 -0.21 0.00 -3.33 0.00 0.00 175.10 171.31 2w3a s ALA 9 N -2.33 2.36 -0.02 1.54 0.00 -1.26 -0.93 121.76 121.12 2w3a s ALA 9 Ca -0.06 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 2w3a s ALA 9 Cb -0.01 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.31 2w3a s ALA 9 CO -0.01 0.44 0.05 0.08 0.00 0.00 0.00 175.76 176.31 2w3a s VAL 10 N -0.28 -0.03 0.95 0.00 1.01 0.00 -4.63 120.40 117.42 2w3a s VAL 10 Ca 0.01 0.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.98 2w3a s VAL 10 Cb -0.13 -0.09 0.16 0.00 0.00 0.00 0.00 36.38 36.32 2w3a s VAL 10 CO 0.03 0.05 1.14 -0.94 0.00 0.00 0.00 175.10 175.38 2w3a s SER 11 N 0.65 3.17 0.41 3.32 1.04 -0.40 -1.14 113.70 120.74 2w3a s SER 11 Ca -0.05 0.90 0.09 0.00 0.48 0.00 0.00 55.95 57.37 2w3a s SER 11 Cb -0.07 -1.41 0.89 0.00 0.10 0.00 0.00 66.02 65.52 2w3a s SER 11 CO -0.02 -2.76 2.02 -0.61 0.98 0.00 0.00 173.24 172.85 2w3a h GLN 12 N -1.64 0.53 -0.83 4.02 4.15 -0.92 -0.23 115.11 120.18 2w3a h GLN 12 Ca -0.50 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 58.86 2w3a h GLN 12 Cb 1.32 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 2w3a h GLN 12 CO 0.57 0.35 0.04 0.27 -1.93 0.00 0.00 178.83 178.13 2w3a n ASN 13 N -4.47 3.22 -0.85 -0.69 6.94 -1.26 -4.90 115.26 113.24 2w3a n ASN 13 Ca 0.06 -2.47 -0.11 0.00 -0.02 0.00 0.00 54.58 52.04 2w3a n ASN 13 Cb 0.18 -0.60 -0.05 0.00 -2.36 0.00 0.00 39.78 36.96 2w3a n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2w3a n MET 14 N 0.22 -0.98 -2.67 -3.83 2.81 -0.10 -4.99 117.12 107.59 2w3a n MET 14 Ca 0.15 0.86 -0.40 0.00 -1.81 0.00 0.00 57.70 56.50 2w3a n MET 14 Cb 0.73 -4.91 -0.06 0.00 -0.71 0.00 0.00 33.22 28.28 2w3a n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2w3a s GLY 15 N -2.72 3.06 0.00 3.03 0.00 -1.26 -0.80 107.32 108.63 2w3a s GLY 15 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.41 2w3a s GLY 15 CO 0.00 1.25 0.00 0.29 0.00 0.00 0.00 173.10 174.64 2w3a n ILE 16 N 1.25 0.00 -3.54 0.90 -5.35 -0.00 -1.28 119.36 111.34 2w3a n ILE 16 Ca -0.01 -0.29 -0.13 0.00 -0.27 0.00 0.00 62.75 62.05 2w3a n ILE 16 Cb 0.47 0.82 -0.04 0.00 -1.74 0.00 0.00 39.64 39.15 2w3a n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2w3a s GLY 17 N -1.06 -0.47 -0.23 3.28 0.00 -1.14 -4.50 107.32 103.21 2w3a s GLY 17 Ca 0.00 0.55 -0.07 0.00 0.00 0.00 0.00 44.72 45.20 2w3a s GLY 17 CO 0.00 0.24 0.47 1.25 0.00 0.00 0.00 173.10 175.06 2w3a s LYS 18 N -2.84 0.39 -1.49 2.90 2.47 0.50 -0.56 119.74 121.10 2w3a s LYS 18 Ca -0.03 1.08 -0.11 0.00 -1.56 0.00 0.00 55.97 55.35 2w3a s LYS 18 Cb -0.00 0.39 0.07 0.00 -1.46 0.00 0.00 37.83 36.83 2w3a s LYS 18 CO -0.05 -0.29 0.93 0.09 0.16 0.00 0.00 175.35 176.20 2w3a n ASN 19 N 5.40 -4.17 -0.25 1.43 3.02 -1.26 -1.63 115.26 117.81 2w3a n ASN 19 Ca -0.09 -0.79 -0.03 0.00 -0.03 0.00 0.00 54.58 53.65 2w3a n ASN 19 Cb 0.49 -3.91 -0.01 0.00 -0.61 0.00 0.00 39.78 35.74 2w3a n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2w3a n GLY 20 N -1.69 0.61 3.23 7.41 0.00 -1.26 -4.99 105.19 108.50 2w3a n GLY 20 Ca -0.02 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 2w3a n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2w3a n ASP 21 N 0.31 -0.81 -4.77 1.61 -0.08 -0.64 -4.77 116.55 107.39 2w3a n ASP 21 Ca -0.03 -3.15 -0.38 0.00 -1.51 0.00 0.00 54.79 49.72 2w3a n ASP 21 Cb 0.18 1.81 -0.03 0.00 2.34 0.00 0.00 41.12 45.43 2w3a n ASP 21 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2w3a s LEU 22 N 0.00 4.18 0.42 -2.67 1.43 -1.26 -0.37 118.68 120.41 2w3a s LEU 22 Ca 0.38 2.23 0.29 0.00 -1.03 0.00 0.00 54.13 56.01 2w3a s LEU 22 Cb 0.01 -4.08 1.13 0.00 0.03 0.00 0.00 46.19 43.29 2w3a s LEU 22 CO 0.27 -0.61 1.85 -0.65 0.23 0.00 0.00 176.35 177.44 2w3a h PRO 23 N 2.60 0.00 -6.14 1.29 0.11 -1.85 -3.42 132.00 124.59 2w3a h PRO 23 Ca -0.48 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.08 2w3a h PRO 23 Cb 1.23 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.26 2w3a h PRO 23 CO 0.62 0.00 -0.57 1.67 -0.21 0.00 0.00 178.00 179.51 2w3a s TRP 24 N -3.48 2.74 0.91 0.65 -2.14 -1.26 -4.78 118.94 111.59 2w3a s TRP 24 Ca 0.03 -0.30 -0.11 0.00 2.66 0.00 0.00 56.10 58.38 2w3a s TRP 24 Cb 0.09 -1.48 0.14 0.00 -3.10 0.00 0.00 33.47 29.12 2w3a s TRP 24 CO 0.50 0.44 1.12 -2.14 -2.66 0.00 0.00 176.95 174.21 2w3a s PRO 25 N -3.79 1.08 0.24 3.25 0.02 -1.26 -4.93 135.00 129.60 2w3a s PRO 25 Ca 0.35 1.34 -0.31 0.00 0.02 0.00 0.00 61.00 62.39 2w3a s PRO 25 Cb -0.04 -1.75 -0.12 0.00 0.02 0.00 0.00 34.50 32.61 2w3a s PRO 25 CO 0.22 -2.52 1.66 -2.30 -0.33 0.00 0.00 177.00 173.74 2w3a n PRO 26 N -4.14 2.70 -3.90 5.54 -0.02 -1.26 -4.98 135.00 128.94 2w3a n PRO 26 Ca 0.10 0.97 -0.34 0.00 -2.02 0.00 0.00 63.50 62.21 2w3a n PRO 26 Cb 0.53 -2.78 -0.13 0.00 -0.02 0.00 0.00 33.50 31.09 2w3a n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2w3a s LEU 27 N 0.54 4.78 0.14 2.45 1.43 -1.26 -4.98 118.68 121.77 2w3a s LEU 27 Ca 0.71 -1.92 -0.18 0.00 -1.03 0.00 0.00 54.13 51.71 2w3a s LEU 27 Cb -0.52 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 2w3a s LEU 27 CO 0.39 -0.42 1.77 -0.09 0.23 0.00 0.00 176.35 178.23 2w3a h ARG 28 N 7.88 0.30 -0.01 1.70 2.43 -1.98 -1.09 114.38 123.62 2w3a h ARG 28 Ca -0.12 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 58.90 2w3a h ARG 28 Cb 1.04 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 2w3a h ARG 28 CO 0.60 0.20 -0.65 -0.91 -1.51 0.00 0.00 179.97 177.70 2w3a h ASN 29 N 0.31 0.03 -0.47 -3.80 2.35 -1.99 -0.63 115.58 111.38 2w3a h ASN 29 Ca 0.11 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 2w3a h ASN 29 Cb 0.02 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 2w3a h ASN 29 CO -0.06 0.67 0.15 -0.08 -1.65 0.00 0.00 177.43 176.45 2w3a h GLU 30 N 0.02 0.73 -0.24 0.81 4.22 -1.90 -1.61 114.58 116.60 2w3a h GLU 30 Ca -0.01 -0.16 0.03 0.00 0.08 0.00 0.00 59.36 59.31 2w3a h GLU 30 Cb 1.15 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 2w3a h GLU 30 CO 0.09 0.69 0.05 0.74 -2.18 0.00 0.00 179.01 178.40 2w3a h PHE 31 N 0.62 0.09 -0.49 0.92 -1.00 -0.97 -2.03 116.94 114.08 2w3a h PHE 31 Ca 0.15 0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.99 2w3a h PHE 31 Cb 0.27 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.80 2w3a h PHE 31 CO 0.01 0.03 0.33 0.00 -1.61 0.00 0.00 178.31 177.06 2w3a h ARG 32 N 0.14 0.47 -0.11 1.51 3.08 -0.86 -0.25 114.38 118.37 2w3a h ARG 32 Ca 0.11 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2w3a h ARG 32 Cb 0.11 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2w3a h ARG 32 CO -0.14 0.31 0.00 -0.92 -1.07 0.00 0.00 179.97 178.15 2w3a h TYR 33 N 0.48 0.21 -0.62 3.04 3.20 -0.79 0.20 116.97 122.70 2w3a h TYR 33 Ca 0.20 -0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.15 2w3a h TYR 33 Cb 0.21 -0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.34 2w3a h TYR 33 CO -0.00 0.44 0.16 0.35 -1.64 0.00 0.00 178.16 177.47 2w3a h PHE 34 N -0.07 0.26 -0.24 -3.82 3.04 -0.72 -0.49 116.94 114.90 2w3a h PHE 34 Ca 0.03 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 2w3a h PHE 34 Cb 0.35 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.83 2w3a h PHE 34 CO 0.03 -0.00 0.09 0.37 -2.02 0.00 0.00 178.31 176.78 2w3a h GLN 35 N 0.30 0.37 -0.13 1.11 4.15 -0.87 -1.67 115.11 118.37 2w3a h GLN 35 Ca 0.32 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.67 2w3a h GLN 35 Cb 0.47 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 2w3a h GLN 35 CO -0.39 0.43 0.08 -0.09 -1.93 0.00 0.00 178.83 176.93 2w3a h ARG 36 N 0.24 0.17 0.06 1.69 2.43 -0.64 -1.29 114.38 117.04 2w3a h ARG 36 Ca 0.08 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2w3a h ARG 36 Cb 0.20 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2w3a h ARG 36 CO -0.00 0.12 -0.03 0.52 -1.51 0.00 0.00 179.97 179.07 2w3a h MET 37 N 0.16 -0.08 0.00 0.20 2.86 -1.03 -1.91 114.93 115.13 2w3a h MET 37 Ca 0.05 0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 2w3a h MET 37 Cb -0.01 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2w3a h MET 37 CO -0.01 0.09 -0.35 1.79 1.06 0.00 0.00 176.91 179.49 2w3a h THR 38 N -0.24 0.79 0.00 2.22 1.35 -1.29 -3.31 112.91 112.44 2w3a h THR 38 Ca -0.01 -1.52 -0.33 0.00 -0.55 0.00 0.00 66.41 64.01 2w3a h THR 38 Cb 0.21 1.96 -0.06 0.00 -1.73 0.00 0.00 68.15 68.53 2w3a h THR 38 CO 0.01 0.35 -2.01 0.41 -0.25 0.00 0.00 175.52 174.03 2w3a n THR 39 N -3.45 1.52 -2.26 6.82 -1.04 -0.49 -4.69 114.28 110.69 2w3a n THR 39 Ca 0.00 -0.82 -0.43 0.00 -2.04 0.00 0.00 64.05 60.77 2w3a n THR 39 Cb 0.52 -0.81 -0.02 0.00 -1.82 0.00 0.00 70.33 68.20 2w3a n THR 39 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2w3a s THR 40 N -2.55 3.92 0.19 12.58 2.01 -0.72 -4.62 115.64 126.44 2w3a s THR 40 Ca -0.07 1.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.96 2w3a s THR 40 Cb 0.07 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2w3a s THR 40 CO 0.82 -0.36 0.38 -0.55 -0.69 0.00 0.00 174.62 174.23 2w3a s SER 41 N 3.45 6.39 -0.03 3.53 0.15 -1.26 -4.94 113.70 120.99 2w3a s SER 41 Ca 0.64 0.41 0.15 0.00 0.70 0.00 0.00 55.95 57.85 2w3a s SER 41 Cb -0.21 -2.01 -0.21 0.00 -1.71 0.00 0.00 66.02 61.88 2w3a s SER 41 CO 0.26 -0.03 0.61 -1.54 1.20 0.00 0.00 173.24 173.74 2w3a n SER 42 N -0.57 0.70 -4.56 5.45 3.41 -1.26 -4.85 113.62 111.94 2w3a n SER 42 Ca -0.05 0.32 -0.41 0.00 -0.26 0.00 0.00 58.87 58.48 2w3a n SER 42 Cb 0.54 0.25 -0.09 0.00 -0.26 0.00 0.00 64.21 64.65 2w3a n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2w3a s VAL 43 N -2.72 5.10 0.21 -3.33 1.01 -1.26 -5.03 120.40 114.38 2w3a s VAL 43 Ca -0.05 0.27 -0.32 0.00 0.00 0.00 0.00 61.98 61.88 2w3a s VAL 43 Cb 0.08 -3.87 -0.13 0.00 0.00 0.00 0.00 36.38 32.47 2w3a s VAL 43 CO 0.82 -0.11 1.59 -0.62 0.00 0.00 0.00 175.10 176.79 2w3a n GLU 44 N 5.53 2.39 -0.54 2.72 4.71 -1.26 -2.14 120.64 132.05 2w3a n GLU 44 Ca -0.07 0.86 0.00 0.00 -0.01 0.00 0.00 57.16 57.94 2w3a n GLU 44 Cb 0.49 -2.63 0.00 0.00 -1.01 0.00 0.00 31.44 28.29 2w3a n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2w3a n GLY 45 N 3.15 0.76 3.32 0.62 0.00 -1.26 -5.05 105.19 106.73 2w3a n GLY 45 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 2w3a n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w3a s LYS 46 N -0.46 1.24 0.19 1.61 1.02 -0.91 -4.86 119.74 117.58 2w3a s LYS 46 Ca 0.00 -1.36 0.09 0.00 0.02 0.00 0.00 55.97 54.72 2w3a s LYS 46 Cb 0.00 -1.33 -0.04 0.00 -0.52 0.00 0.00 37.83 35.94 2w3a s LYS 46 CO 0.00 0.28 -0.08 -0.65 -0.92 0.00 0.00 175.35 173.98 2w3a s GLN 47 N -2.65 2.12 0.51 1.68 -0.21 -0.47 -4.82 119.66 115.82 2w3a s GLN 47 Ca 0.14 -1.29 -0.19 0.00 0.02 0.00 0.00 55.36 54.05 2w3a s GLN 47 Cb -0.06 -2.17 -0.07 0.00 1.00 0.00 0.00 33.01 31.70 2w3a s GLN 47 CO 0.06 0.42 1.02 -0.80 -2.12 0.00 0.00 175.29 173.88 2w3a s ASN 48 N -2.97 6.34 -0.19 5.90 0.01 -1.26 -1.06 114.94 121.70 2w3a s ASN 48 Ca 0.26 1.80 -0.09 0.00 -0.71 0.00 0.00 52.86 54.12 2w3a s ASN 48 Cb -0.08 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 2w3a s ASN 48 CO 0.16 -0.78 0.10 -0.22 -1.51 0.00 0.00 177.10 174.85 2w3a s LEU 49 N -3.80 4.03 -0.16 0.60 2.96 -0.07 -1.07 118.68 121.17 2w3a s LEU 49 Ca 0.64 0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.68 2w3a s LEU 49 Cb -0.14 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 2w3a s LEU 49 CO 0.25 0.18 -0.03 0.68 -1.32 0.00 0.00 176.35 176.11 2w3a s VAL 50 N 0.34 3.94 -0.11 1.68 -7.23 0.13 -0.65 120.40 118.52 2w3a s VAL 50 Ca 0.06 -0.34 0.01 0.00 -1.81 0.00 0.00 61.98 59.90 2w3a s VAL 50 Cb -0.12 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 2w3a s VAL 50 CO -0.01 0.49 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.49 2w3a s ILE 51 N 0.40 2.93 0.07 -0.62 1.01 -0.16 -1.01 121.20 123.82 2w3a s ILE 51 Ca -0.03 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.77 2w3a s ILE 51 Cb -0.14 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 40.15 2w3a s ILE 51 CO 0.03 0.54 0.28 0.00 0.00 0.00 0.00 174.94 175.79 2w3a s MET 52 N 0.08 0.86 0.95 2.79 0.23 -0.76 -1.36 119.30 122.09 2w3a s MET 52 Ca -0.06 -0.68 -0.16 0.00 -1.03 0.00 0.00 55.69 53.76 2w3a s MET 52 Cb -0.15 0.37 0.19 0.00 -1.53 0.00 0.00 34.83 33.71 2w3a s MET 52 CO 0.05 -0.29 1.30 0.20 -2.03 0.00 0.00 175.02 174.25 2w3a s GLY 53 N -2.42 1.76 0.12 3.16 0.00 -0.10 -0.50 107.32 109.34 2w3a s GLY 53 Ca -0.01 -1.14 -0.14 0.00 0.00 0.00 0.00 44.72 43.44 2w3a s GLY 53 CO -0.07 -0.39 1.50 1.70 0.00 0.00 0.00 173.10 175.84 2w3a h LYS 54 N -1.61 0.78 -0.38 2.90 3.64 -1.91 -2.12 116.57 117.87 2w3a h LYS 54 Ca -0.45 -0.34 -0.12 0.00 -1.27 0.00 0.00 60.65 58.48 2w3a h LYS 54 Cb 1.25 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2w3a h LYS 54 CO 0.41 0.96 -0.26 0.87 -2.27 0.00 0.00 179.45 179.16 2w3a h LYS 55 N 0.58 0.78 -0.49 1.90 1.57 -1.95 -2.21 116.57 116.75 2w3a h LYS 55 Ca 0.09 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 2w3a h LYS 55 Cb 0.71 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 2w3a h LYS 55 CO 0.05 0.95 0.27 1.15 -0.57 0.00 0.00 179.45 181.30 2w3a h THR 56 N 0.67 1.17 0.03 -0.16 2.02 -1.86 -0.86 112.91 113.93 2w3a h THR 56 Ca 0.09 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 66.85 2w3a h THR 56 Cb 0.78 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 2w3a h THR 56 CO 0.06 0.18 -0.30 -0.25 0.37 0.00 0.00 175.52 175.59 2w3a h TRP 57 N 0.65 -0.82 0.00 3.16 2.91 -1.17 -2.33 115.95 118.36 2w3a h TRP 57 Ca 0.17 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.22 2w3a h TRP 57 Cb 0.05 0.36 0.00 0.00 -0.51 0.00 0.00 29.16 29.06 2w3a h TRP 57 CO -0.02 -0.40 0.00 1.19 -1.03 0.00 0.00 178.44 178.19 2w3a n PHE 58 N -5.40 0.33 0.79 2.65 3.72 -0.85 -1.73 117.46 116.97 2w3a n PHE 58 Ca -0.05 0.12 0.13 0.00 -0.05 0.00 0.00 57.45 57.60 2w3a n PHE 58 Cb 0.32 -0.70 0.51 0.00 -0.94 0.00 0.00 39.48 38.67 2w3a n PHE 58 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2w3a n SER 59 N -1.80 0.34 -4.70 4.37 3.41 -0.34 -4.78 113.62 110.12 2w3a n SER 59 Ca 0.04 0.54 -0.40 0.00 -0.26 0.00 0.00 58.87 58.78 2w3a n SER 59 Cb 0.22 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.50 2w3a n SER 59 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2w3a s ILE 60 N -3.06 4.99 0.35 -1.33 1.01 -0.70 -4.94 121.20 117.52 2w3a s ILE 60 Ca 0.12 1.56 -0.28 0.00 0.00 0.00 0.00 60.65 62.04 2w3a s ILE 60 Cb 0.15 -4.09 -0.12 0.00 0.01 0.00 0.00 42.46 38.41 2w3a s ILE 60 CO 0.53 0.19 1.43 -2.65 0.00 0.00 0.00 174.94 174.44 2w3a n PRO 61 N 4.13 2.45 -0.30 2.79 -0.02 -1.26 -4.82 135.00 137.97 2w3a n PRO 61 Ca 0.01 0.86 0.17 0.00 -2.02 0.00 0.00 63.50 62.53 2w3a n PRO 61 Cb 0.51 -2.54 0.44 0.00 -0.02 0.00 0.00 33.50 31.88 2w3a n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2w3a h GLU 62 N 3.10 0.53 0.00 -0.52 4.81 -1.94 -0.95 114.58 119.60 2w3a h GLU 62 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2w3a h GLU 62 Cb 1.26 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2w3a h GLU 62 CO 0.66 0.35 0.00 0.36 -0.73 0.00 0.00 179.01 179.65 2w3a n LYS 63 N -4.62 0.14 -0.09 1.92 2.85 -1.26 -2.28 118.16 114.82 2w3a n LYS 63 Ca 0.22 0.39 0.05 0.00 -1.05 0.00 0.00 58.31 57.91 2w3a n LYS 63 Cb 0.68 -1.77 0.09 0.00 -0.65 0.00 0.00 35.03 33.39 2w3a n LYS 63 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2w3a n ASN 64 N -2.03 2.36 -4.79 -5.58 5.03 -0.37 -4.96 115.26 104.92 2w3a n ASN 64 Ca 0.02 -1.74 -0.37 0.00 0.87 0.00 0.00 54.58 53.36 2w3a n ASN 64 Cb 0.20 -0.11 -0.06 0.00 -1.02 0.00 0.00 39.78 38.79 2w3a n ASN 64 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2w3a s ARG 65 N -0.91 4.02 0.72 3.52 0.52 -0.96 -3.26 118.95 122.60 2w3a s ARG 65 Ca 0.16 0.24 -0.11 0.00 -0.52 0.00 0.00 55.73 55.50 2w3a s ARG 65 Cb 0.09 -3.31 0.03 0.00 0.52 0.00 0.00 34.95 32.28 2w3a s ARG 65 CO 0.13 0.49 1.07 -1.25 0.02 0.00 0.00 175.30 175.75 2w3a s PRO 66 N -0.34 2.69 0.00 3.54 0.04 -1.26 -4.99 135.00 134.68 2w3a s PRO 66 Ca 0.20 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.85 2w3a s PRO 66 Cb -0.15 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 2w3a s PRO 66 CO 0.09 -1.26 1.99 1.28 0.04 0.00 0.00 177.00 179.13 2w3a n LEU 67 N -3.23 4.03 -4.77 -3.56 4.77 -1.20 -4.91 117.00 108.12 2w3a n LEU 67 Ca 0.08 0.85 -0.40 0.00 -0.03 0.00 0.00 56.01 56.51 2w3a n LEU 67 Cb 0.54 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 2w3a n LEU 67 CO 0.56 0.11 1.03 -1.59 -1.33 0.00 0.00 177.39 176.17 2w3a s LYS 68 N 4.59 3.89 0.00 3.23 -2.85 -1.26 -3.14 119.74 124.19 2w3a s LYS 68 Ca 0.90 2.33 0.00 0.00 -1.00 0.00 0.00 55.97 58.20 2w3a s LYS 68 Cb -0.45 -2.76 0.00 0.00 -2.06 0.00 0.00 37.83 32.55 2w3a s LYS 68 CO 0.43 -0.62 0.00 0.41 0.10 0.00 0.00 175.35 175.67 2w3a n GLY 69 N 0.61 0.48 3.12 0.59 0.00 -1.26 -4.99 105.19 103.73 2w3a n GLY 69 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 2w3a n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2w3a s ARG 70 N -0.45 0.76 -0.11 1.61 0.52 -1.19 -4.53 118.95 115.57 2w3a s ARG 70 Ca 0.00 -0.77 -0.29 0.00 -0.52 0.00 0.00 55.73 54.15 2w3a s ARG 70 Cb 0.00 -0.71 -0.01 0.00 0.52 0.00 0.00 34.95 34.75 2w3a s ARG 70 CO 0.00 0.16 0.96 0.42 0.02 0.00 0.00 175.30 176.87 2w3a s ILE 71 N -1.05 4.82 -0.25 1.52 1.01 -0.23 -4.78 121.20 122.24 2w3a s ILE 71 Ca -0.02 1.95 -0.08 0.00 0.00 0.00 0.00 60.65 62.50 2w3a s ILE 71 Cb -0.09 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 2w3a s ILE 71 CO 0.01 0.03 0.08 0.20 0.00 0.00 0.00 174.94 175.27 2w3a s ASN 72 N 1.08 5.23 -0.09 3.58 0.02 -1.26 -0.69 114.94 122.80 2w3a s ASN 72 Ca 0.46 -0.18 0.03 0.00 -1.02 0.00 0.00 52.86 52.15 2w3a s ASN 72 Cb -0.18 -1.94 0.01 0.00 0.02 0.00 0.00 41.25 39.15 2w3a s ASN 72 CO 0.18 -0.03 -0.18 -0.22 0.02 0.00 0.00 177.10 176.86 2w3a s LEU 73 N 1.60 1.87 -0.14 0.60 0.20 -0.18 -1.39 118.68 121.24 2w3a s LEU 73 Ca 0.06 -0.45 -0.06 0.00 0.69 0.00 0.00 54.13 54.37 2w3a s LEU 73 Cb -0.15 -1.16 -0.04 0.00 -0.43 0.00 0.00 46.19 44.41 2w3a s LEU 73 CO 0.04 0.08 0.07 -0.69 -0.29 0.00 0.00 176.35 175.56 2w3a s VAL 74 N 0.63 4.89 -0.22 1.68 1.01 -0.35 -1.82 120.40 126.20 2w3a s VAL 74 Ca -0.14 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 2w3a s VAL 74 Cb -0.16 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2w3a s VAL 74 CO 0.04 0.54 0.34 -0.76 0.00 0.00 0.00 175.10 175.26 2w3a s LEU 75 N -0.35 4.12 -0.11 3.92 1.43 0.35 -1.82 118.68 126.22 2w3a s LEU 75 Ca 0.09 0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 53.27 2w3a s LEU 75 Cb -0.12 -2.41 0.09 0.00 0.03 0.00 0.00 46.19 43.78 2w3a s LEU 75 CO 0.02 -0.07 0.79 -0.55 0.23 0.00 0.00 176.35 176.77 2w3a s SER 76 N 1.17 -0.57 -0.15 2.29 0.15 -0.57 -3.53 113.70 112.50 2w3a s SER 76 Ca 0.16 0.68 0.18 0.00 0.70 0.00 0.00 55.95 57.67 2w3a s SER 76 Cb -0.15 0.55 -0.26 0.00 -1.71 0.00 0.00 66.02 64.45 2w3a s SER 76 CO 0.08 -0.49 0.18 0.54 1.20 0.00 0.00 173.24 174.74 2w3a n ARG 77 N 1.03 0.78 0.10 5.44 1.74 -1.26 -3.92 116.66 120.57 2w3a n ARG 77 Ca -0.16 -0.06 -0.23 0.00 -0.77 0.00 0.00 57.85 56.63 2w3a n ARG 77 Cb 0.57 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.36 2w3a n ARG 77 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2w3a h GLU 78 N 0.00 0.44 -6.93 5.56 4.81 -1.98 -3.46 114.58 113.02 2w3a h GLU 78 Ca -0.38 -0.74 -0.53 0.00 -0.13 0.00 0.00 59.36 57.58 2w3a h GLU 78 Cb 1.85 0.28 0.08 0.00 0.63 0.00 0.00 28.75 31.58 2w3a h GLU 78 CO 0.02 1.36 0.62 -0.51 -0.73 0.00 0.00 179.01 179.77 2w3a s LEU 79 N -7.70 4.27 -0.00 1.64 1.43 -1.26 -4.94 118.68 112.12 2w3a s LEU 79 Ca -0.11 2.67 0.11 0.00 -1.03 0.00 0.00 54.13 55.77 2w3a s LEU 79 Cb 0.03 -3.84 -0.12 0.00 0.03 0.00 0.00 46.19 42.29 2w3a s LEU 79 CO 0.89 -0.77 0.47 0.29 0.23 0.00 0.00 176.35 177.47 2w3a n LYS 80 N 0.29 3.17 -3.94 1.70 4.76 -1.26 -4.94 118.16 117.94 2w3a n LYS 80 Ca 0.03 -0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.38 2w3a n LYS 80 Cb 0.43 -1.04 -0.09 0.00 -1.84 0.00 0.00 35.03 32.49 2w3a n LYS 80 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2w3a s GLU 81 N -2.09 0.62 0.54 1.97 2.02 -1.26 -5.11 118.70 115.39 2w3a s GLU 81 Ca 0.04 -0.85 -0.22 0.00 0.02 0.00 0.00 54.97 53.95 2w3a s GLU 81 Cb 0.09 0.24 -0.05 0.00 0.10 0.00 0.00 34.13 34.51 2w3a s GLU 81 CO 0.47 -0.16 1.38 -2.14 0.02 0.00 0.00 175.26 174.83 2w3a s PRO 82 N -2.98 3.18 0.66 0.39 0.02 -1.26 -4.96 135.00 130.05 2w3a s PRO 82 Ca -0.02 2.29 -0.17 0.00 0.02 0.00 0.00 61.00 63.13 2w3a s PRO 82 Cb 0.01 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 32.23 2w3a s PRO 82 CO -0.06 -1.18 1.19 -2.14 -0.33 0.00 0.00 177.00 174.48 2w3a s PRO 83 N -2.86 2.58 -0.18 5.54 0.02 -1.26 -4.85 135.00 133.99 2w3a s PRO 83 Ca 0.71 1.74 -0.38 0.00 0.02 0.00 0.00 61.00 63.08 2w3a s PRO 83 Cb -0.42 -1.89 -0.14 0.00 0.02 0.00 0.00 34.50 32.07 2w3a s PRO 83 CO 0.50 -1.49 1.76 0.94 -0.33 0.00 0.00 177.00 178.38 2w3a n GLN 84 N -2.20 1.49 0.00 5.54 -0.06 -1.26 -0.72 117.38 120.17 2w3a n GLN 84 Ca 0.13 0.55 0.00 0.00 -2.00 0.00 0.00 57.00 55.68 2w3a n GLN 84 Cb 0.50 -2.28 0.00 0.00 -4.06 0.00 0.00 30.24 24.40 2w3a n GLN 84 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2w3a n GLY 85 N 4.13 2.40 3.84 1.69 0.00 -1.26 -4.96 105.19 111.03 2w3a n GLY 85 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 2w3a n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w3a s ALA 86 N -2.47 3.06 -0.09 4.61 0.00 0.10 -4.21 121.76 122.76 2w3a s ALA 86 Ca 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 51.96 52.19 2w3a s ALA 86 Cb 0.00 -3.13 -0.25 0.00 0.00 0.00 0.00 23.12 19.74 2w3a s ALA 86 CO 0.00 -0.16 0.49 0.45 0.00 0.00 0.00 175.76 176.54 2w3a h HIS 87 N 1.13 0.33 -3.97 0.00 3.86 -1.53 -3.45 115.15 111.52 2w3a h HIS 87 Ca -0.47 -0.24 -0.10 0.00 -1.16 0.00 0.00 60.37 58.39 2w3a h HIS 87 Cb 1.18 -0.01 -0.15 0.00 1.06 0.00 0.00 27.41 29.49 2w3a h HIS 87 CO 0.63 1.51 -0.51 -0.06 0.86 0.00 0.00 177.93 180.36 2w3a s PHE 88 N -2.57 0.30 -0.03 2.45 0.08 -1.03 -4.98 117.98 112.20 2w3a s PHE 88 Ca -0.16 -0.76 0.01 0.00 0.12 0.00 0.00 56.93 56.15 2w3a s PHE 88 Cb 0.07 -0.20 0.01 0.00 -0.57 0.00 0.00 43.02 42.34 2w3a s PHE 88 CO 0.79 -0.46 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.24 2w3a s LEU 89 N -2.78 1.59 0.09 -0.37 2.96 -1.26 -1.22 118.68 117.70 2w3a s LEU 89 Ca 0.04 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2w3a s LEU 89 Cb 0.05 -0.40 -0.04 0.00 0.50 0.00 0.00 46.19 46.31 2w3a s LEU 89 CO -0.10 -0.00 -0.07 -0.44 -1.32 0.00 0.00 176.35 174.42 2w3a s SER 90 N 0.49 1.16 0.10 3.68 0.01 -0.76 -4.97 113.70 113.43 2w3a s SER 90 Ca -0.06 -0.94 0.25 0.00 1.31 0.00 0.00 55.95 56.51 2w3a s SER 90 Cb -0.10 0.08 0.62 0.00 0.21 0.00 0.00 66.02 66.83 2w3a s SER 90 CO 0.00 -0.41 1.54 0.54 0.41 0.00 0.00 173.24 175.31 2w3a n ARG 91 N 0.16 0.19 -3.52 12.44 1.74 -1.25 -1.51 116.66 124.91 2w3a n ARG 91 Ca -0.14 0.09 -0.10 0.00 -0.77 0.00 0.00 57.85 56.93 2w3a n ARG 91 Cb 0.60 -1.65 -0.02 0.00 -1.02 0.00 0.00 32.46 30.36 2w3a n ARG 91 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2w3a s SER 92 N -3.90 -0.48 0.18 0.55 1.04 -1.26 -4.64 113.70 105.19 2w3a s SER 92 Ca 0.09 -0.12 -0.12 0.00 0.48 0.00 0.00 55.95 56.28 2w3a s SER 92 Cb 0.15 0.59 0.09 0.00 0.10 0.00 0.00 66.02 66.95 2w3a s SER 92 CO 0.66 -0.99 1.78 0.25 0.98 0.00 0.00 173.24 175.92 2w3a h LEU 93 N 2.00 0.79 -0.85 2.42 5.85 -1.99 -1.51 115.31 122.02 2w3a h LEU 93 Ca -0.30 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.28 2w3a h LEU 93 Cb 1.29 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 2w3a h LEU 93 CO 0.34 0.68 0.39 -0.78 -0.34 0.00 0.00 178.44 178.73 2w3a h ASP 94 N 0.84 1.11 -0.78 1.25 3.58 -1.99 -0.25 116.42 120.18 2w3a h ASP 94 Ca 0.21 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 2w3a h ASP 94 Cb 0.08 -0.29 -0.04 0.00 1.72 0.00 0.00 39.33 40.81 2w3a h ASP 94 CO -0.03 0.95 0.45 0.44 -2.88 0.00 0.00 179.24 178.17 2w3a h ASP 95 N 1.21 0.97 -0.71 2.28 5.19 -1.91 -1.59 116.42 121.85 2w3a h ASP 95 Ca 0.29 -0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.56 2w3a h ASP 95 Cb 0.14 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.38 2w3a h ASP 95 CO -0.03 0.77 0.25 0.00 -3.12 0.00 0.00 179.24 177.11 2w3a h ALA 96 N 1.24 0.93 -0.49 3.45 0.00 -0.59 -1.39 119.26 122.40 2w3a h ALA 96 Ca 0.28 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2w3a h ALA 96 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2w3a h ALA 96 CO -0.05 0.59 -0.13 -0.07 0.00 0.00 0.00 179.25 179.59 2w3a h LEU 97 N 1.04 0.92 -1.32 0.00 3.38 -0.79 -2.51 115.31 116.03 2w3a h LEU 97 Ca 0.23 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2w3a h LEU 97 Cb 0.27 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2w3a h LEU 97 CO -0.01 1.06 0.47 0.11 0.09 0.00 0.00 178.44 180.16 2w3a h LYS 98 N 0.82 0.89 -0.26 1.13 1.79 -1.11 -2.85 116.57 116.98 2w3a h LYS 98 Ca 0.13 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 2w3a h LYS 98 Cb 0.67 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 2w3a h LYS 98 CO 0.05 0.59 0.09 1.25 -1.08 0.00 0.00 179.45 180.34 2w3a h LEU 99 N 0.91 0.32 -1.16 2.94 5.85 -0.79 -2.77 115.31 120.60 2w3a h LEU 99 Ca 0.28 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2w3a h LEU 99 Cb -0.02 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.93 2w3a h LEU 99 CO -0.07 0.31 0.00 0.71 -0.34 0.00 0.00 178.44 179.05 2w3a h THR 100 N 0.36 0.00 -0.01 1.05 1.35 -1.46 -2.39 112.91 111.81 2w3a h THR 100 Ca 0.09 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 2w3a h THR 100 Cb 0.10 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 2w3a h THR 100 CO -0.01 0.00 -0.52 -0.62 -0.25 0.00 0.00 175.52 174.12 2w3a n GLU 101 N -2.60 1.20 -1.53 4.72 4.71 -1.05 -3.14 120.64 122.95 2w3a n GLU 101 Ca 0.01 -0.80 -0.30 0.00 -0.01 0.00 0.00 57.16 56.06 2w3a n GLU 101 Cb 0.23 -1.43 0.10 0.00 -1.01 0.00 0.00 31.44 29.34 2w3a n GLU 101 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 2w3a s GLN 102 N -2.41 1.89 0.32 3.49 -1.52 -0.90 -4.62 119.66 115.90 2w3a s GLN 102 Ca 0.16 0.59 0.04 0.00 -1.95 0.00 0.00 55.36 54.20 2w3a s GLN 102 Cb 0.16 -1.90 0.66 0.00 -0.22 0.00 0.00 33.01 31.72 2w3a s GLN 102 CO 0.57 -1.75 1.89 -1.35 -0.25 0.00 0.00 175.29 174.41 2w3a h PRO 103 N -1.18 0.85 -0.64 2.91 0.11 -1.93 0.04 132.00 132.16 2w3a h PRO 103 Ca -0.48 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.61 2w3a h PRO 103 Cb 1.28 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 2w3a h PRO 103 CO 0.59 0.56 0.39 1.49 -0.21 0.00 0.00 178.00 180.83 2w3a h GLU 104 N 0.87 0.74 -0.01 1.05 4.81 -1.93 -3.21 114.58 116.90 2w3a h GLU 104 Ca 0.42 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2w3a h GLU 104 Cb 0.43 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2w3a h GLU 104 CO -0.18 0.49 -0.26 1.28 -0.73 0.00 0.00 179.01 179.61 2w3a n LEU 105 N -4.72 1.84 -4.75 1.64 4.77 -1.07 -4.90 117.00 109.80 2w3a n LEU 105 Ca 0.06 -0.82 -0.42 0.00 -0.03 0.00 0.00 56.01 54.80 2w3a n LEU 105 Cb 0.09 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2w3a n LEU 105 CO 0.32 0.34 1.18 0.00 -1.33 0.00 0.00 177.39 177.91 2w3a n ALA 106 N 0.14 2.36 -1.48 -1.18 0.00 -0.02 -1.22 120.51 119.11 2w3a n ALA 106 Ca 0.08 0.36 -0.17 0.00 0.00 0.00 0.00 53.44 53.71 2w3a n ALA 106 Cb 0.37 -2.43 -0.07 0.00 0.00 0.00 0.00 19.45 17.31 2w3a n ALA 106 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2w3a n ASN 107 N 1.49 -5.51 -0.00 0.00 5.03 -1.26 -4.83 115.26 110.18 2w3a n ASN 107 Ca 0.06 0.41 0.04 0.00 0.87 0.00 0.00 54.58 55.97 2w3a n ASN 107 Cb 0.37 -4.54 -0.06 0.00 -1.02 0.00 0.00 39.78 34.53 2w3a n ASN 107 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2w3a n LYS 108 N -1.73 0.73 -4.35 3.52 5.02 -0.36 -4.80 118.16 116.19 2w3a n LYS 108 Ca -0.17 -0.07 -0.35 0.00 -2.02 0.00 0.00 58.31 55.71 2w3a n LYS 108 Cb 0.64 -1.17 -0.10 0.00 -0.02 0.00 0.00 35.03 34.38 2w3a n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2w3a s VAL 109 N -2.50 4.24 0.00 -0.18 1.01 -1.24 -1.36 120.40 120.37 2w3a s VAL 109 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2w3a s VAL 109 Cb 0.06 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.62 2w3a s VAL 109 CO 0.36 0.56 0.00 -0.67 0.00 0.00 0.00 175.10 175.35 2w3a n ASP 110 N 2.62 0.00 -4.86 3.32 2.03 -0.23 -4.87 116.55 114.56 2w3a n ASP 110 Ca -0.18 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.81 2w3a n ASP 110 Cb 0.53 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.88 2w3a n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2w3a s MET 111 N 0.45 3.90 -0.16 -0.67 -1.94 -1.26 -4.89 119.30 114.73 2w3a s MET 111 Ca 0.00 0.54 -0.03 0.00 -1.71 0.00 0.00 55.69 54.48 2w3a s MET 111 Cb 0.00 -2.46 -0.02 0.00 2.01 0.00 0.00 34.83 34.36 2w3a s MET 111 CO 0.00 0.12 -0.05 0.08 -0.01 0.00 0.00 175.02 175.16 2w3a s VAL 112 N -2.08 3.72 -0.14 -6.03 1.01 -1.26 -0.89 120.40 114.73 2w3a s VAL 112 Ca 0.52 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2w3a s VAL 112 Cb -0.10 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.67 2w3a s VAL 112 CO 0.22 0.49 -0.18 0.26 0.00 0.00 0.00 175.10 175.90 2w3a s TRP 113 N 0.43 2.35 -0.22 5.22 0.52 0.18 -1.42 118.94 126.00 2w3a s TRP 113 Ca -0.05 -1.23 -0.19 0.00 0.02 0.00 0.00 56.10 54.66 2w3a s TRP 113 Cb -0.15 -1.65 -0.03 0.00 -1.15 0.00 0.00 33.47 30.49 2w3a s TRP 113 CO 0.03 -0.61 0.54 0.42 0.02 0.00 0.00 176.95 177.35 2w3a s ILE 114 N 1.09 5.07 -0.14 2.03 -1.09 0.57 -0.99 121.20 127.75 2w3a s ILE 114 Ca -0.02 0.98 0.18 0.00 -2.23 0.00 0.00 60.65 59.56 2w3a s ILE 114 Cb -0.14 -3.86 0.32 0.00 -1.58 0.00 0.00 42.46 37.20 2w3a s ILE 114 CO -0.05 0.13 1.18 1.33 -1.23 0.00 0.00 174.94 176.29 2w3a n VAL 115 N 4.79 1.95 0.00 2.92 0.24 -0.47 -1.62 118.33 126.14 2w3a n VAL 115 Ca -0.04 -2.34 0.00 0.00 -2.04 0.00 0.00 64.34 59.93 2w3a n VAL 115 Cb 0.50 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 2w3a n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2w3a n GLY 116 N -1.35 1.35 0.00 7.63 0.00 -1.26 -4.96 105.19 106.59 2w3a n GLY 116 Ca 0.17 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 44.03 2w3a n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w3a n GLY 117 N -0.12 1.54 0.31 -0.02 0.00 -1.26 -0.92 105.19 104.73 2w3a n GLY 117 Ca 0.00 -1.81 -0.03 0.00 0.00 0.00 0.00 46.02 44.18 2w3a n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2w3a h SER 118 N 0.00 -0.95 0.52 1.61 0.02 -1.98 -0.97 113.55 111.80 2w3a h SER 118 Ca 0.00 0.21 -0.10 0.00 -0.84 0.00 0.00 61.79 61.07 2w3a h SER 118 Cb 0.00 0.51 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2w3a h SER 118 CO 0.00 -0.28 -0.47 0.77 -1.14 0.00 0.00 176.83 175.72 2w3a h SER 119 N -0.11 0.00 -0.16 3.07 4.64 -1.96 -1.37 113.55 117.66 2w3a h SER 119 Ca 0.26 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.43 2w3a h SER 119 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2w3a h SER 119 CO -0.67 0.47 -0.50 0.58 -0.87 0.00 0.00 176.83 175.84 2w3a h VAL 120 N 0.00 1.33 -0.84 0.95 2.07 -1.58 -2.00 116.25 116.18 2w3a h VAL 120 Ca -0.00 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.77 2w3a h VAL 120 Cb 0.85 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 2w3a h VAL 120 CO 0.06 0.54 0.53 1.88 0.02 0.00 0.00 177.57 180.60 2w3a h TYR 121 N 0.29 1.08 -0.43 1.57 0.05 -1.04 -0.20 116.97 118.29 2w3a h TYR 121 Ca -0.02 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2w3a h TYR 121 Cb 1.12 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 38.48 2w3a h TYR 121 CO 0.10 0.70 0.23 -0.22 -1.05 0.00 0.00 178.16 177.92 2w3a h LYS 122 N 1.14 0.60 -0.28 4.88 3.64 -1.16 -0.64 116.57 124.75 2w3a h LYS 122 Ca 0.30 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2w3a h LYS 122 Cb -0.09 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 2w3a h LYS 122 CO -0.06 0.48 0.11 1.49 -2.27 0.00 0.00 179.45 179.20 2w3a h GLU 123 N 0.55 0.42 -0.65 1.90 4.81 -1.11 -3.14 114.58 117.37 2w3a h GLU 123 Ca 0.15 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2w3a h GLU 123 Cb 0.06 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2w3a h GLU 123 CO -0.02 0.46 0.25 0.00 -0.73 0.00 0.00 179.01 178.96 2w3a h ALA 124 N 0.95 0.84 0.00 2.92 0.00 -0.79 -2.89 119.26 120.29 2w3a h ALA 124 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2w3a h ALA 124 Cb 0.20 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2w3a h ALA 124 CO -0.01 0.47 -0.09 0.52 0.00 0.00 0.00 179.25 180.15 2w3a h MET 125 N 0.92 0.00 -0.02 0.00 2.86 -1.08 -1.57 114.93 116.04 2w3a h MET 125 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2w3a h MET 125 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2w3a h MET 125 CO -0.02 0.09 -0.08 -1.71 1.06 0.00 0.00 176.91 176.26 2w3a n ASN 126 N -3.69 2.15 -4.77 1.22 5.15 -1.11 -4.96 115.26 109.25 2w3a n ASN 126 Ca -0.02 -1.65 -0.40 0.00 -0.60 0.00 0.00 54.58 51.91 2w3a n ASN 126 Cb 0.20 0.07 -0.02 0.00 -0.53 0.00 0.00 39.78 39.49 2w3a n ASN 126 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 2w3a s HIS 127 N -2.10 3.08 0.70 1.20 2.46 -0.59 -4.98 115.29 115.05 2w3a s HIS 127 Ca 0.30 1.48 -0.14 0.00 0.47 0.00 0.00 55.06 57.17 2w3a s HIS 127 Cb 0.20 -3.57 0.02 0.00 -0.13 0.00 0.00 32.58 29.10 2w3a s HIS 127 CO 0.36 -1.63 1.12 -1.25 -2.47 0.00 0.00 174.74 170.88 2w3a s PRO 128 N -1.92 2.57 0.27 2.88 0.04 -1.26 -4.90 135.00 132.68 2w3a s PRO 128 Ca 0.51 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2w3a s PRO 128 Cb -0.37 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2w3a s PRO 128 CO 0.48 -1.43 0.00 0.41 0.04 0.00 0.00 177.00 176.50 2w3a n GLY 129 N -0.56 -1.79 3.73 0.56 0.00 -1.25 -4.93 105.19 100.94 2w3a n GLY 129 Ca 0.10 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 2w3a n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2w3a s HIS 130 N 0.00 3.37 -0.15 1.61 5.65 -1.19 -3.79 115.29 120.80 2w3a s HIS 130 Ca 0.00 1.30 -0.09 0.00 0.25 0.00 0.00 55.06 56.52 2w3a s HIS 130 Cb 0.00 -3.50 0.05 0.00 -1.18 0.00 0.00 32.58 27.95 2w3a s HIS 130 CO 0.00 -1.50 0.36 -1.17 -0.65 0.00 0.00 174.74 171.78 2w3a s LEU 131 N 0.17 0.20 0.03 8.88 0.20 -0.73 -2.64 118.68 124.79 2w3a s LEU 131 Ca 0.56 0.77 0.06 0.00 0.69 0.00 0.00 54.13 56.21 2w3a s LEU 131 Cb -0.33 1.19 -0.03 0.00 -0.43 0.00 0.00 46.19 46.58 2w3a s LEU 131 CO 0.35 -0.17 -0.14 -0.54 -0.29 0.00 0.00 176.35 175.56 2w3a s LYS 132 N 1.06 2.22 -0.24 1.98 1.02 -0.96 -1.44 119.74 123.38 2w3a s LYS 132 Ca -0.07 -0.91 -0.01 0.00 0.02 0.00 0.00 55.97 55.00 2w3a s LYS 132 Cb -0.07 -2.29 0.03 0.00 -0.52 0.00 0.00 37.83 34.98 2w3a s LYS 132 CO -0.08 0.56 -0.08 -0.51 -0.92 0.00 0.00 175.35 174.31 2w3a s LEU 133 N -1.48 3.12 -0.54 3.17 1.43 0.11 -0.76 118.68 123.73 2w3a s LEU 133 Ca 0.16 -0.91 -0.18 0.00 -1.03 0.00 0.00 54.13 52.16 2w3a s LEU 133 Cb -0.11 -1.63 0.09 0.00 0.03 0.00 0.00 46.19 44.57 2w3a s LEU 133 CO 0.06 -0.12 0.62 -0.36 0.23 0.00 0.00 176.35 176.78 2w3a s PHE 134 N 1.30 3.07 -0.23 0.29 0.40 0.30 -0.68 117.98 122.44 2w3a s PHE 134 Ca -0.00 -0.87 -0.02 0.00 -0.60 0.00 0.00 56.93 55.43 2w3a s PHE 134 Cb -0.17 -3.74 0.01 0.00 0.51 0.00 0.00 43.02 39.64 2w3a s PHE 134 CO -0.05 -1.12 -0.07 0.08 0.70 0.00 0.00 175.22 174.76 2w3a s VAL 135 N 2.40 3.02 -0.34 -0.44 1.01 -0.27 -1.51 120.40 124.28 2w3a s VAL 135 Ca 0.11 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 61.10 2w3a s VAL 135 Cb -0.23 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2w3a s VAL 135 CO 0.08 0.34 0.66 -0.89 0.00 0.00 0.00 175.10 175.28 2w3a s THR 136 N 1.39 4.87 -0.53 3.92 2.01 -0.11 -1.03 115.64 126.17 2w3a s THR 136 Ca 0.03 0.71 -0.22 0.00 0.31 0.00 0.00 61.69 62.52 2w3a s THR 136 Cb -0.15 -4.08 0.05 0.00 0.01 0.00 0.00 72.50 68.32 2w3a s THR 136 CO -0.05 -0.29 0.81 -0.13 -0.69 0.00 0.00 174.62 174.27 2w3a s ARG 137 N 2.76 3.25 -0.38 4.92 1.81 0.11 -0.82 118.95 130.60 2w3a s ARG 137 Ca 0.26 -0.50 -0.29 0.00 -1.72 0.00 0.00 55.73 53.48 2w3a s ARG 137 Cb -0.14 -4.07 0.02 0.00 -0.45 0.00 0.00 34.95 30.31 2w3a s ARG 137 CO 0.14 -1.37 1.08 0.42 -0.68 0.00 0.00 175.30 174.90 2w3a s ILE 138 N 3.41 4.41 -0.24 1.52 -1.09 -0.29 -1.36 121.20 127.56 2w3a s ILE 138 Ca 0.24 1.50 -0.02 0.00 -2.23 0.00 0.00 60.65 60.14 2w3a s ILE 138 Cb -0.15 -4.48 0.07 0.00 -1.58 0.00 0.00 42.46 36.33 2w3a s ILE 138 CO 0.16 -0.68 2.39 0.23 -1.23 0.00 0.00 174.94 175.82 2w3a n MET 139 N 7.21 1.80 -3.73 2.79 2.81 -0.31 -2.28 117.12 125.40 2w3a n MET 139 Ca 0.11 -1.34 -0.09 0.00 -1.81 0.00 0.00 57.70 54.57 2w3a n MET 139 Cb 0.48 -1.65 -0.03 0.00 -0.71 0.00 0.00 33.22 31.31 2w3a n MET 139 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 2w3a s GLN 140 N -1.05 1.52 0.38 0.03 -2.07 -1.26 -4.92 119.66 112.29 2w3a s GLN 140 Ca 0.36 -0.85 -0.25 0.00 -1.82 0.00 0.00 55.36 52.80 2w3a s GLN 140 Cb 0.23 0.57 -0.09 0.00 -1.09 0.00 0.00 33.01 32.63 2w3a s GLN 140 CO -0.05 -0.67 1.03 -0.51 -1.32 0.00 0.00 175.29 173.77 2w3a s ASP 141 N -2.87 6.90 -0.00 12.60 1.01 -1.26 -1.82 116.67 131.23 2w3a s ASP 141 Ca 0.09 2.00 0.01 0.00 0.71 0.00 0.00 52.55 55.36 2w3a s ASP 141 Cb -0.03 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 2w3a s ASP 141 CO -0.01 -0.39 -0.02 -0.36 0.21 0.00 0.00 175.17 174.60 2w3a s PHE 142 N -1.64 0.21 0.12 4.23 0.08 -1.26 -4.95 117.98 114.77 2w3a s PHE 142 Ca 0.56 -0.06 -0.31 0.00 0.12 0.00 0.00 56.93 57.24 2w3a s PHE 142 Cb -0.21 -0.14 -0.09 0.00 -0.57 0.00 0.00 43.02 42.01 2w3a s PHE 142 CO 0.27 -0.01 1.56 -1.21 -0.10 0.00 0.00 175.22 175.74 2w3a s GLU 143 N -0.10 4.23 0.04 0.44 0.41 -1.26 -4.81 118.70 117.64 2w3a s GLU 143 Ca 0.00 2.30 -0.00 0.00 -0.41 0.00 0.00 54.97 56.86 2w3a s GLU 143 Cb -0.01 -3.32 -0.03 0.00 -1.78 0.00 0.00 34.13 28.99 2w3a s GLU 143 CO -0.00 -0.62 -0.04 -1.12 -0.49 0.00 0.00 175.26 172.99 2w3a s SER 144 N 1.56 0.42 0.00 -0.19 0.01 -1.26 -4.76 113.70 109.48 2w3a s SER 144 Ca 0.70 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2w3a s SER 144 Cb -0.41 0.13 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2w3a s SER 144 CO 0.31 -0.40 0.63 -0.90 0.41 0.00 0.00 173.24 173.29 2w3a n ASP 145 N 1.00 1.26 -3.85 2.44 5.68 0.27 -4.98 116.55 118.37 2w3a n ASP 145 Ca -0.20 -1.28 -0.12 0.00 -0.50 0.00 0.00 54.79 52.69 2w3a n ASP 145 Cb 0.57 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.42 2w3a n ASP 145 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2w3a s THR 146 N -0.28 -0.00 0.07 2.12 2.01 -1.06 -5.00 115.64 113.51 2w3a s THR 146 Ca 0.00 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.05 2w3a s THR 146 Cb 0.00 -0.06 -0.03 0.00 0.01 0.00 0.00 72.50 72.42 2w3a s THR 146 CO 0.00 0.00 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.46 2w3a s PHE 147 N 0.07 1.03 0.09 4.92 0.40 -1.26 -0.82 117.98 122.41 2w3a s PHE 147 Ca -0.00 -0.54 -0.28 0.00 -0.60 0.00 0.00 56.93 55.51 2w3a s PHE 147 Cb -0.01 -0.58 -0.06 0.00 0.51 0.00 0.00 43.02 42.88 2w3a s PHE 147 CO -0.00 0.01 0.87 0.12 0.70 0.00 0.00 175.22 176.91 2w3a s PHE 148 N -1.72 3.79 0.74 0.36 5.36 0.02 -4.66 117.98 121.86 2w3a s PHE 148 Ca -0.01 1.66 -0.14 0.00 -0.96 0.00 0.00 56.93 57.47 2w3a s PHE 148 Cb -0.07 -2.94 0.05 0.00 -0.34 0.00 0.00 43.02 39.71 2w3a s PHE 148 CO 0.01 0.25 1.19 -2.14 -1.46 0.00 0.00 175.22 173.07 2w3a s PRO 149 N -0.10 2.11 0.26 10.12 0.02 -1.26 -4.94 135.00 141.22 2w3a s PRO 149 Ca 0.43 1.69 -0.31 0.00 0.02 0.00 0.00 61.00 62.83 2w3a s PRO 149 Cb -0.22 -1.84 -0.11 0.00 0.02 0.00 0.00 34.50 32.35 2w3a s PRO 149 CO 0.27 -1.84 1.63 -1.83 -0.33 0.00 0.00 177.00 174.89 2w3a s GLU 150 N -4.02 4.13 -0.21 5.54 1.03 -1.26 -4.97 118.70 118.93 2w3a s GLU 150 Ca 0.72 2.57 -0.26 0.00 0.03 0.00 0.00 54.97 58.04 2w3a s GLU 150 Cb -0.27 -3.04 -0.00 0.00 -0.80 0.00 0.00 34.13 30.01 2w3a s GLU 150 CO 0.46 -0.66 0.91 0.42 -1.33 0.00 0.00 175.26 175.06 2w3a s ILE 151 N 0.35 4.79 -0.55 1.83 1.01 -1.26 -5.02 121.20 122.36 2w3a s ILE 151 Ca 0.67 1.75 -0.25 0.00 0.00 0.00 0.00 60.65 62.82 2w3a s ILE 151 Cb -0.48 -4.19 0.04 0.00 0.01 0.00 0.00 42.46 37.84 2w3a s ILE 151 CO 0.43 -0.08 0.98 -0.62 0.00 0.00 0.00 174.94 175.65 2w3a s ASP 152 N 1.24 6.36 0.00 3.58 -1.08 -1.26 -4.90 116.67 120.61 2w3a s ASP 152 Ca 0.39 -0.26 0.23 0.00 -0.52 0.00 0.00 52.55 52.40 2w3a s ASP 152 Cb -0.16 -2.46 1.13 0.00 -1.46 0.00 0.00 42.92 39.97 2w3a s ASP 152 CO 0.09 -1.26 1.77 0.18 0.52 0.00 0.00 175.17 176.46 2w3a n LEU 153 N 7.60 0.00 0.07 -1.34 4.77 -1.26 -0.88 117.00 125.96 2w3a n LEU 153 Ca 0.03 0.35 0.02 0.00 -0.03 0.00 0.00 56.01 56.38 2w3a n LEU 153 Cb 0.48 -0.35 0.37 0.00 -2.33 0.00 0.00 43.42 41.59 2w3a n LEU 153 CO 0.65 -0.08 0.94 -0.08 -1.33 0.00 0.00 177.39 177.49 2w3a h GLU 154 N 0.00 0.35 0.00 3.23 4.57 -2.04 -3.36 114.58 117.34 2w3a h GLU 154 Ca 0.00 -0.07 -0.44 0.00 -1.18 0.00 0.00 59.36 57.67 2w3a h GLU 154 Cb 0.27 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.74 2w3a h GLU 154 CO 0.00 0.42 -2.51 1.63 -1.18 0.00 0.00 179.01 177.37 2w3a n LYS 155 N -4.31 0.60 -3.55 1.92 5.02 -0.35 -5.01 118.16 112.49 2w3a n LYS 155 Ca 0.00 0.22 -0.37 0.00 -2.02 0.00 0.00 58.31 56.15 2w3a n LYS 155 Cb 0.23 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 2w3a n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2w3a s TYR 156 N -2.50 3.66 -0.05 2.13 2.02 -0.06 -4.41 117.35 118.14 2w3a s TYR 156 Ca -0.37 0.89 0.05 0.00 -0.37 0.00 0.00 57.07 57.27 2w3a s TYR 156 Cb 0.13 -2.22 -0.02 0.00 -0.40 0.00 0.00 41.96 39.45 2w3a s TYR 156 CO 0.51 0.59 -0.20 0.15 -1.57 0.00 0.00 175.55 175.03 2w3a s LYS 157 N -1.43 2.48 -0.14 -0.62 1.02 -0.46 -4.43 119.74 116.15 2w3a s LYS 157 Ca 0.27 -0.82 -0.29 0.00 0.02 0.00 0.00 55.97 55.15 2w3a s LYS 157 Cb -0.15 -2.25 -0.02 0.00 -0.52 0.00 0.00 37.83 34.90 2w3a s LYS 157 CO 0.15 0.51 1.24 -1.17 -0.92 0.00 0.00 175.35 175.16 2w3a s LEU 158 N -0.45 4.20 0.13 3.17 2.96 -1.26 -1.39 118.68 126.04 2w3a s LEU 158 Ca 0.05 1.71 -0.30 0.00 -0.22 0.00 0.00 54.13 55.37 2w3a s LEU 158 Cb -0.12 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.97 2w3a s LEU 158 CO 0.01 -0.72 1.01 -0.76 -1.32 0.00 0.00 176.35 174.58 2w3a s LEU 159 N 3.22 4.49 0.41 -0.68 1.43 -0.21 -4.94 118.68 122.40 2w3a s LEU 159 Ca 0.55 1.90 0.12 0.00 -1.03 0.00 0.00 54.13 55.66 2w3a s LEU 159 Cb -0.22 -3.59 0.86 0.00 0.03 0.00 0.00 46.19 43.27 2w3a s LEU 159 CO 0.16 -0.13 1.94 1.55 0.23 0.00 0.00 176.35 180.10 2w3a h PRO 160 N 5.44 0.13 -3.21 1.29 0.13 -1.95 -3.43 132.00 130.40 2w3a h PRO 160 Ca -0.43 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2w3a h PRO 160 Cb 1.21 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2w3a h PRO 160 CO 0.72 0.30 0.16 -1.83 -0.23 0.00 0.00 178.00 177.12 2w3a s GLU 161 N -4.66 1.97 -0.14 0.86 1.03 -1.26 -5.05 118.70 111.44 2w3a s GLU 161 Ca -0.05 -1.31 -0.11 0.00 0.03 0.00 0.00 54.97 53.54 2w3a s GLU 161 Cb 0.15 0.58 0.04 0.00 -0.80 0.00 0.00 34.13 34.11 2w3a s GLU 161 CO 0.72 -0.89 0.36 -0.47 -1.33 0.00 0.00 175.26 173.65 2w3a s TYR 162 N -3.14 -0.43 0.29 4.83 5.04 -1.26 -5.03 117.35 117.64 2w3a s TYR 162 Ca 0.17 1.02 -0.30 0.00 -2.44 0.00 0.00 57.07 55.52 2w3a s TYR 162 Cb -0.04 0.15 -0.11 0.00 0.35 0.00 0.00 41.96 42.31 2w3a s TYR 162 CO 0.11 -0.23 1.54 -2.14 -1.34 0.00 0.00 175.55 173.49 2w3a s PRO 163 N 0.55 4.16 0.00 4.97 0.02 -1.26 -2.13 135.00 141.31 2w3a s PRO 163 Ca -0.03 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.50 2w3a s PRO 163 Cb -0.04 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.44 2w3a s PRO 163 CO -0.03 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.48 2w3a n GLY 164 N 1.99 0.80 3.18 0.52 0.00 -1.26 -5.03 105.19 105.39 2w3a n GLY 164 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2w3a n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w3a s VAL 165 N -3.16 2.02 0.36 1.61 1.01 -0.90 -5.11 120.40 116.23 2w3a s VAL 165 Ca 0.00 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 60.74 2w3a s VAL 165 Cb 0.00 -1.77 -0.09 0.00 0.00 0.00 0.00 36.38 34.51 2w3a s VAL 165 CO 0.00 0.55 1.25 -0.76 0.00 0.00 0.00 175.10 176.14 2w3a s LEU 166 N 0.67 4.33 -0.14 3.92 1.43 -1.26 -4.60 118.68 123.02 2w3a s LEU 166 Ca -0.11 2.56 0.16 0.00 -1.03 0.00 0.00 54.13 55.71 2w3a s LEU 166 Cb -0.16 -3.80 -0.24 0.00 0.03 0.00 0.00 46.19 42.01 2w3a s LEU 166 CO 0.02 -0.62 0.31 -1.20 0.23 0.00 0.00 176.35 175.09 2w3a n SER 167 N 0.48 0.38 -4.83 2.29 7.64 -1.26 -4.45 113.62 113.86 2w3a n SER 167 Ca 0.02 0.17 -0.32 0.00 1.01 0.00 0.00 58.87 59.75 2w3a n SER 167 Cb 0.44 0.55 0.02 0.00 -1.01 0.00 0.00 64.21 64.20 2w3a n SER 167 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2w3a s ASP 168 N -5.75 5.92 0.24 6.43 1.01 -1.26 -4.85 116.67 118.42 2w3a s ASP 168 Ca -0.08 1.59 -0.31 0.00 0.71 0.00 0.00 52.55 54.46 2w3a s ASP 168 Cb 0.07 -2.50 -0.12 0.00 1.01 0.00 0.00 42.92 41.38 2w3a s ASP 168 CO 0.83 -1.07 1.66 -0.69 0.21 0.00 0.00 175.17 176.10 2w3a s VAL 169 N -2.89 2.10 0.22 -1.27 1.01 -1.26 -4.72 120.40 113.59 2w3a s VAL 169 Ca 0.58 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.69 2w3a s VAL 169 Cb -0.13 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 2w3a s VAL 169 CO 0.47 0.01 0.28 -1.10 0.00 0.00 0.00 175.10 174.75 2w3a s GLN 170 N 0.49 3.24 -0.11 2.72 -1.52 0.53 -4.96 119.66 120.06 2w3a s GLN 170 Ca 0.70 -0.83 -0.05 0.00 -1.95 0.00 0.00 55.36 53.23 2w3a s GLN 170 Cb -0.48 -2.79 0.05 0.00 -0.22 0.00 0.00 33.01 29.57 2w3a s GLN 170 CO 0.38 0.44 0.25 -2.00 -0.25 0.00 0.00 175.29 174.11 2w3a s GLU 171 N -3.72 0.18 -0.01 2.91 2.12 -1.26 -1.12 118.70 117.80 2w3a s GLU 171 Ca 0.33 0.59 0.00 0.00 0.36 0.00 0.00 54.97 56.26 2w3a s GLU 171 Cb -0.09 -0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.20 2w3a s GLU 171 CO 0.27 -0.20 -0.01 -1.21 -0.54 0.00 0.00 175.26 173.57 2w3a s GLU 172 N 1.60 0.11 -1.68 4.30 2.02 -0.79 -4.87 118.70 119.39 2w3a s GLU 172 Ca -0.06 -0.01 -0.16 0.00 0.02 0.00 0.00 54.97 54.76 2w3a s GLU 172 Cb -0.11 -0.16 0.14 0.00 0.10 0.00 0.00 34.13 34.10 2w3a s GLU 172 CO -0.08 -0.01 0.73 1.63 0.02 0.00 0.00 175.26 177.54 2w3a n LYS 173 N 3.29 -3.06 -0.93 1.61 5.02 -1.26 -1.05 118.16 121.79 2w3a n LYS 173 Ca -0.16 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 2w3a n LYS 173 Cb 0.57 -4.99 0.00 0.00 -0.02 0.00 0.00 35.03 30.59 2w3a n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2w3a n GLY 174 N -1.48 0.47 3.43 0.72 0.00 -1.26 -5.00 105.19 102.07 2w3a n GLY 174 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2w3a n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w3a s ILE 175 N -2.22 4.11 0.11 -0.61 1.01 -0.22 -5.09 121.20 118.29 2w3a s ILE 175 Ca 0.00 -0.24 -0.21 0.00 0.00 0.00 0.00 60.65 60.19 2w3a s ILE 175 Cb 0.00 -2.90 -0.07 0.00 0.01 0.00 0.00 42.46 39.50 2w3a s ILE 175 CO 0.00 0.37 0.64 -0.54 0.00 0.00 0.00 174.94 175.41 2w3a s LYS 176 N 1.43 4.31 0.21 2.79 1.02 -1.26 -1.89 119.74 126.35 2w3a s LYS 176 Ca 0.05 0.87 -0.11 0.00 0.02 0.00 0.00 55.97 56.80 2w3a s LYS 176 Cb -0.15 -3.23 -0.00 0.00 -0.52 0.00 0.00 37.83 33.93 2w3a s LYS 176 CO 0.02 0.61 0.40 1.52 -0.92 0.00 0.00 175.35 176.98 2w3a s TYR 177 N -1.14 0.36 0.01 3.18 -0.85 -0.27 -1.17 117.35 117.48 2w3a s TYR 177 Ca 0.31 -0.71 -0.05 0.00 -0.52 0.00 0.00 57.07 56.10 2w3a s TYR 177 Cb -0.21 0.09 -0.01 0.00 0.38 0.00 0.00 41.96 42.22 2w3a s TYR 177 CO 0.21 -0.87 0.09 -1.59 -1.52 0.00 0.00 175.55 171.87 2w3a s LYS 178 N -3.99 0.45 -0.22 -3.49 -2.85 -0.46 -0.34 119.74 108.83 2w3a s LYS 178 Ca 0.20 -0.51 -0.16 0.00 -1.00 0.00 0.00 55.97 54.50 2w3a s LYS 178 Cb 0.01 0.18 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 2w3a s LYS 178 CO 0.05 -0.10 0.42 -0.06 0.10 0.00 0.00 175.35 175.75 2w3a s PHE 179 N -1.59 3.33 0.15 1.78 0.08 -1.26 -0.71 117.98 119.76 2w3a s PHE 179 Ca -0.14 0.59 0.10 0.00 0.12 0.00 0.00 56.93 57.60 2w3a s PHE 179 Cb -0.07 -2.57 -0.04 0.00 -0.57 0.00 0.00 43.02 39.76 2w3a s PHE 179 CO 0.00 -0.10 -0.22 -1.21 -0.10 0.00 0.00 175.22 173.59 2w3a s GLU 180 N 1.63 1.61 -0.08 0.44 2.02 -0.19 -4.82 118.70 119.30 2w3a s GLU 180 Ca 0.19 -1.33 0.01 0.00 0.02 0.00 0.00 54.97 53.86 2w3a s GLU 180 Cb -0.15 -1.98 0.02 0.00 0.10 0.00 0.00 34.13 32.12 2w3a s GLU 180 CO 0.09 0.45 -0.10 0.08 0.02 0.00 0.00 175.26 175.79 2w3a s VAL 181 N -1.30 1.08 0.13 2.63 1.01 -1.26 -1.11 120.40 121.59 2w3a s VAL 181 Ca 0.18 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.83 2w3a s VAL 181 Cb -0.10 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2w3a s VAL 181 CO 0.09 0.36 -0.06 -0.31 0.00 0.00 0.00 175.10 175.17 2w3a s TYR 182 N 1.07 2.78 -0.02 5.22 1.51 0.15 -1.04 117.35 127.01 2w3a s TYR 182 Ca -0.07 -0.14 -0.03 0.00 -1.01 0.00 0.00 57.07 55.81 2w3a s TYR 182 Cb -0.15 -1.41 0.00 0.00 -0.11 0.00 0.00 41.96 40.29 2w3a s TYR 182 CO -0.01 0.47 0.08 -2.00 -1.11 0.00 0.00 175.55 172.98 2w3a s GLU 183 N -2.48 0.20 0.11 -0.62 2.12 -0.48 -0.71 118.70 116.83 2w3a s GLU 183 Ca 0.24 -0.05 0.07 0.00 0.36 0.00 0.00 54.97 55.59 2w3a s GLU 183 Cb -0.10 0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.33 2w3a s GLU 183 CO 0.16 -0.03 -0.18 -1.59 -0.54 0.00 0.00 175.26 173.07 2w3a s LYS 184 N -0.38 1.08 -0.06 4.30 -2.85 -0.52 -1.36 119.74 119.96 2w3a s LYS 184 Ca -0.04 -1.18 0.18 0.00 -1.00 0.00 0.00 55.97 53.93 2w3a s LYS 184 Cb -0.03 -1.21 -0.27 0.00 -2.06 0.00 0.00 37.83 34.26 2w3a s LYS 184 CO 0.00 0.27 0.33 0.09 0.10 0.00 0.00 175.35 176.14 2w3a n ASN 185 N 0.90 0.74 0.00 0.03 3.02 -1.26 -1.78 115.26 116.91 2w3a n ASN 185 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 2w3a n ASN 185 Cb 0.55 1.64 0.00 0.00 -0.61 0.00 0.00 39.78 41.35 2w3a n ASN 185 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11