#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 0.05 3.61 2.92 0.00 -1.26 -4.91 105.19 105.60 2w3a n GLY 2 Ca 0.00 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.18 -0.62 0.22 1.61 0.15 -1.26 -4.15 113.70 107.46 2w3a s SER 3 Ca 0.30 1.07 0.11 0.00 0.70 0.00 0.00 55.95 58.13 2w3a s SER 3 Cb 0.20 1.04 -0.05 0.00 -1.71 0.00 0.00 66.02 65.50 2w3a s SER 3 CO 0.40 -0.30 -0.21 -0.76 1.20 0.00 0.00 173.24 173.57 2w3a s LEU 4 N -0.08 2.50 -0.03 3.45 1.43 -1.10 -4.64 118.68 120.21 2w3a s LEU 4 Ca -0.01 -0.94 0.06 0.00 -1.03 0.00 0.00 54.13 52.21 2w3a s LEU 4 Cb -0.04 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 2w3a s LEU 4 CO 0.01 0.06 -0.21 0.20 0.23 0.00 0.00 176.35 176.64 2w3a s ASN 5 N -3.02 2.46 0.06 2.29 0.01 -0.59 -1.99 114.94 114.17 2w3a s ASN 5 Ca 0.24 -0.39 0.04 0.00 -0.71 0.00 0.00 52.86 52.04 2w3a s ASN 5 Cb -0.06 -0.40 -0.04 0.00 0.41 0.00 0.00 41.25 41.16 2w3a s ASN 5 CO 0.11 0.24 -0.00 0.00 -1.51 0.00 0.00 177.10 175.94 2w3a s ILE 7 N -1.25 0.08 0.05 0.00 2.07 -0.81 -0.59 121.20 120.75 2w3a s ILE 7 Ca 0.24 0.12 -0.18 0.00 -1.41 0.00 0.00 60.65 59.42 2w3a s ILE 7 Cb -0.12 -0.18 0.04 0.00 0.13 0.00 0.00 42.46 42.33 2w3a s ILE 7 CO 0.16 0.11 0.41 0.54 -1.91 0.00 0.00 174.94 174.25 2w3a s VAL 8 N 0.94 0.06 -0.07 4.00 0.11 -0.49 -4.59 120.40 120.36 2w3a s VAL 8 Ca -0.09 -0.47 0.05 0.00 -2.93 0.00 0.00 61.98 58.55 2w3a s VAL 8 Cb -0.12 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.76 2w3a s VAL 8 CO -0.02 -0.26 -0.24 0.00 -3.33 0.00 0.00 175.10 171.25 2w3a s ALA 9 N -2.50 2.20 -0.00 1.54 0.00 -1.26 -0.98 121.76 120.75 2w3a s ALA 9 Ca -0.05 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.90 2w3a s ALA 9 Cb -0.01 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.38 2w3a s ALA 9 CO -0.03 0.39 -0.03 0.54 0.00 0.00 0.00 175.76 176.63 2w3a s VAL 10 N -0.06 0.28 0.84 0.00 0.11 -0.14 -4.63 120.40 116.80 2w3a s VAL 10 Ca -0.07 -0.14 -0.13 0.00 -2.93 0.00 0.00 61.98 58.71 2w3a s VAL 10 Cb -0.15 -0.24 0.10 0.00 -1.53 0.00 0.00 36.38 34.56 2w3a s VAL 10 CO 0.05 0.08 1.20 -0.94 -3.33 0.00 0.00 175.10 172.16 2w3a s SER 11 N -0.04 4.21 0.38 3.54 1.04 -0.46 -0.40 113.70 121.97 2w3a s SER 11 Ca 0.01 0.70 0.06 0.00 0.48 0.00 0.00 55.95 57.19 2w3a s SER 11 Cb -0.02 -1.11 0.78 0.00 0.10 0.00 0.00 66.02 65.77 2w3a s SER 11 CO -0.00 -2.09 2.02 -0.61 0.98 0.00 0.00 173.24 173.54 2w3a h GLN 12 N -1.18 0.66 -0.78 4.02 4.15 -0.90 -0.67 115.11 120.41 2w3a h GLN 12 Ca -0.46 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.92 2w3a h GLN 12 Cb 1.31 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.85 2w3a h GLN 12 CO 0.61 0.44 0.00 0.27 -1.93 0.00 0.00 178.83 178.21 2w3a n ASN 13 N -4.46 1.88 -1.07 -0.69 6.94 -1.26 -4.90 115.26 111.70 2w3a n ASN 13 Ca 0.06 -2.18 -0.14 0.00 -0.02 0.00 0.00 54.58 52.30 2w3a n ASN 13 Cb 0.10 -0.47 -0.06 0.00 -2.36 0.00 0.00 39.78 36.99 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 0.12 -1.04 -2.56 -3.83 2.81 -0.26 -4.98 117.12 107.38 2w3a n MET 14 Ca 0.06 0.98 -0.40 0.00 -1.81 0.00 0.00 57.70 56.53 2w3a n MET 14 Cb 0.41 -5.10 -0.05 0.00 -0.71 0.00 0.00 33.22 27.77 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 -2.80 3.08 0.00 3.03 0.00 -1.26 -0.90 107.32 108.47 2w3a s GLY 15 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.53 2w3a s GLY 15 CO 0.00 1.40 0.00 0.29 0.00 0.00 0.00 173.10 174.79 2w3a n ILE 16 N 1.25 0.00 -3.62 0.90 -5.35 0.11 -1.35 119.36 111.30 2w3a n ILE 16 Ca -0.01 -0.27 -0.12 0.00 -0.27 0.00 0.00 62.75 62.08 2w3a n ILE 16 Cb 0.46 0.84 -0.05 0.00 -1.74 0.00 0.00 39.64 39.14 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 -0.89 -0.32 -0.20 3.28 0.00 -1.11 -4.52 107.32 103.56 2w3a s GLY 17 Ca 0.00 0.20 -0.08 0.00 0.00 0.00 0.00 44.72 44.84 2w3a s GLY 17 CO 0.00 -0.07 0.43 1.25 0.00 0.00 0.00 173.10 174.71 2w3a s LYS 18 N -3.18 0.36 -1.46 2.90 2.47 -0.08 -0.90 119.74 119.84 2w3a s LYS 18 Ca -0.01 0.99 -0.08 0.00 -1.56 0.00 0.00 55.97 55.30 2w3a s LYS 18 Cb 0.00 0.25 0.04 0.00 -1.46 0.00 0.00 37.83 36.66 2w3a s LYS 18 CO -0.07 -0.22 0.80 0.09 0.16 0.00 0.00 175.35 176.10 2w3a n ASN 19 N 5.07 -5.50 -0.16 1.43 3.02 -1.26 -1.97 115.26 115.90 2w3a n ASN 19 Ca -0.13 -0.46 -0.02 0.00 -0.03 0.00 0.00 54.58 53.94 2w3a n ASN 19 Cb 0.51 -4.41 -0.01 0.00 -0.61 0.00 0.00 39.78 35.26 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 -1.61 0.55 1.96 7.41 0.00 -1.26 -5.01 105.19 107.24 2w3a n GLY 20 Ca -0.04 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 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 0.85 -0.77 -4.79 1.61 -0.08 -0.83 -4.70 116.55 107.84 2w3a n ASP 21 Ca -0.02 -2.12 -0.35 0.00 -1.51 0.00 0.00 54.79 50.79 2w3a n ASP 21 Cb 0.10 1.46 -0.03 0.00 2.34 0.00 0.00 41.12 44.98 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 3.96 0.55 -2.67 1.43 -1.26 -0.90 118.68 119.79 2w3a s LEU 22 Ca 0.17 2.04 0.33 0.00 -1.03 0.00 0.00 54.13 55.64 2w3a s LEU 22 Cb -0.00 -4.39 1.41 0.00 0.03 0.00 0.00 46.19 43.24 2w3a s LEU 22 CO 0.12 -0.74 2.00 -0.65 0.23 0.00 0.00 176.35 177.32 2w3a h PRO 23 N 1.92 0.00 -6.15 1.29 0.11 -1.84 -3.41 132.00 123.93 2w3a h PRO 23 Ca -0.49 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.06 2w3a h PRO 23 Cb 1.23 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.24 2w3a h PRO 23 CO 0.60 0.03 -0.62 1.67 -0.21 0.00 0.00 178.00 179.47 2w3a s TRP 24 N -3.73 2.65 0.84 0.65 -2.14 -1.26 -4.78 118.94 111.18 2w3a s TRP 24 Ca 0.00 -0.30 -0.11 0.00 2.66 0.00 0.00 56.10 58.36 2w3a s TRP 24 Cb 0.10 -1.32 0.10 0.00 -3.10 0.00 0.00 33.47 29.25 2w3a s TRP 24 CO 0.55 0.55 1.15 -2.14 -2.66 0.00 0.00 176.95 174.39 2w3a s PRO 25 N -3.71 1.50 0.14 3.25 0.02 -1.26 -4.90 135.00 130.04 2w3a s PRO 25 Ca 0.33 1.54 -0.32 0.00 0.02 0.00 0.00 61.00 62.57 2w3a s PRO 25 Cb -0.04 -1.78 -0.12 0.00 0.02 0.00 0.00 34.50 32.58 2w3a s PRO 25 CO 0.20 -2.28 1.76 -2.30 -0.33 0.00 0.00 177.00 174.05 2w3a n PRO 26 N -3.74 2.63 -3.74 5.54 -0.02 -1.26 -4.97 135.00 129.44 2w3a n PRO 26 Ca 0.12 0.95 -0.38 0.00 -2.02 0.00 0.00 63.50 62.18 2w3a n PRO 26 Cb 0.52 -2.81 -0.12 0.00 -0.02 0.00 0.00 33.50 31.07 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 2.00 4.65 0.11 2.45 1.43 -1.26 -4.98 118.68 123.08 2w3a s LEU 27 Ca 0.80 -1.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.32 2w3a s LEU 27 Cb -0.54 -1.87 -0.07 0.00 0.03 0.00 0.00 46.19 43.75 2w3a s LEU 27 CO 0.37 -0.41 1.47 0.03 0.23 0.00 0.00 176.35 178.03 2w3a h ARG 28 N 8.20 0.69 -0.00 1.70 2.47 -1.98 -1.13 114.38 124.33 2w3a h ARG 28 Ca -0.21 -0.32 -0.12 0.00 -1.26 0.00 0.00 59.98 58.08 2w3a h ARG 28 Cb 1.07 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.36 2w3a h ARG 28 CO 0.65 0.92 -0.58 -0.91 0.56 0.00 0.00 179.97 180.61 2w3a h ASN 29 N 0.46 0.00 -0.47 7.04 2.35 -1.98 -0.97 115.58 122.00 2w3a h ASN 29 Ca 0.07 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2w3a h ASN 29 Cb 0.72 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 2w3a h ASN 29 CO 0.05 0.58 0.21 -0.08 -1.65 0.00 0.00 177.43 176.54 2w3a h GLU 30 N 0.00 0.69 -0.33 0.81 4.22 -1.91 -0.82 114.58 117.24 2w3a h GLU 30 Ca -0.01 -0.11 0.01 0.00 0.08 0.00 0.00 59.36 59.32 2w3a h GLU 30 Cb 1.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2w3a h GLU 30 CO 0.08 0.61 0.21 0.74 -2.18 0.00 0.00 179.01 178.46 2w3a h PHE 31 N 0.62 0.40 -0.50 0.92 0.05 -1.04 -1.92 116.94 115.46 2w3a h PHE 31 Ca 0.16 0.01 0.05 0.00 3.82 0.00 0.00 57.97 62.01 2w3a h PHE 31 Cb 0.16 -0.13 -0.03 0.00 2.00 0.00 0.00 35.95 37.95 2w3a h PHE 31 CO -0.00 0.25 0.34 0.00 -0.18 0.00 0.00 178.31 178.71 2w3a h ARG 32 N 0.43 0.48 -0.04 1.51 3.08 -0.94 0.21 114.38 119.10 2w3a h ARG 32 Ca 0.12 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 2w3a h ARG 32 Cb -0.04 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 2w3a h ARG 32 CO -0.03 0.32 0.01 -0.92 -1.07 0.00 0.00 179.97 178.27 2w3a h TYR 33 N 0.49 0.07 -0.60 3.04 3.20 -0.73 0.06 116.97 122.50 2w3a h TYR 33 Ca 0.21 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.18 2w3a h TYR 33 Cb 0.22 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.39 2w3a h TYR 33 CO -0.00 0.31 0.15 0.35 -1.64 0.00 0.00 178.16 177.33 2w3a h PHE 34 N -0.18 0.24 0.00 -3.82 3.57 -0.65 -0.35 116.94 115.75 2w3a h PHE 34 Ca 0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2w3a h PHE 34 Cb 0.27 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.00 2w3a h PHE 34 CO 0.02 -0.00 -0.00 0.37 -2.23 0.00 0.00 178.31 176.46 2w3a h GLN 35 N 0.29 -0.01 -0.19 1.11 4.15 -0.83 -1.78 115.11 117.86 2w3a h GLN 35 Ca 0.31 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.75 2w3a h GLN 35 Cb 0.45 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 2w3a h GLN 35 CO -0.38 0.12 0.05 -0.09 -1.93 0.00 0.00 178.83 176.60 2w3a h ARG 36 N -0.13 0.13 -0.36 1.69 2.43 -0.59 0.64 114.38 118.19 2w3a h ARG 36 Ca -0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2w3a h ARG 36 Cb 0.13 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2w3a h ARG 36 CO 0.00 0.09 0.12 0.52 -1.51 0.00 0.00 179.97 179.19 2w3a h MET 37 N 0.14 0.56 0.00 0.20 2.86 -1.04 -1.91 114.93 115.73 2w3a h MET 37 Ca 0.08 -0.12 -0.13 0.00 -2.06 0.00 0.00 59.70 57.47 2w3a h MET 37 Cb 0.06 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 2w3a h MET 37 CO -0.09 0.57 -0.62 1.79 1.06 0.00 0.00 176.91 179.61 2w3a h THR 38 N 0.44 1.14 0.04 2.22 1.35 -1.18 -3.35 112.91 113.57 2w3a h THR 38 Ca 0.12 -2.41 -0.33 0.00 -0.55 0.00 0.00 66.41 63.24 2w3a h THR 38 Cb 0.24 2.43 -0.04 0.00 -1.73 0.00 0.00 68.15 69.04 2w3a h THR 38 CO -0.00 0.61 -1.93 0.41 -0.25 0.00 0.00 175.52 174.35 2w3a n THR 39 N -3.36 1.64 -2.11 6.82 -1.04 0.21 -4.71 114.28 111.73 2w3a n THR 39 Ca 0.01 -0.74 -0.42 0.00 -2.04 0.00 0.00 64.05 60.86 2w3a n THR 39 Cb 0.74 -1.25 -0.03 0.00 -1.82 0.00 0.00 70.33 67.97 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 -2.57 3.63 -0.04 12.58 2.01 -0.73 -4.65 115.64 125.88 2w3a s THR 40 Ca -0.14 0.90 -0.00 0.00 0.31 0.00 0.00 61.69 62.76 2w3a s THR 40 Cb 0.07 -3.58 0.03 0.00 0.01 0.00 0.00 72.50 69.03 2w3a s THR 40 CO 0.79 -0.05 0.00 -0.55 -0.69 0.00 0.00 174.62 174.13 2w3a s SER 41 N 2.60 0.72 0.00 3.53 0.15 -1.26 -4.94 113.70 114.50 2w3a s SER 41 Ca 0.68 -0.03 0.17 0.00 0.70 0.00 0.00 55.95 57.47 2w3a s SER 41 Cb -0.32 -0.26 0.50 0.00 -1.71 0.00 0.00 66.02 64.23 2w3a s SER 41 CO 0.27 -0.13 1.40 -1.54 1.20 0.00 0.00 173.24 174.44 2w3a n SER 42 N 4.42 2.25 -4.55 5.45 3.41 -1.26 -4.86 113.62 118.48 2w3a n SER 42 Ca -0.21 -1.91 -0.42 0.00 -0.26 0.00 0.00 58.87 56.07 2w3a n SER 42 Cb 0.50 -0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.54 4.90 0.27 -3.33 1.01 -1.26 -5.03 120.40 115.42 2w3a s VAL 43 Ca 0.31 0.36 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 2w3a s VAL 43 Cb 0.17 -4.10 -0.11 0.00 0.00 0.00 0.00 36.38 32.35 2w3a s VAL 43 CO 0.23 -0.39 1.51 -0.70 0.00 0.00 0.00 175.10 175.75 2w3a s GLU 44 N 2.67 4.20 0.00 2.72 2.12 -1.26 -2.59 118.70 126.56 2w3a s GLU 44 Ca 0.22 2.43 0.00 0.00 0.36 0.00 0.00 54.97 57.98 2w3a s GLU 44 Cb -0.15 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.17 2w3a s GLU 44 CO 0.16 -0.52 0.00 0.41 -0.54 0.00 0.00 175.26 174.77 2w3a n GLY 45 N 2.21 1.07 3.45 -1.50 0.00 -1.26 -5.05 105.19 104.11 2w3a n GLY 45 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.56 1.62 0.21 1.61 1.02 -1.07 -4.73 119.74 117.84 2w3a s LYS 46 Ca 0.00 -1.70 0.06 0.00 0.02 0.00 0.00 55.97 54.35 2w3a s LYS 46 Cb 0.00 -1.75 -0.05 0.00 -0.52 0.00 0.00 37.83 35.51 2w3a s LYS 46 CO 0.00 0.34 -0.10 -0.65 -0.92 0.00 0.00 175.35 174.02 2w3a s GLN 47 N -3.31 1.30 0.45 1.68 -0.21 -0.01 -4.86 119.66 114.69 2w3a s GLN 47 Ca 0.27 -1.60 -0.12 0.00 0.02 0.00 0.00 55.36 53.93 2w3a s GLN 47 Cb -0.05 -0.92 -0.07 0.00 1.00 0.00 0.00 33.01 32.96 2w3a s GLN 47 CO 0.13 0.09 0.85 -0.80 -2.12 0.00 0.00 175.29 173.44 2w3a s ASN 48 N -3.30 6.55 -0.15 5.90 0.01 -1.26 -0.34 114.94 122.35 2w3a s ASN 48 Ca 0.23 1.28 -0.04 0.00 -0.71 0.00 0.00 52.86 53.62 2w3a s ASN 48 Cb 0.02 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 39.26 2w3a s ASN 48 CO 0.06 -0.47 -0.03 -0.22 -1.51 0.00 0.00 177.10 174.92 2w3a s LEU 49 N -3.96 3.27 -0.14 0.60 2.96 -0.12 -0.93 118.68 120.36 2w3a s LEU 49 Ca 0.54 -0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 54.30 2w3a s LEU 49 Cb -0.10 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 2w3a s LEU 49 CO 0.32 0.18 -0.04 0.68 -1.32 0.00 0.00 176.35 176.17 2w3a s VAL 50 N 0.32 3.93 -0.10 1.68 -7.23 -0.05 -0.77 120.40 118.17 2w3a s VAL 50 Ca -0.04 -0.36 0.02 0.00 -1.81 0.00 0.00 61.98 59.80 2w3a s VAL 50 Cb -0.14 -2.70 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 2w3a s VAL 50 CO 0.03 0.52 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.54 2w3a s ILE 51 N 0.09 2.76 0.07 -0.62 1.01 -0.13 -1.16 121.20 123.22 2w3a s ILE 51 Ca -0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 59.72 2w3a s ILE 51 Cb -0.13 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.25 2w3a s ILE 51 CO 0.03 0.55 0.31 0.00 0.00 0.00 0.00 174.94 175.83 2w3a s MET 52 N 0.09 0.89 0.90 2.79 0.23 -0.84 -1.53 119.30 121.82 2w3a s MET 52 Ca -0.07 -0.63 -0.13 0.00 -1.03 0.00 0.00 55.69 53.82 2w3a s MET 52 Cb -0.15 0.38 0.13 0.00 -1.53 0.00 0.00 34.83 33.67 2w3a s MET 52 CO 0.05 -0.30 1.17 0.20 -2.03 0.00 0.00 175.02 174.10 2w3a s GLY 53 N -2.40 1.60 0.15 3.16 0.00 0.10 -0.82 107.32 109.11 2w3a s GLY 53 Ca -0.01 -0.66 -0.10 0.00 0.00 0.00 0.00 44.72 43.95 2w3a s GLY 53 CO -0.07 -0.08 1.51 1.70 0.00 0.00 0.00 173.10 176.16 2w3a h LYS 54 N -1.44 0.97 -0.60 2.90 3.64 -1.90 -1.77 116.57 118.36 2w3a h LYS 54 Ca -0.48 -0.46 -0.05 0.00 -1.27 0.00 0.00 60.65 58.38 2w3a h LYS 54 Cb 1.32 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 2w3a h LYS 54 CO 0.59 1.13 0.16 0.87 -2.27 0.00 0.00 179.45 179.93 2w3a h LYS 55 N 0.81 0.92 -0.56 1.90 1.57 -1.94 -1.57 116.57 117.71 2w3a h LYS 55 Ca 0.09 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 2w3a h LYS 55 Cb 0.89 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 2w3a h LYS 55 CO 0.08 0.81 0.18 1.15 -0.57 0.00 0.00 179.45 181.10 2w3a h THR 56 N 0.89 1.24 -0.19 -0.16 2.02 -1.83 -1.40 112.91 113.48 2w3a h THR 56 Ca 0.20 -0.80 0.05 0.00 0.77 0.00 0.00 66.41 66.62 2w3a h THR 56 Cb 0.29 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 2w3a h THR 56 CO -0.00 0.30 -0.11 -0.25 0.37 0.00 0.00 175.52 175.83 2w3a h TRP 57 N 0.78 -0.26 0.00 3.16 2.91 -0.83 -2.08 115.95 119.63 2w3a h TRP 57 Ca 0.18 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.22 2w3a h TRP 57 Cb 0.28 0.14 0.00 0.00 -0.51 0.00 0.00 29.16 29.07 2w3a h TRP 57 CO 0.02 -0.17 0.00 0.74 -1.03 0.00 0.00 178.44 178.00 2w3a h PHE 58 N -0.10 0.00 0.00 2.65 0.04 -1.17 -2.00 116.94 116.36 2w3a h PHE 58 Ca 0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.88 2w3a h PHE 58 Cb 0.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 2w3a h PHE 58 CO -0.26 0.00 0.00 -1.13 -0.60 0.00 0.00 178.31 176.32 2w3a n SER 59 N -2.42 0.36 -4.77 2.17 3.41 -0.54 -4.78 113.62 107.05 2w3a n SER 59 Ca 0.02 0.56 -0.39 0.00 -0.26 0.00 0.00 58.87 58.80 2w3a n SER 59 Cb 0.28 -0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 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 -3.09 4.39 0.33 -1.33 1.01 -0.76 -4.93 121.20 116.82 2w3a s ILE 60 Ca 0.09 1.71 -0.29 0.00 0.00 0.00 0.00 60.65 62.16 2w3a s ILE 60 Cb 0.13 -4.14 -0.11 0.00 0.01 0.00 0.00 42.46 38.35 2w3a s ILE 60 CO 0.46 0.51 1.55 -2.84 0.00 0.00 0.00 174.94 174.62 2w3a s PRO 61 N -1.06 4.11 0.26 2.79 0.02 -1.26 -4.88 135.00 134.97 2w3a s PRO 61 Ca 0.36 2.58 -0.01 0.00 0.02 0.00 0.00 61.00 63.95 2w3a s PRO 61 Cb -0.23 -3.00 0.56 0.00 0.02 0.00 0.00 34.50 31.85 2w3a s PRO 61 CO 0.26 -0.59 1.72 1.49 -0.33 0.00 0.00 177.00 179.54 2w3a h GLU 62 N 4.02 0.42 0.00 5.54 4.81 -1.93 0.90 114.58 128.33 2w3a h GLU 62 Ca -0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2w3a h GLU 62 Cb 1.23 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2w3a h GLU 62 CO 0.73 0.28 0.00 0.36 -0.73 0.00 0.00 179.01 179.64 2w3a n LYS 63 N -5.02 0.05 0.00 1.92 2.85 -1.26 -1.99 118.16 114.71 2w3a n LYS 63 Ca 0.17 0.32 0.08 0.00 -1.05 0.00 0.00 58.31 57.83 2w3a n LYS 63 Cb 0.50 -1.61 0.02 0.00 -0.65 0.00 0.00 35.03 33.29 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 -1.71 1.89 -4.79 -5.58 4.13 0.28 -4.97 115.26 104.51 2w3a n ASN 64 Ca 0.03 -1.44 -0.37 0.00 1.68 0.00 0.00 54.58 54.48 2w3a n ASN 64 Cb 0.17 0.34 -0.07 0.00 -1.54 0.00 0.00 39.78 38.69 2w3a n ASN 64 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2w3a s ARG 65 N -1.83 3.99 0.77 3.52 0.52 -0.84 -3.17 118.95 121.91 2w3a s ARG 65 Ca 0.16 0.09 -0.11 0.00 -0.52 0.00 0.00 55.73 55.35 2w3a s ARG 65 Cb 0.14 -3.32 0.06 0.00 0.52 0.00 0.00 34.95 32.34 2w3a s ARG 65 CO 0.37 0.47 1.09 -1.25 0.02 0.00 0.00 175.30 175.99 2w3a s PRO 66 N -0.23 2.26 -0.07 3.54 0.04 -1.26 -4.97 135.00 134.31 2w3a s PRO 66 Ca 0.17 1.06 -0.33 0.00 0.04 0.00 0.00 61.00 61.95 2w3a s PRO 66 Cb -0.13 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 2w3a s PRO 66 CO 0.06 -1.61 1.94 1.28 0.04 0.00 0.00 177.00 178.71 2w3a n LEU 67 N -3.49 3.61 -4.77 -3.56 4.77 -1.19 -4.91 117.00 107.47 2w3a n LEU 67 Ca 0.08 0.90 -0.39 0.00 -0.03 0.00 0.00 56.01 56.58 2w3a n LEU 67 Cb 0.53 -1.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.20 2w3a n LEU 67 CO 0.54 -0.03 0.92 -0.54 -1.33 0.00 0.00 177.39 176.95 2w3a s LYS 68 N 4.39 3.82 0.00 3.23 1.02 -1.26 -3.25 119.74 127.68 2w3a s LYS 68 Ca 0.93 2.03 0.00 0.00 0.02 0.00 0.00 55.97 58.95 2w3a s LYS 68 Cb -0.61 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 2w3a s LYS 68 CO 0.48 -0.58 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 2w3a n GLY 69 N 0.62 0.46 3.10 -3.33 0.00 -1.26 -4.98 105.19 99.79 2w3a n GLY 69 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.44 0.66 -0.15 1.61 0.52 -1.20 -4.50 118.95 115.44 2w3a s ARG 70 Ca 0.00 -0.78 -0.27 0.00 -0.52 0.00 0.00 55.73 54.16 2w3a s ARG 70 Cb 0.00 -0.54 -0.01 0.00 0.52 0.00 0.00 34.95 34.92 2w3a s ARG 70 CO 0.00 0.12 0.91 0.42 0.02 0.00 0.00 175.30 176.77 2w3a s ILE 71 N -1.19 4.83 -0.26 1.52 1.01 -0.11 -4.80 121.20 122.19 2w3a s ILE 71 Ca -0.05 1.81 -0.09 0.00 0.00 0.00 0.00 60.65 62.32 2w3a s ILE 71 Cb -0.09 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 2w3a s ILE 71 CO 0.01 0.00 0.12 0.20 0.00 0.00 0.00 174.94 175.27 2w3a s ASN 72 N 1.13 5.51 -0.13 3.58 0.02 -1.26 -0.87 114.94 122.92 2w3a s ASN 72 Ca 0.42 -0.12 0.03 0.00 -1.02 0.00 0.00 52.86 52.18 2w3a s ASN 72 Cb -0.17 -2.01 0.01 0.00 0.02 0.00 0.00 41.25 39.10 2w3a s ASN 72 CO 0.14 -0.03 -0.23 -0.22 0.02 0.00 0.00 177.10 176.78 2w3a s LEU 73 N 1.63 2.10 -0.11 0.60 0.20 -0.31 -1.65 118.68 121.15 2w3a s LEU 73 Ca 0.07 -0.59 -0.04 0.00 0.69 0.00 0.00 54.13 54.25 2w3a s LEU 73 Cb -0.15 -1.44 -0.04 0.00 -0.43 0.00 0.00 46.19 44.13 2w3a s LEU 73 CO 0.07 0.10 0.05 -0.69 -0.29 0.00 0.00 176.35 175.59 2w3a s VAL 74 N 0.69 4.76 -0.10 1.68 1.01 -0.57 -2.00 120.40 125.87 2w3a s VAL 74 Ca -0.10 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 2w3a s VAL 74 Cb -0.16 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 2w3a s VAL 74 CO 0.01 0.59 0.49 -0.76 0.00 0.00 0.00 175.10 175.42 2w3a s LEU 75 N -0.71 4.30 -0.23 3.92 1.43 -0.01 -1.72 118.68 125.66 2w3a s LEU 75 Ca 0.12 0.86 -0.26 0.00 -1.03 0.00 0.00 54.13 53.83 2w3a s LEU 75 Cb -0.12 -2.72 0.07 0.00 0.03 0.00 0.00 46.19 43.46 2w3a s LEU 75 CO 0.02 0.03 0.70 -0.55 0.23 0.00 0.00 176.35 176.79 2w3a s SER 76 N 0.43 -0.72 0.25 2.29 0.15 -0.87 -3.29 113.70 111.94 2w3a s SER 76 Ca 0.27 1.31 0.23 0.00 0.70 0.00 0.00 55.95 58.45 2w3a s SER 76 Cb -0.16 1.30 0.12 0.00 -1.71 0.00 0.00 66.02 65.57 2w3a s SER 76 CO 0.11 -0.30 1.21 0.03 1.20 0.00 0.00 173.24 175.49 2w3a h ARG 77 N 4.69 0.00 0.00 5.44 3.08 -1.85 -3.37 114.38 122.37 2w3a h ARG 77 Ca -0.29 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.43 2w3a h ARG 77 Cb 1.16 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.15 2w3a h ARG 77 CO 0.11 0.00 -2.27 0.39 -1.07 0.00 0.00 179.97 177.13 2w3a n GLU 78 N -2.72 0.85 -1.85 0.04 -0.58 -1.26 -4.98 120.64 110.14 2w3a n GLU 78 Ca 0.01 0.05 -0.33 0.00 -0.42 0.00 0.00 57.16 56.47 2w3a n GLU 78 Cb 0.53 -1.46 0.04 0.00 -0.57 0.00 0.00 31.44 29.98 2w3a n GLU 78 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2w3a s LEU 79 N -5.77 3.46 -0.01 -4.62 1.43 -1.26 -4.96 118.68 106.94 2w3a s LEU 79 Ca -0.19 2.05 0.12 0.00 -1.03 0.00 0.00 54.13 55.08 2w3a s LEU 79 Cb 0.06 -4.56 -0.18 0.00 0.03 0.00 0.00 46.19 41.55 2w3a s LEU 79 CO 0.65 -1.57 0.28 2.29 0.23 0.00 0.00 176.35 178.23 2w3a n LYS 80 N -2.20 0.59 -4.09 1.70 -0.00 -1.26 -5.00 118.16 107.89 2w3a n LYS 80 Ca 0.11 -0.10 -0.08 0.00 -0.00 0.00 0.00 58.31 58.24 2w3a n LYS 80 Cb 0.52 -1.26 -0.10 0.00 -0.00 0.00 0.00 35.03 34.18 2w3a n LYS 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2w3a s GLU 81 N -2.76 0.60 0.69 -1.58 -1.05 -1.26 -5.08 118.70 108.26 2w3a s GLU 81 Ca -0.04 -1.15 -0.17 0.00 -0.15 0.00 0.00 54.97 53.46 2w3a s GLU 81 Cb 0.08 0.15 0.02 0.00 -0.44 0.00 0.00 34.13 33.93 2w3a s GLU 81 CO 0.49 -0.09 1.26 -2.30 0.95 0.00 0.00 175.26 175.58 2w3a n PRO 82 N 0.29 0.85 -1.03 -4.83 -0.02 -1.26 -4.94 135.00 124.06 2w3a n PRO 82 Ca -0.15 0.35 -0.33 0.00 -2.02 0.00 0.00 63.50 61.35 2w3a n PRO 82 Cb 0.60 -2.50 0.13 0.00 -0.02 0.00 0.00 33.50 31.71 2w3a n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2w3a n PRO 83 N -2.29 0.06 -1.67 0.52 -0.02 -1.26 -4.83 135.00 125.51 2w3a n PRO 83 Ca 0.15 0.10 -0.45 0.00 -2.02 0.00 0.00 63.50 61.28 2w3a n PRO 83 Cb 0.49 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 2w3a n PRO 83 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2w3a n GLN 84 N -3.26 2.56 0.00 -0.52 -0.06 -1.26 -1.45 117.38 113.40 2w3a n GLN 84 Ca 0.13 0.94 0.00 0.00 -2.00 0.00 0.00 57.00 56.07 2w3a n GLN 84 Cb 0.51 -2.84 0.00 0.00 -4.06 0.00 0.00 30.24 23.84 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 4.47 3.32 3.85 1.69 0.00 -1.26 -4.91 105.19 112.34 2w3a n GLY 85 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.90 2.96 -0.16 4.61 0.00 -0.53 -4.05 121.76 121.68 2w3a s ALA 86 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 51.96 52.09 2w3a s ALA 86 Cb 0.00 -3.12 -0.23 0.00 0.00 0.00 0.00 23.12 19.77 2w3a s ALA 86 CO 0.00 -0.73 0.19 0.72 0.00 0.00 0.00 175.76 175.94 2w3a n HIS 87 N -2.52 0.49 -3.92 0.00 -0.00 -0.66 -4.83 115.22 103.78 2w3a n HIS 87 Ca 0.07 0.14 -0.09 0.00 -0.00 0.00 0.00 57.72 57.83 2w3a n HIS 87 Cb 0.54 -1.08 -0.09 0.00 -0.00 0.00 0.00 29.99 29.36 2w3a n HIS 87 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2w3a s PHE 88 N -2.54 0.19 -0.02 4.41 0.08 -1.03 -4.96 117.98 114.11 2w3a s PHE 88 Ca -0.18 -0.50 0.02 0.00 0.12 0.00 0.00 56.93 56.39 2w3a s PHE 88 Cb 0.07 -0.13 0.01 0.00 -0.57 0.00 0.00 43.02 42.40 2w3a s PHE 88 CO 0.76 -0.38 -0.07 -1.17 -0.10 0.00 0.00 175.22 174.26 2w3a s LEU 89 N -2.17 1.75 0.03 -0.37 2.96 -1.26 -1.52 118.68 118.10 2w3a s LEU 89 Ca -0.04 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 2w3a s LEU 89 Cb -0.01 -0.42 -0.02 0.00 0.50 0.00 0.00 46.19 46.24 2w3a s LEU 89 CO -0.05 0.04 -0.05 -0.55 -1.32 0.00 0.00 176.35 174.42 2w3a s SER 90 N 0.24 0.48 0.23 3.68 0.15 -0.70 -4.97 113.70 112.82 2w3a s SER 90 Ca -0.03 -0.49 0.26 0.00 0.70 0.00 0.00 55.95 56.38 2w3a s SER 90 Cb -0.08 0.07 0.74 0.00 -1.71 0.00 0.00 66.02 65.05 2w3a s SER 90 CO 0.00 -0.24 1.74 0.03 1.20 0.00 0.00 173.24 175.97 2w3a h ARG 91 N 4.67 0.00 -2.64 5.44 2.47 -1.89 -2.31 114.38 120.13 2w3a h ARG 91 Ca -0.33 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 58.51 2w3a h ARG 91 Cb 1.21 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.46 2w3a h ARG 91 CO 0.41 0.00 0.37 -1.54 0.56 0.00 0.00 179.97 179.77 2w3a s SER 92 N -4.71 -0.23 0.05 7.04 1.04 -1.26 -4.67 113.70 110.97 2w3a s SER 92 Ca 0.10 -0.47 -0.23 0.00 0.48 0.00 0.00 55.95 55.84 2w3a s SER 92 Cb 0.12 0.59 -0.15 0.00 0.10 0.00 0.00 66.02 66.68 2w3a s SER 92 CO 0.61 -1.09 1.51 0.25 0.98 0.00 0.00 173.24 175.50 2w3a h LEU 93 N 2.00 0.13 -0.75 2.42 5.85 -1.99 -1.21 115.31 121.76 2w3a h LEU 93 Ca -0.22 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.35 2w3a h LEU 93 Cb 1.24 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 42.16 2w3a h LEU 93 CO 0.25 0.36 0.36 -0.78 -0.34 0.00 0.00 178.44 178.29 2w3a h ASP 94 N -0.11 0.44 -0.72 1.25 3.58 -2.00 -1.23 116.42 117.64 2w3a h ASP 94 Ca 0.02 0.08 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 2w3a h ASP 94 Cb 0.29 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 2w3a h ASP 94 CO 0.00 0.23 0.21 0.44 -2.88 0.00 0.00 179.24 177.24 2w3a h ASP 95 N 0.58 1.07 -0.61 2.28 3.32 -1.93 -2.19 116.42 118.93 2w3a h ASP 95 Ca 0.38 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2w3a h ASP 95 Cb 0.47 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2w3a h ASP 95 CO -0.31 1.00 0.40 0.00 -1.72 0.00 0.00 179.24 178.61 2w3a h ALA 96 N 1.10 0.78 -0.21 3.45 0.00 -0.14 -1.30 119.26 122.95 2w3a h ALA 96 Ca 0.23 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2w3a h ALA 96 Cb 0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2w3a h ALA 96 CO -0.00 0.22 -0.45 -0.07 0.00 0.00 0.00 179.25 178.94 2w3a h LEU 97 N 0.83 0.57 -0.93 0.00 3.38 -1.14 -2.58 115.31 115.44 2w3a h LEU 97 Ca 0.22 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2w3a h LEU 97 Cb -0.08 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2w3a h LEU 97 CO -0.05 0.94 -0.01 0.11 0.09 0.00 0.00 178.44 179.53 2w3a h LYS 98 N 0.43 0.77 -0.70 1.13 1.57 -1.23 -2.69 116.57 115.85 2w3a h LYS 98 Ca 0.03 -0.21 0.07 0.00 -1.87 0.00 0.00 60.65 58.68 2w3a h LYS 98 Cb 0.96 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 2w3a h LYS 98 CO 0.09 0.78 0.46 1.25 -0.57 0.00 0.00 179.45 181.46 2w3a h LEU 99 N 0.72 0.60 -2.31 2.94 5.85 -0.83 -1.54 115.31 120.74 2w3a h LEU 99 Ca 0.14 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2w3a h LEU 99 Cb 0.45 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 2w3a h LEU 99 CO 0.02 0.38 -0.00 0.71 -0.34 0.00 0.00 178.44 179.20 2w3a h THR 100 N 0.67 0.02 -0.00 1.05 1.35 -1.34 -2.23 112.91 112.43 2w3a h THR 100 Ca 0.31 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 2w3a h THR 100 Cb 0.34 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 2w3a h THR 100 CO -0.10 0.00 -0.34 -0.62 -0.25 0.00 0.00 175.52 174.21 2w3a n GLU 101 N -3.11 0.48 -2.07 4.72 1.02 -0.58 -3.41 120.64 117.69 2w3a n GLU 101 Ca -0.01 -0.27 -0.28 0.00 -0.02 0.00 0.00 57.16 56.57 2w3a n GLU 101 Cb 0.18 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.16 2w3a n GLU 101 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2w3a s GLN 102 N -2.71 2.49 0.15 3.49 -1.52 -0.84 -4.70 119.66 116.02 2w3a s GLN 102 Ca 0.19 0.11 -0.19 0.00 -1.95 0.00 0.00 55.36 53.52 2w3a s GLN 102 Cb 0.19 -2.09 0.05 0.00 -0.22 0.00 0.00 33.01 30.93 2w3a s GLN 102 CO 0.59 -1.16 1.66 -1.35 -0.25 0.00 0.00 175.29 174.79 2w3a h PRO 103 N -0.65 -0.08 -0.70 2.91 0.11 -1.92 0.25 132.00 131.92 2w3a h PRO 103 Ca -0.45 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.77 2w3a h PRO 103 Cb 1.29 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.34 2w3a h PRO 103 CO 0.63 -0.05 0.30 1.49 -0.21 0.00 0.00 178.00 180.15 2w3a h GLU 104 N -0.09 0.48 -0.00 1.05 4.81 -1.94 -2.32 114.58 116.57 2w3a h GLU 104 Ca 0.15 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2w3a h GLU 104 Cb 0.32 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2w3a h GLU 104 CO -0.35 0.31 -0.89 1.28 -0.73 0.00 0.00 179.01 178.64 2w3a n LEU 105 N -4.95 0.91 -0.33 1.64 4.77 -1.04 -4.71 117.00 113.29 2w3a n LEU 105 Ca 0.11 -0.40 -0.06 0.00 -0.03 0.00 0.00 56.01 55.63 2w3a n LEU 105 Cb 0.32 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2w3a n LEU 105 CO 0.22 0.23 0.55 0.00 -1.33 0.00 0.00 177.39 177.06 2w3a h ALA 106 N 3.02 -0.19 -0.66 -1.18 0.00 0.08 0.20 119.26 120.53 2w3a h ALA 106 Ca 0.00 0.18 -0.26 0.00 0.00 0.00 0.00 54.91 54.83 2w3a h ALA 106 Cb 0.50 1.09 -0.15 0.00 0.00 0.00 0.00 17.79 19.23 2w3a h ALA 106 CO 0.00 -0.78 0.33 0.09 0.00 0.00 0.00 179.25 178.88 2w3a n ASN 107 N -5.39 4.03 0.00 0.00 5.03 -1.26 -4.56 115.26 113.11 2w3a n ASN 107 Ca 0.05 -3.07 0.00 0.00 0.87 0.00 0.00 54.58 52.43 2w3a n ASN 107 Cb 0.35 -0.72 0.00 0.00 -1.02 0.00 0.00 39.78 38.38 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 -0.32 2.37 -4.01 3.52 4.76 0.71 -4.71 118.16 120.49 2w3a n LYS 108 Ca 0.38 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.47 2w3a n LYS 108 Cb 1.27 -0.92 -0.10 0.00 -1.84 0.00 0.00 35.03 33.45 2w3a n LYS 108 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2w3a s VAL 109 N -1.77 4.79 0.00 -0.18 1.01 -1.22 -0.83 120.40 122.21 2w3a s VAL 109 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2w3a s VAL 109 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2w3a s VAL 109 CO 0.00 0.47 0.00 -0.67 0.00 0.00 0.00 175.10 174.90 2w3a n ASP 110 N 3.45 0.00 -4.89 3.32 2.03 0.54 -4.86 116.55 116.14 2w3a n ASP 110 Ca -0.17 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.84 2w3a n ASP 110 Cb 0.52 0.00 -0.04 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 0.38 3.70 -0.17 -0.67 -1.94 -1.26 -4.92 119.30 114.42 2w3a s MET 111 Ca 0.00 0.10 -0.03 0.00 -1.71 0.00 0.00 55.69 54.05 2w3a s MET 111 Cb 0.00 -2.69 -0.02 0.00 2.01 0.00 0.00 34.83 34.13 2w3a s MET 111 CO 0.00 0.31 -0.07 0.08 -0.01 0.00 0.00 175.02 175.33 2w3a s VAL 112 N -1.88 3.46 -0.18 -6.03 1.01 -1.26 -0.95 120.40 114.58 2w3a s VAL 112 Ca 0.45 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2w3a s VAL 112 Cb -0.11 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.77 2w3a s VAL 112 CO 0.25 0.48 -0.19 0.26 0.00 0.00 0.00 175.10 175.90 2w3a s TRP 113 N 0.71 2.78 -0.19 5.22 0.52 0.05 -1.54 118.94 126.49 2w3a s TRP 113 Ca -0.03 -1.58 -0.22 0.00 0.02 0.00 0.00 56.10 54.29 2w3a s TRP 113 Cb -0.15 -1.92 -0.02 0.00 -1.15 0.00 0.00 33.47 30.23 2w3a s TRP 113 CO 0.02 -0.77 0.67 0.42 0.02 0.00 0.00 176.95 177.30 2w3a s ILE 114 N 1.25 5.00 -0.13 2.03 1.09 0.10 -0.95 121.20 129.57 2w3a s ILE 114 Ca 0.04 1.26 0.19 0.00 -1.10 0.00 0.00 60.65 61.04 2w3a s ILE 114 Cb -0.13 -3.98 0.31 0.00 -1.06 0.00 0.00 42.46 37.60 2w3a s ILE 114 CO -0.11 0.10 1.17 1.33 -0.10 0.00 0.00 174.94 177.33 2w3a n VAL 115 N 4.69 1.92 0.00 2.92 0.24 -0.58 -1.92 118.33 125.60 2w3a n VAL 115 Ca -0.00 -2.25 0.00 0.00 -2.04 0.00 0.00 64.34 60.04 2w3a n VAL 115 Cb 0.50 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 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 -1.37 1.60 0.00 7.63 0.00 -1.26 -4.95 105.19 106.84 2w3a n GLY 116 Ca 0.16 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 0.06 1.67 0.33 -0.02 0.00 -1.26 -0.72 105.19 105.25 2w3a n GLY 117 Ca 0.00 -1.84 0.10 0.00 0.00 0.00 0.00 46.02 44.28 2w3a n GLY 117 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2w3a h SER 118 N 0.00 0.66 0.40 1.61 0.87 -1.98 -0.53 113.55 114.58 2w3a h SER 118 Ca 0.00 0.09 -0.17 0.00 -1.23 0.00 0.00 61.79 60.48 2w3a h SER 118 Cb 0.00 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2w3a h SER 118 CO 0.00 0.26 -0.73 -1.28 -0.53 0.00 0.00 176.83 174.55 2w3a h SER 119 N 0.70 0.32 -0.18 6.23 0.87 -1.95 -2.07 113.55 117.47 2w3a h SER 119 Ca 0.52 -0.22 -0.13 0.00 -1.23 0.00 0.00 61.79 60.73 2w3a h SER 119 Cb 0.76 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2w3a h SER 119 CO -0.37 0.94 -0.41 0.58 -0.53 0.00 0.00 176.83 177.04 2w3a h VAL 120 N 0.18 1.33 -0.30 2.23 2.07 -1.57 -2.73 116.25 117.47 2w3a h VAL 120 Ca -0.03 -1.65 0.02 0.00 0.82 0.00 0.00 66.70 65.86 2w3a h VAL 120 Cb 1.29 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 2w3a h VAL 120 CO 0.12 0.51 0.16 1.88 0.02 0.00 0.00 177.57 180.25 2w3a h TYR 121 N 0.27 0.29 -0.59 1.57 0.05 -1.13 -0.39 116.97 117.03 2w3a h TYR 121 Ca 0.00 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.83 2w3a h TYR 121 Cb 1.02 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 38.63 2w3a h TYR 121 CO 0.09 0.16 0.34 -0.22 -1.05 0.00 0.00 178.16 177.49 2w3a h LYS 122 N 0.32 0.65 -0.43 4.88 3.64 -1.34 -0.54 116.57 123.75 2w3a h LYS 122 Ca 0.12 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 2w3a h LYS 122 Cb 0.03 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2w3a h LYS 122 CO -0.08 0.43 -0.08 1.49 -2.27 0.00 0.00 179.45 178.95 2w3a h GLU 123 N 0.67 0.81 -0.69 1.90 4.81 -1.36 -3.13 114.58 117.58 2w3a h GLU 123 Ca 0.25 -0.30 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 2w3a h GLU 123 Cb 0.08 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2w3a h GLU 123 CO -0.13 0.91 0.14 0.00 -0.73 0.00 0.00 179.01 179.20 2w3a h ALA 124 N 0.87 0.93 0.00 2.92 0.00 -0.66 -2.87 119.26 120.46 2w3a h ALA 124 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2w3a h ALA 124 Cb 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2w3a h ALA 124 CO 0.04 0.67 0.00 0.52 0.00 0.00 0.00 179.25 180.48 2w3a h MET 125 N 1.06 0.00 -0.11 0.00 2.86 -1.06 -1.84 114.93 115.84 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 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2w3a h MET 125 CO 0.01 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.07 2w3a n ASN 126 N -2.82 3.11 -4.77 1.22 3.02 -1.12 -4.99 115.26 108.91 2w3a n ASN 126 Ca 0.01 -2.00 -0.40 0.00 -0.03 0.00 0.00 54.58 52.15 2w3a n ASN 126 Cb 0.27 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.36 2w3a n ASN 126 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2w3a s HIS 127 N -1.89 3.12 0.61 3.10 2.46 -0.70 -4.96 115.29 117.03 2w3a s HIS 127 Ca 0.30 1.46 -0.17 0.00 0.47 0.00 0.00 55.06 57.12 2w3a s HIS 127 Cb 0.21 -3.62 -0.03 0.00 -0.13 0.00 0.00 32.58 29.01 2w3a s HIS 127 CO 0.30 -1.67 1.14 -1.25 -2.47 0.00 0.00 174.74 170.80 2w3a s PRO 128 N -1.77 2.99 0.15 2.88 0.04 -1.26 -4.88 135.00 133.15 2w3a s PRO 128 Ca 0.49 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2w3a s PRO 128 Cb -0.38 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.20 2w3a s PRO 128 CO 0.51 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.82 2w3a n GLY 129 N -0.02 -1.87 3.74 0.56 0.00 -1.26 -4.95 105.19 101.38 2w3a n GLY 129 Ca 0.12 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 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 3.65 -0.17 1.61 5.65 -1.25 -4.25 115.29 120.53 2w3a s HIS 130 Ca 0.00 1.65 -0.12 0.00 0.25 0.00 0.00 55.06 56.84 2w3a s HIS 130 Cb 0.00 -3.23 0.05 0.00 -1.18 0.00 0.00 32.58 28.22 2w3a s HIS 130 CO 0.00 -0.43 0.42 -1.17 -0.65 0.00 0.00 174.74 172.91 2w3a s LEU 131 N -0.49 0.15 0.00 8.88 0.20 -0.78 -2.71 118.68 123.94 2w3a s LEU 131 Ca 0.48 0.88 0.06 0.00 0.69 0.00 0.00 54.13 56.25 2w3a s LEU 131 Cb -0.29 1.43 -0.03 0.00 -0.43 0.00 0.00 46.19 46.87 2w3a s LEU 131 CO 0.35 -0.17 -0.19 -0.54 -0.29 0.00 0.00 176.35 175.51 2w3a s LYS 132 N 0.76 2.19 -0.22 1.98 1.02 -0.84 -1.44 119.74 123.19 2w3a s LYS 132 Ca -0.04 -0.89 -0.01 0.00 0.02 0.00 0.00 55.97 55.04 2w3a s LYS 132 Cb -0.05 -2.20 0.02 0.00 -0.52 0.00 0.00 37.83 35.08 2w3a s LYS 132 CO -0.06 0.57 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.32 2w3a s LEU 133 N -1.04 2.79 -0.52 3.17 1.43 -0.09 -0.63 118.68 123.78 2w3a s LEU 133 Ca 0.13 -0.73 -0.16 0.00 -1.03 0.00 0.00 54.13 52.33 2w3a s LEU 133 Cb -0.10 -1.61 0.11 0.00 0.03 0.00 0.00 46.19 44.62 2w3a s LEU 133 CO 0.02 -0.07 0.48 -0.36 0.23 0.00 0.00 176.35 176.66 2w3a s PHE 134 N 1.33 3.23 -0.22 0.29 0.40 0.24 -0.65 117.98 122.60 2w3a s PHE 134 Ca 0.02 -1.15 -0.03 0.00 -0.60 0.00 0.00 56.93 55.17 2w3a s PHE 134 Cb -0.15 -3.62 0.01 0.00 0.51 0.00 0.00 43.02 39.77 2w3a s PHE 134 CO -0.07 -0.96 -0.07 0.08 0.70 0.00 0.00 175.22 174.89 2w3a s VAL 135 N 1.68 3.05 -0.30 -0.44 1.01 -0.26 -1.39 120.40 123.75 2w3a s VAL 135 Ca 0.04 -0.70 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 2w3a s VAL 135 Cb -0.28 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 2w3a s VAL 135 CO 0.04 0.38 0.54 -0.89 0.00 0.00 0.00 175.10 175.17 2w3a s THR 136 N 1.41 5.02 -0.58 3.92 2.01 -0.15 -0.49 115.64 126.78 2w3a s THR 136 Ca 0.04 0.70 -0.23 0.00 0.31 0.00 0.00 61.69 62.52 2w3a s THR 136 Cb -0.15 -3.91 0.05 0.00 0.01 0.00 0.00 72.50 68.51 2w3a s THR 136 CO -0.05 -0.06 0.90 -0.13 -0.69 0.00 0.00 174.62 174.58 2w3a s ARG 137 N 2.41 3.23 -0.25 4.92 1.81 0.14 -0.97 118.95 130.24 2w3a s ARG 137 Ca 0.21 -0.54 -0.29 0.00 -1.72 0.00 0.00 55.73 53.39 2w3a s ARG 137 Cb -0.15 -4.12 -0.00 0.00 -0.45 0.00 0.00 34.95 30.23 2w3a s ARG 137 CO 0.11 -1.55 1.23 0.42 -0.68 0.00 0.00 175.30 174.84 2w3a s ILE 138 N 3.77 4.29 -0.51 1.52 -1.09 0.46 -1.36 121.20 128.28 2w3a s ILE 138 Ca 0.25 1.51 -0.04 0.00 -2.23 0.00 0.00 60.65 60.14 2w3a s ILE 138 Cb -0.15 -4.15 0.06 0.00 -1.58 0.00 0.00 42.46 36.64 2w3a s ILE 138 CO 0.15 -0.33 2.76 0.23 -1.23 0.00 0.00 174.94 176.52 2w3a n MET 139 N 6.91 2.56 -3.65 2.79 2.81 -0.19 -2.54 117.12 125.82 2w3a n MET 139 Ca 0.14 -2.41 -0.10 0.00 -1.81 0.00 0.00 57.70 53.52 2w3a n MET 139 Cb 0.46 -2.18 -0.04 0.00 -0.71 0.00 0.00 33.22 30.75 2w3a n MET 139 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2w3a s GLN 140 N -1.63 1.19 0.14 0.03 -0.21 -1.26 -4.83 119.66 113.09 2w3a s GLN 140 Ca 0.59 -0.74 -0.24 0.00 0.02 0.00 0.00 55.36 54.98 2w3a s GLN 140 Cb 0.37 0.50 -0.08 0.00 1.00 0.00 0.00 33.01 34.80 2w3a s GLN 140 CO -0.21 -0.49 0.74 0.16 -2.12 0.00 0.00 175.29 173.37 2w3a s ASP 141 N -2.82 7.32 -0.01 5.90 -4.77 -1.26 -1.28 116.67 119.74 2w3a s ASP 141 Ca 0.05 1.56 0.02 0.00 -3.30 0.00 0.00 52.55 50.88 2w3a s ASP 141 Cb 0.01 -2.47 0.00 0.00 -1.09 0.00 0.00 42.92 39.37 2w3a s ASP 141 CO -0.09 0.21 -0.06 -0.36 0.70 0.00 0.00 175.17 175.58 2w3a s PHE 142 N -1.08 0.60 0.05 2.11 0.08 -1.26 -4.97 117.98 113.51 2w3a s PHE 142 Ca 0.35 -0.12 -0.34 0.00 0.12 0.00 0.00 56.93 56.94 2w3a s PHE 142 Cb -0.22 -0.44 -0.12 0.00 -0.57 0.00 0.00 43.02 41.66 2w3a s PHE 142 CO 0.25 -0.06 1.75 -1.91 -0.10 0.00 0.00 175.22 175.15 2w3a n GLU 143 N 3.23 2.27 -4.06 0.44 0.00 -1.26 -4.82 120.64 116.44 2w3a n GLU 143 Ca -0.17 0.82 -0.09 0.00 0.00 0.00 0.00 57.16 57.73 2w3a n GLU 143 Cb 0.56 -2.65 -0.11 0.00 0.00 0.00 0.00 31.44 29.24 2w3a n GLU 143 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2w3a s SER 144 N 2.59 0.52 0.00 4.31 0.01 -1.26 -4.76 113.70 115.11 2w3a s SER 144 Ca 0.85 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2w3a s SER 144 Cb -0.65 0.13 0.00 0.00 0.21 0.00 0.00 66.02 65.71 2w3a s SER 144 CO 0.44 -0.43 0.55 -0.90 0.41 0.00 0.00 173.24 173.31 2w3a n ASP 145 N 0.80 1.02 -3.81 2.44 5.68 -0.08 -4.98 116.55 117.62 2w3a n ASP 145 Ca -0.19 -1.26 -0.13 0.00 -0.50 0.00 0.00 54.79 52.71 2w3a n ASP 145 Cb 0.58 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.41 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 -0.26 -0.03 0.10 2.12 2.01 -1.11 -5.00 115.64 113.47 2w3a s THR 146 Ca 0.00 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.16 2w3a s THR 146 Cb 0.00 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.37 2w3a s THR 146 CO 0.00 0.04 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.47 2w3a s PHE 147 N 0.59 1.33 0.01 4.92 0.40 -1.26 -0.71 117.98 123.25 2w3a s PHE 147 Ca -0.05 -0.53 -0.24 0.00 -0.60 0.00 0.00 56.93 55.51 2w3a s PHE 147 Cb -0.07 -0.71 -0.05 0.00 0.51 0.00 0.00 43.02 42.70 2w3a s PHE 147 CO -0.02 0.11 0.74 0.12 0.70 0.00 0.00 175.22 176.87 2w3a s PHE 148 N -1.89 3.69 0.68 0.36 5.36 -0.08 -4.69 117.98 121.40 2w3a s PHE 148 Ca 0.05 1.40 -0.15 0.00 -0.96 0.00 0.00 56.93 57.27 2w3a s PHE 148 Cb -0.06 -2.81 0.01 0.00 -0.34 0.00 0.00 43.02 39.82 2w3a s PHE 148 CO 0.03 0.22 1.16 -1.25 -1.46 0.00 0.00 175.22 173.92 2w3a s PRO 149 N 0.21 2.54 0.29 10.12 0.04 -1.26 -4.93 135.00 142.01 2w3a s PRO 149 Ca 0.38 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 2w3a s PRO 149 Cb -0.20 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 2w3a s PRO 149 CO 0.21 -1.49 1.52 -1.83 0.04 0.00 0.00 177.00 175.45 2w3a s GLU 150 N -3.91 4.18 -0.26 4.56 1.03 -1.26 -4.97 118.70 118.07 2w3a s GLU 150 Ca 0.71 2.48 -0.27 0.00 0.03 0.00 0.00 54.97 57.92 2w3a s GLU 150 Cb -0.25 -3.04 0.00 0.00 -0.80 0.00 0.00 34.13 30.04 2w3a s GLU 150 CO 0.42 -0.53 0.94 0.42 -1.33 0.00 0.00 175.26 175.18 2w3a s ILE 151 N -0.24 4.72 -0.59 1.83 1.01 -1.26 -5.01 121.20 121.67 2w3a s ILE 151 Ca 0.60 1.73 -0.28 0.00 0.00 0.00 0.00 60.65 62.70 2w3a s ILE 151 Cb -0.45 -4.24 0.03 0.00 0.01 0.00 0.00 42.46 37.81 2w3a s ILE 151 CO 0.49 -0.19 1.20 -0.62 0.00 0.00 0.00 174.94 175.82 2w3a s ASP 152 N 1.36 6.42 0.00 3.58 -1.08 -1.26 -4.89 116.67 120.80 2w3a s ASP 152 Ca 0.40 0.06 0.21 0.00 -0.52 0.00 0.00 52.55 52.70 2w3a s ASP 152 Cb -0.15 -2.55 0.94 0.00 -1.46 0.00 0.00 42.92 39.70 2w3a s ASP 152 CO 0.08 -1.51 1.67 0.18 0.52 0.00 0.00 175.17 176.11 2w3a n LEU 153 N 8.53 0.00 0.22 -1.34 4.77 -1.26 -0.95 117.00 126.97 2w3a n LEU 153 Ca 0.08 0.44 0.07 0.00 -0.03 0.00 0.00 56.01 56.57 2w3a n LEU 153 Cb 0.49 -0.44 0.53 0.00 -2.33 0.00 0.00 43.42 41.67 2w3a n LEU 153 CO 0.72 -0.13 0.86 -0.33 -1.33 0.00 0.00 177.39 177.18 2w3a h GLU 154 N 0.00 0.00 0.00 3.23 4.39 -2.04 -3.36 114.58 116.81 2w3a h GLU 154 Ca 0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 2w3a h GLU 154 Cb 0.31 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 2w3a h GLU 154 CO 0.00 0.23 -2.09 1.63 -1.16 0.00 0.00 179.01 177.62 2w3a n LYS 155 N -3.97 0.46 -4.00 2.33 5.02 -0.50 -5.02 118.16 112.48 2w3a n LYS 155 Ca -0.02 0.12 -0.36 0.00 -2.02 0.00 0.00 58.31 56.03 2w3a n LYS 155 Cb 0.31 -1.35 -0.07 0.00 -0.02 0.00 0.00 35.03 33.90 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 -2.38 3.49 -0.13 2.13 2.02 -0.13 -4.34 117.35 118.01 2w3a s TYR 156 Ca -0.26 0.45 -0.01 0.00 -0.37 0.00 0.00 57.07 56.87 2w3a s TYR 156 Cb 0.07 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 2w3a s TYR 156 CO 0.42 0.67 -0.08 0.21 -1.57 0.00 0.00 175.55 175.20 2w3a s LYS 157 N -0.98 3.38 -0.11 -0.62 2.20 -0.19 -4.48 119.74 118.94 2w3a s LYS 157 Ca 0.15 -0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 54.87 2w3a s LYS 157 Cb -0.12 -2.74 -0.02 0.00 -1.51 0.00 0.00 37.83 33.44 2w3a s LYS 157 CO 0.04 0.31 1.19 -1.17 -0.36 0.00 0.00 175.35 175.35 2w3a s LEU 158 N 0.14 4.23 0.23 5.43 2.96 -1.26 -0.97 118.68 129.43 2w3a s LEU 158 Ca -0.04 1.71 -0.26 0.00 -0.22 0.00 0.00 54.13 55.33 2w3a s LEU 158 Cb -0.14 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 2w3a s LEU 158 CO 0.04 -0.64 0.84 -0.76 -1.32 0.00 0.00 176.35 174.51 2w3a s LEU 159 N 2.71 4.51 0.33 -0.68 1.43 -0.00 -4.95 118.68 122.03 2w3a s LEU 159 Ca 0.54 1.72 0.09 0.00 -1.03 0.00 0.00 54.13 55.44 2w3a s LEU 159 Cb -0.22 -3.57 0.58 0.00 0.03 0.00 0.00 46.19 43.00 2w3a s LEU 159 CO 0.18 0.11 1.77 1.55 0.23 0.00 0.00 176.35 180.18 2w3a h PRO 160 N 3.88 0.17 -2.95 1.29 0.13 -1.95 -3.43 132.00 129.14 2w3a h PRO 160 Ca -0.47 -0.07 0.07 0.00 -0.87 0.00 0.00 66.00 64.67 2w3a h PRO 160 Cb 1.20 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2w3a h PRO 160 CO 0.66 0.51 0.25 -1.83 -0.23 0.00 0.00 178.00 177.36 2w3a s GLU 161 N -4.25 1.70 -0.13 0.86 -1.05 -1.26 -5.06 118.70 109.51 2w3a s GLU 161 Ca -0.04 -0.92 -0.11 0.00 -0.15 0.00 0.00 54.97 53.75 2w3a s GLU 161 Cb 0.14 0.59 0.04 0.00 -0.44 0.00 0.00 34.13 34.46 2w3a s GLU 161 CO 0.75 -0.78 0.34 -0.47 0.95 0.00 0.00 175.26 176.06 2w3a s TYR 162 N -3.86 -0.40 0.30 4.83 5.04 -1.26 -5.04 117.35 116.96 2w3a s TYR 162 Ca 0.10 0.95 -0.30 0.00 -2.44 0.00 0.00 57.07 55.39 2w3a s TYR 162 Cb -0.05 0.14 -0.11 0.00 0.35 0.00 0.00 41.96 42.28 2w3a s TYR 162 CO 0.05 -0.21 1.59 -2.14 -1.34 0.00 0.00 175.55 173.50 2w3a s PRO 163 N 0.43 4.12 0.00 4.97 0.02 -1.26 -1.98 135.00 141.31 2w3a s PRO 163 Ca -0.02 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.58 2w3a s PRO 163 Cb -0.04 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.46 2w3a s PRO 163 CO -0.02 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 2w3a n GLY 164 N 2.08 0.79 3.18 0.52 0.00 -1.26 -5.03 105.19 105.48 2w3a n GLY 164 Ca 0.08 0.00 -0.33 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 -3.08 2.16 0.36 1.61 1.01 -0.84 -5.11 120.40 116.50 2w3a s VAL 165 Ca 0.00 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.76 2w3a s VAL 165 Cb 0.00 -1.87 -0.10 0.00 0.00 0.00 0.00 36.38 34.41 2w3a s VAL 165 CO 0.00 0.54 1.36 -0.76 0.00 0.00 0.00 175.10 176.24 2w3a s LEU 166 N 0.88 4.35 -0.10 3.92 1.43 -1.26 -4.60 118.68 123.29 2w3a s LEU 166 Ca -0.05 2.79 0.16 0.00 -1.03 0.00 0.00 54.13 55.99 2w3a s LEU 166 Cb -0.15 -3.71 -0.23 0.00 0.03 0.00 0.00 46.19 42.12 2w3a s LEU 166 CO -0.03 -0.71 0.43 -0.24 0.23 0.00 0.00 176.35 176.03 2w3a n SER 167 N 0.55 0.48 -4.84 2.29 2.88 -1.26 -4.48 113.62 109.23 2w3a n SER 167 Ca 0.01 0.22 -0.31 0.00 -1.33 0.00 0.00 58.87 57.46 2w3a n SER 167 Cb 0.41 0.48 0.02 0.00 -0.75 0.00 0.00 64.21 64.38 2w3a n SER 167 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2w3a s ASP 168 N -5.75 5.86 0.24 -3.46 1.01 -1.26 -4.83 116.67 108.49 2w3a s ASP 168 Ca -0.07 1.56 -0.31 0.00 0.71 0.00 0.00 52.55 54.44 2w3a s ASP 168 Cb 0.07 -2.49 -0.11 0.00 1.01 0.00 0.00 42.92 41.41 2w3a s ASP 168 CO 0.83 -1.12 1.57 -0.69 0.21 0.00 0.00 175.17 175.97 2w3a s VAL 169 N -3.00 2.32 0.27 -1.27 1.01 -1.26 -4.73 120.40 113.74 2w3a s VAL 169 Ca 0.57 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.87 2w3a s VAL 169 Cb -0.13 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 2w3a s VAL 169 CO 0.51 0.03 0.34 -1.10 0.00 0.00 0.00 175.10 174.88 2w3a s GLN 170 N 0.12 3.23 -0.13 2.72 -1.52 0.64 -4.96 119.66 119.77 2w3a s GLN 170 Ca 0.65 -0.90 -0.07 0.00 -1.95 0.00 0.00 55.36 53.10 2w3a s GLN 170 Cb -0.46 -2.78 0.05 0.00 -0.22 0.00 0.00 33.01 29.60 2w3a s GLN 170 CO 0.41 0.34 0.30 -2.00 -0.25 0.00 0.00 175.29 174.09 2w3a s GLU 171 N -3.99 0.27 -0.02 2.91 2.12 -1.26 -1.27 118.70 117.46 2w3a s GLU 171 Ca 0.36 0.61 -0.01 0.00 0.36 0.00 0.00 54.97 56.29 2w3a s GLU 171 Cb -0.09 -0.08 0.01 0.00 0.26 0.00 0.00 34.13 34.23 2w3a s GLU 171 CO 0.28 -0.16 0.05 -1.21 -0.54 0.00 0.00 175.26 173.68 2w3a s GLU 172 N 1.29 0.04 -1.50 4.30 2.02 -0.70 -4.85 118.70 119.29 2w3a s GLU 172 Ca -0.09 0.10 -0.15 0.00 0.02 0.00 0.00 54.97 54.85 2w3a s GLU 172 Cb -0.10 -0.02 0.12 0.00 0.10 0.00 0.00 34.13 34.23 2w3a s GLU 172 CO -0.10 -0.04 0.69 1.63 0.02 0.00 0.00 175.26 177.47 2w3a n LYS 173 N 3.28 -3.51 -0.91 1.61 5.02 -1.26 -0.97 118.16 121.41 2w3a n LYS 173 Ca -0.15 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 2w3a n LYS 173 Cb 0.58 -5.17 0.00 0.00 -0.02 0.00 0.00 35.03 30.42 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 -1.33 0.56 3.49 0.72 0.00 -1.26 -5.01 105.19 102.36 2w3a n GLY 174 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.53 4.48 0.22 -0.61 1.01 -0.14 -5.10 121.20 118.52 2w3a s ILE 175 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 60.65 60.33 2w3a s ILE 175 Cb 0.00 -3.08 -0.08 0.00 0.01 0.00 0.00 42.46 39.30 2w3a s ILE 175 CO 0.00 0.35 0.73 -0.54 0.00 0.00 0.00 174.94 175.48 2w3a s LYS 176 N 1.40 4.27 0.16 2.79 1.02 -1.26 -1.72 119.74 126.40 2w3a s LYS 176 Ca 0.05 0.88 -0.19 0.00 0.02 0.00 0.00 55.97 56.74 2w3a s LYS 176 Cb -0.15 -2.89 0.04 0.00 -0.52 0.00 0.00 37.83 34.31 2w3a s LYS 176 CO 0.04 0.40 0.51 1.52 -0.92 0.00 0.00 175.35 176.90 2w3a s TYR 177 N -1.51 -0.27 0.02 3.18 -0.85 -0.40 -1.02 117.35 116.50 2w3a s TYR 177 Ca 0.43 -0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.96 2w3a s TYR 177 Cb -0.17 0.41 -0.02 0.00 0.38 0.00 0.00 41.96 42.56 2w3a s TYR 177 CO 0.21 -0.84 -0.03 -1.59 -1.52 0.00 0.00 175.55 171.78 2w3a s LYS 178 N -3.82 0.30 -0.15 -3.49 -2.85 -0.47 -0.26 119.74 109.01 2w3a s LYS 178 Ca 0.05 -0.58 -0.16 0.00 -1.00 0.00 0.00 55.97 54.28 2w3a s LYS 178 Cb -0.00 0.07 -0.04 0.00 -2.06 0.00 0.00 37.83 35.79 2w3a s LYS 178 CO -0.09 -0.04 0.41 -0.06 0.10 0.00 0.00 175.35 175.68 2w3a s PHE 179 N -1.34 3.47 0.11 1.78 0.08 -1.26 -0.68 117.98 120.13 2w3a s PHE 179 Ca -0.14 0.75 0.09 0.00 0.12 0.00 0.00 56.93 57.75 2w3a s PHE 179 Cb -0.09 -2.49 -0.04 0.00 -0.57 0.00 0.00 43.02 39.83 2w3a s PHE 179 CO -0.01 0.15 -0.23 -1.21 -0.10 0.00 0.00 175.22 173.82 2w3a s GLU 180 N 0.72 1.24 -0.09 0.44 2.02 0.35 -4.86 118.70 118.52 2w3a s GLU 180 Ca 0.22 -1.23 0.01 0.00 0.02 0.00 0.00 54.97 53.99 2w3a s GLU 180 Cb -0.14 -1.59 0.02 0.00 0.10 0.00 0.00 34.13 32.51 2w3a s GLU 180 CO 0.08 0.37 -0.11 0.08 0.02 0.00 0.00 175.26 175.70 2w3a s VAL 181 N -1.11 1.19 0.15 2.63 1.01 -1.26 -1.10 120.40 121.91 2w3a s VAL 181 Ca 0.09 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.69 2w3a s VAL 181 Cb -0.10 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2w3a s VAL 181 CO 0.05 0.38 -0.05 -0.31 0.00 0.00 0.00 175.10 175.17 2w3a s TYR 182 N 1.12 2.79 -0.02 5.22 1.51 0.18 -0.82 117.35 127.32 2w3a s TYR 182 Ca -0.06 -0.15 -0.02 0.00 -1.01 0.00 0.00 57.07 55.84 2w3a s TYR 182 Cb -0.14 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 2w3a s TYR 182 CO -0.02 0.49 0.05 -2.00 -1.11 0.00 0.00 175.55 172.96 2w3a s GLU 183 N -2.66 0.09 0.16 -0.62 2.12 -0.15 -0.92 118.70 116.73 2w3a s GLU 183 Ca 0.25 0.02 0.06 0.00 0.36 0.00 0.00 54.97 55.66 2w3a s GLU 183 Cb -0.10 0.04 -0.04 0.00 0.26 0.00 0.00 34.13 34.29 2w3a s GLU 183 CO 0.17 -0.01 -0.13 -1.59 -0.54 0.00 0.00 175.26 173.15 2w3a s LYS 184 N -0.10 1.16 0.00 4.30 -2.85 -0.52 -1.02 119.74 120.71 2w3a s LYS 184 Ca -0.01 -1.44 0.00 0.00 -1.00 0.00 0.00 55.97 53.51 2w3a s LYS 184 Cb -0.01 -0.93 0.00 0.00 -2.06 0.00 0.00 37.83 34.83 2w3a s LYS 184 CO 0.00 0.16 0.00 0.09 0.10 0.00 0.00 175.35 175.70 2w3a n ASN 185 N -0.04 4.17 0.00 0.03 3.02 -1.26 -1.86 115.26 119.32 2w3a n ASN 185 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2w3a n ASN 185 Cb 0.59 0.38 0.00 0.00 -0.61 0.00 0.00 39.78 40.14 2w3a n ASN 185 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11