#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w3a s ILE 4 N 0.00 3.05 -0.33 0.53 1.01 -1.26 -5.00 121.20 119.20 1w3a s ILE 4 Ca 0.00 0.62 -0.24 0.00 0.00 0.00 0.00 60.65 61.03 1w3a s ILE 4 Cb 0.00 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 39.27 1w3a s ILE 4 CO 0.00 -0.18 0.82 -0.47 0.00 0.00 0.00 174.94 175.11 1w3a s TYR 5 N -1.86 3.16 -0.17 3.97 5.04 -1.26 -5.04 117.35 121.19 1w3a s TYR 5 Ca 0.73 0.76 -0.07 0.00 -2.44 0.00 0.00 57.07 56.05 1w3a s TYR 5 Cb -0.25 -3.33 -0.04 0.00 0.35 0.00 0.00 41.96 38.69 1w3a s TYR 5 CO 0.31 -0.65 0.05 0.42 -1.34 0.00 0.00 175.55 174.35 1w3a s ILE 6 N 3.08 4.67 0.43 3.14 -1.09 -1.26 -5.01 121.20 125.17 1w3a s ILE 6 Ca 0.33 -0.08 -0.24 0.00 -2.23 0.00 0.00 60.65 58.43 1w3a s ILE 6 Cb -0.14 -3.09 -0.08 0.00 -1.58 0.00 0.00 42.46 37.58 1w3a s ILE 6 CO 0.14 0.48 1.15 -2.16 -1.23 0.00 0.00 174.94 173.33 1w3a s PRO 7 N 0.20 3.92 1.12 2.79 0.04 -1.26 -5.04 135.00 136.77 1w3a s PRO 7 Ca 0.03 1.77 -0.19 0.00 0.04 0.00 0.00 61.00 62.66 1w3a s PRO 7 Cb -0.12 -2.53 0.28 0.00 0.04 0.00 0.00 34.50 32.16 1w3a s PRO 7 CO 0.01 -0.41 0.98 -0.35 0.04 0.00 0.00 177.00 177.26 1w3a n PRO 8 N -0.21 -3.00 0.07 0.56 -0.04 -1.26 -4.84 135.00 126.27 1w3a n PRO 8 Ca 0.06 -1.56 -0.03 0.00 -0.04 0.00 0.00 63.50 61.92 1w3a n PRO 8 Cb 0.48 -1.48 0.19 0.00 -0.04 0.00 0.00 33.50 32.65 1w3a n PRO 8 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1w3a h GLU 9 N 0.00 0.32 -0.21 0.54 5.08 -1.97 -3.12 114.58 115.22 1w3a h GLU 9 Ca -0.37 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1w3a h GLU 9 Cb 1.13 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1w3a h GLU 9 CO 0.24 0.68 0.00 0.41 -1.00 0.00 0.00 179.01 179.34 1w3a n GLY 10 N -0.14 -0.23 3.28 -3.84 0.00 -1.26 -4.49 105.19 98.52 1w3a n GLY 10 Ca -0.01 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1w3a n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1w3a s LEU 11 N -0.94 2.35 0.18 0.99 2.96 -1.18 -4.90 118.68 118.14 1w3a s LEU 11 Ca 0.08 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1w3a s LEU 11 Cb 0.04 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1w3a s LEU 11 CO 0.05 0.16 0.33 -0.31 -1.32 0.00 0.00 176.35 175.27 1w3a s TYR 12 N 0.33 3.48 0.18 5.38 1.51 -1.26 -4.48 117.35 122.48 1w3a s TYR 12 Ca -0.15 0.20 -0.23 0.00 -1.01 0.00 0.00 57.07 55.87 1w3a s TYR 12 Cb -0.17 -1.74 0.06 0.00 -0.11 0.00 0.00 41.96 40.00 1w3a s TYR 12 CO 0.08 0.45 0.71 -0.59 -1.11 0.00 0.00 175.55 175.09 1w3a s PHE 13 N -1.82 -0.36 0.17 2.71 -0.12 -0.20 -1.78 117.98 116.58 1w3a s PHE 13 Ca 0.36 0.07 0.04 0.00 -0.05 0.00 0.00 56.93 57.35 1w3a s PHE 13 Cb -0.11 0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 1w3a s PHE 13 CO 0.29 -0.94 0.19 1.03 -0.05 0.00 0.00 175.22 175.74 1w3a s ARG 14 N -3.68 3.07 -0.53 1.99 3.00 -0.28 -1.03 118.95 121.50 1w3a s ARG 14 Ca 0.06 -0.80 -0.06 0.00 0.00 0.00 0.00 55.73 54.93 1w3a s ARG 14 Cb -0.03 -2.74 0.14 0.00 0.00 0.00 0.00 34.95 32.32 1w3a s ARG 14 CO -0.04 0.49 0.36 -0.51 0.00 0.00 0.00 175.30 175.60 1w3a s LEU 15 N -3.20 5.51 -0.11 2.53 1.43 -1.26 -2.20 118.68 121.37 1w3a s LEU 15 Ca 0.32 -2.30 -0.25 0.00 -1.03 0.00 0.00 54.13 50.87 1w3a s LEU 15 Cb -0.10 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1w3a s LEU 15 CO 0.25 -0.54 0.77 -0.22 0.23 0.00 0.00 176.35 176.84 1w3a s LEU 16 N 0.76 4.25 0.20 1.79 2.96 -0.83 -2.77 118.68 125.03 1w3a s LEU 16 Ca 0.11 1.19 -0.28 0.00 -0.22 0.00 0.00 54.13 54.93 1w3a s LEU 16 Cb -0.22 -3.17 -0.08 0.00 0.50 0.00 0.00 46.19 43.21 1w3a s LEU 16 CO -0.03 -0.26 0.87 -0.83 -1.32 0.00 0.00 176.35 174.78 1w3a s GLY 17 N 1.00 3.03 0.11 7.98 0.00 -0.58 -0.62 107.32 118.24 1w3a s GLY 17 Ca 0.38 0.51 -0.27 0.00 0.00 0.00 0.00 44.72 45.34 1w3a s GLY 17 CO 0.16 1.08 1.64 -2.75 0.00 0.00 0.00 173.10 173.23 1w3a h PHE 18 N 4.35 -0.68 0.02 1.90 3.57 -1.56 -1.62 116.94 122.91 1w3a h PHE 18 Ca -0.46 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 1w3a h PHE 18 Cb 1.20 0.28 0.00 0.00 2.79 0.00 0.00 35.95 40.22 1w3a h PHE 18 CO 0.63 -0.36 -0.01 0.00 -2.23 0.00 0.00 178.31 176.33 1w3a h ALA 19 N 0.22 -0.03 0.00 2.41 0.00 -1.78 -3.31 119.26 116.78 1w3a h ALA 19 Ca 0.02 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1w3a h ALA 19 Cb 0.49 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1w3a h ALA 19 CO -0.12 -0.13 -0.28 0.66 0.00 0.00 0.00 179.25 179.38 1w3a h SER 20 N -0.79 0.00 -3.61 0.00 4.64 -1.66 -3.44 113.55 108.70 1w3a h SER 20 Ca -0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.09 1w3a h SER 20 Cb 0.72 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 1w3a h SER 20 CO 0.00 0.28 -0.28 0.54 -0.87 0.00 0.00 176.83 176.50 1w3a n ARG 21 N -3.49 -2.16 -4.35 4.77 1.74 -0.61 -4.82 116.66 107.74 1w3a n ARG 21 Ca -0.00 0.56 -0.18 0.00 -0.77 0.00 0.00 57.85 57.46 1w3a n ARG 21 Cb 0.44 -5.10 -0.10 0.00 -1.02 0.00 0.00 32.46 26.68 1w3a n ARG 21 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1w3a s GLN 22 N -4.75 1.37 0.06 5.56 -0.21 -1.26 -4.85 119.66 115.60 1w3a s GLN 22 Ca 0.00 -1.69 0.08 0.00 0.02 0.00 0.00 55.36 53.76 1w3a s GLN 22 Cb 0.00 -0.74 -0.03 0.00 1.00 0.00 0.00 33.01 33.23 1w3a s GLN 22 CO 0.00 -0.06 -0.17 0.54 -2.12 0.00 0.00 175.29 173.48 1w3a s VAL 23 N -3.32 2.85 0.23 1.09 0.11 -0.32 -1.53 120.40 119.52 1w3a s VAL 23 Ca 0.28 -1.27 -0.30 0.00 -2.93 0.00 0.00 61.98 57.76 1w3a s VAL 23 Cb 0.05 -2.24 -0.09 0.00 -1.53 0.00 0.00 36.38 32.57 1w3a s VAL 23 CO 0.09 0.26 1.09 -0.63 -3.33 0.00 0.00 175.10 172.58 1w3a s ILE 24 N -1.00 3.70 0.16 7.04 1.01 -1.12 -1.10 121.20 129.89 1w3a s ILE 24 Ca 0.16 1.59 0.10 0.00 0.00 0.00 0.00 60.65 62.50 1w3a s ILE 24 Cb -0.11 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1w3a s ILE 24 CO 0.07 0.33 -0.19 0.72 0.00 0.00 0.00 174.94 175.87 1w3a s PHE 25 N -0.74 2.46 -0.17 3.97 -0.12 -0.51 -4.40 117.98 118.47 1w3a s PHE 25 Ca 0.46 -0.30 -0.04 0.00 -0.05 0.00 0.00 56.93 57.01 1w3a s PHE 25 Cb -0.30 -1.25 0.08 0.00 -0.63 0.00 0.00 43.02 40.91 1w3a s PHE 25 CO 0.38 0.45 0.18 0.00 -0.05 0.00 0.00 175.22 176.18 1w3a s ALA 26 N -1.46 -0.13 0.39 1.99 0.00 -0.61 -2.96 121.76 118.99 1w3a s ALA 26 Ca 0.20 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.45 1w3a s ALA 26 Cb -0.09 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 1w3a s ALA 26 CO 0.11 -1.03 0.06 -0.98 0.00 0.00 0.00 175.76 173.92 1w3a s ARG 27 N 2.29 1.87 -0.20 0.00 1.70 -0.54 -4.43 118.95 119.64 1w3a s ARG 27 Ca 0.05 -2.10 -0.20 0.00 -0.47 0.00 0.00 55.73 53.00 1w3a s ARG 27 Cb -0.15 -1.03 -0.18 0.00 -0.57 0.00 0.00 34.95 33.03 1w3a s ARG 27 CO -0.10 -0.28 0.18 -0.91 -1.08 0.00 0.00 175.30 173.12 1w3a h ASN 28 N 1.84 0.00 -3.55 -2.89 2.35 -1.94 -3.44 115.58 107.94 1w3a h ASN 28 Ca -0.40 -0.46 -0.40 0.00 -0.55 0.00 0.00 56.30 54.49 1w3a h ASN 28 Cb 1.26 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.49 1w3a h ASN 28 CO 0.69 1.41 -0.71 -0.94 -1.65 0.00 0.00 177.43 176.22 1w3a s SER 29 N -6.73 2.20 0.20 5.81 1.04 -1.26 -4.83 113.70 110.14 1w3a s SER 29 Ca -0.27 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.11 1w3a s SER 29 Cb 0.05 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1w3a s SER 29 CO 0.55 -0.28 0.00 -2.65 0.98 0.00 0.00 173.24 171.84 1w3a n PRO 30 N -0.32 0.67 0.09 4.02 -0.02 -1.26 -5.08 135.00 133.10 1w3a n PRO 30 Ca -0.08 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.27 1w3a n PRO 30 Cb 0.61 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.03 1w3a n PRO 30 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1w3a h SER 31 N -0.13 -0.29 -3.54 2.55 0.02 -2.00 -3.34 113.55 106.81 1w3a h SER 31 Ca 0.00 0.03 -0.56 0.00 -0.84 0.00 0.00 61.79 60.42 1w3a h SER 31 Cb 0.00 0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.58 1w3a h SER 31 CO 0.00 -0.17 0.97 -2.16 -1.14 0.00 0.00 176.83 174.33 1w3a s PRO 32 N -6.15 3.65 0.32 3.45 0.04 -1.26 -4.93 135.00 130.13 1w3a s PRO 32 Ca -0.14 0.61 0.19 0.00 0.04 0.00 0.00 61.00 61.69 1w3a s PRO 32 Cb 0.07 -3.95 0.16 0.00 0.04 0.00 0.00 34.50 30.81 1w3a s PRO 32 CO 0.66 -1.48 1.43 0.38 0.04 0.00 0.00 177.00 178.03 1w3a h ASP 33 N 9.66 0.00 -4.33 6.66 2.03 -1.85 -3.44 116.42 125.15 1w3a h ASP 33 Ca -0.24 0.00 -0.47 0.00 -0.73 0.00 0.00 57.03 55.58 1w3a h ASP 33 Cb 1.07 0.00 -0.24 0.00 -0.83 0.00 0.00 39.33 39.33 1w3a h ASP 33 CO 1.13 0.25 -0.80 0.68 -1.03 0.00 0.00 179.24 179.46 1w3a s VAL 34 N -3.10 1.27 0.00 4.15 -7.23 -1.26 -1.46 120.40 112.76 1w3a s VAL 34 Ca 0.04 -1.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 1w3a s VAL 34 Cb 0.07 -1.15 0.00 0.00 0.56 0.00 0.00 36.38 35.86 1w3a s VAL 34 CO 0.72 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.12 1w3a n GLY 35 N 1.72 1.17 3.52 2.32 0.00 -1.15 -4.98 105.19 107.78 1w3a n GLY 35 Ca -0.18 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 1w3a n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w3a s LEU 36 N 0.00 2.84 -0.02 0.99 1.43 -1.26 -1.42 118.68 121.24 1w3a s LEU 36 Ca 0.00 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 1w3a s LEU 36 Cb 0.00 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1w3a s LEU 36 CO 0.00 0.22 0.26 -0.55 0.23 0.00 0.00 176.35 176.51 1w3a s SER 37 N -1.83 -0.15 0.41 2.29 0.15 -0.26 -4.91 113.70 109.40 1w3a s SER 37 Ca 0.18 0.07 -0.24 0.00 0.70 0.00 0.00 55.95 56.66 1w3a s SER 37 Cb -0.11 0.32 -0.11 0.00 -1.71 0.00 0.00 66.02 64.41 1w3a s SER 37 CO 0.09 -0.39 0.90 -2.65 1.20 0.00 0.00 173.24 172.40 1w3a n PRO 38 N 1.52 1.14 -1.73 5.44 -0.02 -1.26 -1.17 135.00 138.92 1w3a n PRO 38 Ca -0.21 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 1w3a n PRO 38 Cb 0.56 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 32.12 1w3a n PRO 38 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1w3a s VAL 39 N -1.30 2.01 -0.21 -1.45 1.01 -1.26 -4.87 120.40 114.33 1w3a s VAL 39 Ca 0.63 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.60 1w3a s VAL 39 Cb -0.58 -3.01 0.06 0.00 0.00 0.00 0.00 36.38 32.86 1w3a s VAL 39 CO 0.57 0.00 0.03 0.21 0.00 0.00 0.00 175.10 175.91 1w3a s ASN 40 N 1.03 3.09 0.50 3.32 3.04 -1.26 -5.05 114.94 119.62 1w3a s ASN 40 Ca 0.72 -0.92 0.21 0.00 0.04 0.00 0.00 52.86 52.91 1w3a s ASN 40 Cb -0.50 -0.67 1.27 0.00 -1.54 0.00 0.00 41.25 39.82 1w3a s ASN 40 CO 0.36 -0.31 2.01 0.44 -3.04 0.00 0.00 177.10 176.56 1w3a h ASP 41 N 8.21 0.11 0.51 -4.21 3.32 -2.03 -2.44 116.42 119.88 1w3a h ASP 41 Ca -0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1w3a h ASP 41 Cb 1.11 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1w3a h ASP 41 CO 0.35 0.06 -0.45 0.00 -1.72 0.00 0.00 179.24 177.48 1w3a n GLN 42 N -4.43 0.06 -2.67 3.56 6.02 -1.26 -4.81 117.38 113.85 1w3a n GLN 42 Ca 0.08 -0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 1w3a n GLN 42 Cb 0.48 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.21 1w3a n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1w3a s ALA 43 N -2.96 3.02 0.29 -1.58 0.00 -0.92 -4.90 121.76 114.71 1w3a s ALA 43 Ca 0.12 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1w3a s ALA 43 Cb 0.18 -3.96 0.51 0.00 0.00 0.00 0.00 23.12 19.85 1w3a s ALA 43 CO 0.68 -2.66 1.89 1.15 0.00 0.00 0.00 175.76 176.82 1w3a h THR 44 N 6.09 1.05 0.00 0.00 2.02 -1.87 -1.61 112.91 118.59 1w3a h THR 44 Ca -0.26 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1w3a h THR 44 Cb 1.06 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1w3a h THR 44 CO 1.17 0.19 0.00 0.47 0.37 0.00 0.00 175.52 177.72 1w3a n ASP 45 N -4.51 0.00 -0.96 4.18 8.00 -1.26 -1.28 116.55 120.72 1w3a n ASP 45 Ca 0.15 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.77 1w3a n ASP 45 Cb 0.22 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.42 1w3a n ASP 45 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1w3a n GLN 46 N -2.69 2.31 -3.90 -1.24 6.02 -0.60 -1.57 117.38 115.71 1w3a n GLN 46 Ca 0.00 -1.93 -0.36 0.00 -0.01 0.00 0.00 57.00 54.70 1w3a n GLN 46 Cb 0.00 -1.46 -0.06 0.00 1.02 0.00 0.00 30.24 29.74 1w3a n GLN 46 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1w3a s TYR 47 N -1.97 3.57 0.02 1.08 1.51 -0.41 -4.22 117.35 116.93 1w3a s TYR 47 Ca 0.28 0.48 -0.06 0.00 -1.01 0.00 0.00 57.07 56.77 1w3a s TYR 47 Cb 0.20 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 40.13 1w3a s TYR 47 CO 0.30 0.71 0.10 -0.06 -1.11 0.00 0.00 175.55 175.49 1w3a s PHE 48 N -1.08 0.12 0.36 2.71 0.40 -0.19 -1.58 117.98 118.72 1w3a s PHE 48 Ca 0.17 -0.31 0.05 0.00 -0.60 0.00 0.00 56.93 56.24 1w3a s PHE 48 Cb -0.12 -0.10 -0.07 0.00 0.51 0.00 0.00 43.02 43.24 1w3a s PHE 48 CO 0.07 -0.30 0.04 -1.54 0.70 0.00 0.00 175.22 174.18 1w3a s SER 49 N -1.65 2.99 0.10 1.36 1.04 -0.93 -1.03 113.70 115.58 1w3a s SER 49 Ca -0.12 -1.37 0.03 0.00 0.48 0.00 0.00 55.95 54.97 1w3a s SER 49 Cb -0.06 -0.21 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 1w3a s SER 49 CO -0.01 -0.54 0.15 -0.76 0.98 0.00 0.00 173.24 173.06 1w3a s LEU 50 N -3.58 4.01 -0.22 2.42 1.43 -1.26 -1.40 118.68 120.07 1w3a s LEU 50 Ca 0.36 0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1w3a s LEU 50 Cb 0.09 -2.64 -0.00 0.00 0.03 0.00 0.00 46.19 43.67 1w3a s LEU 50 CO 0.16 0.13 -0.05 -0.63 0.23 0.00 0.00 176.35 176.20 1w3a s ILE 51 N -1.54 3.24 -0.36 -0.59 1.01 0.02 -4.45 121.20 118.54 1w3a s ILE 51 Ca 0.32 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 60.08 1w3a s ILE 51 Cb -0.12 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.85 1w3a s ILE 51 CO 0.25 0.39 1.44 -0.31 0.00 0.00 0.00 174.94 176.70 1w3a s TYR 52 N 1.45 2.39 0.43 3.97 1.51 -1.26 -1.57 117.35 124.26 1w3a s TYR 52 Ca 0.05 0.70 -0.23 0.00 -1.01 0.00 0.00 57.07 56.58 1w3a s TYR 52 Cb -0.15 -4.16 -0.11 0.00 -0.11 0.00 0.00 41.96 37.43 1w3a s TYR 52 CO -0.04 -2.10 0.79 0.41 -1.11 0.00 0.00 175.55 173.49 1w3a n GLY 53 N 4.87 -0.83 3.49 0.71 0.00 0.03 -4.99 105.19 108.48 1w3a n GLY 53 Ca 0.17 0.08 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 1w3a n GLY 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1w3a s THR 54 N -1.38 0.71 0.00 2.61 -4.23 -1.25 -3.94 115.64 108.17 1w3a s THR 54 Ca 0.64 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1w3a s THR 54 Cb -0.57 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 70.82 1w3a s THR 54 CO 0.57 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 1w3a n GLY 55 N -0.84 3.22 0.21 3.99 0.00 -1.26 -1.34 105.19 109.17 1w3a n GLY 55 Ca -0.05 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1w3a n GLY 55 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1w3a h GLU 56 N 0.00 0.00 -0.15 1.61 5.08 -2.05 -2.86 114.58 116.20 1w3a h GLU 56 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1w3a h GLU 56 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1w3a h GLU 56 CO 0.00 0.14 0.00 0.72 -1.00 0.00 0.00 179.01 178.87 1w3a n HIS 57 N -3.16 0.20 -1.75 4.33 8.25 -0.45 -4.94 115.22 117.71 1w3a n HIS 57 Ca 0.03 -0.10 -0.42 0.00 -0.26 0.00 0.00 57.72 56.97 1w3a n HIS 57 Cb 0.53 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.62 1w3a n HIS 57 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1w3a s ALA 58 N -1.80 3.78 0.00 -1.41 0.00 -1.08 -1.66 121.76 119.58 1w3a s ALA 58 Ca 0.21 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.77 1w3a s ALA 58 Cb 0.11 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1w3a s ALA 58 CO 0.16 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.32 1w3a n GLY 59 N 2.33 0.78 3.64 0.00 0.00 -1.26 -4.94 105.19 105.74 1w3a n GLY 59 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1w3a n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w3a s LEU 60 N 0.00 2.39 -0.12 0.99 1.43 -0.66 -4.78 118.68 117.92 1w3a s LEU 60 Ca 0.00 -1.54 -0.11 0.00 -1.03 0.00 0.00 54.13 51.45 1w3a s LEU 60 Cb 0.00 -0.63 0.03 0.00 0.03 0.00 0.00 46.19 45.62 1w3a s LEU 60 CO 0.00 -0.72 0.31 -0.31 0.23 0.00 0.00 176.35 175.86 1w3a s TYR 61 N -2.94 -0.34 0.13 0.29 1.51 -0.49 -0.79 117.35 114.72 1w3a s TYR 61 Ca 0.21 0.84 0.03 0.00 -1.01 0.00 0.00 57.07 57.13 1w3a s TYR 61 Cb 0.05 0.12 -0.04 0.00 -0.11 0.00 0.00 41.96 41.98 1w3a s TYR 61 CO 0.11 -0.17 0.21 0.00 -1.11 0.00 0.00 175.55 174.59 1w3a s ALA 62 N 0.15 3.84 -0.34 3.71 0.00 -0.61 -0.64 121.76 127.88 1w3a s ALA 62 Ca -0.00 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1w3a s ALA 62 Cb -0.02 -1.66 0.10 0.00 0.00 0.00 0.00 23.12 21.54 1w3a s ALA 62 CO 0.00 0.61 0.05 0.42 0.00 0.00 0.00 175.76 176.84 1w3a s ILE 63 N -1.67 2.36 -0.17 0.00 1.01 -1.26 -0.79 121.20 120.68 1w3a s ILE 63 Ca 0.33 -2.28 -0.19 0.00 0.00 0.00 0.00 60.65 58.52 1w3a s ILE 63 Cb -0.11 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 1w3a s ILE 63 CO 0.27 -0.57 0.52 -0.75 0.00 0.00 0.00 174.94 174.41 1w3a s LYS 64 N 0.93 4.24 0.21 2.79 2.20 -0.50 -1.57 119.74 128.05 1w3a s LYS 64 Ca 0.09 0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 55.86 1w3a s LYS 64 Cb -0.19 -3.52 -0.09 0.00 -1.51 0.00 0.00 37.83 32.51 1w3a s LYS 64 CO -0.07 -0.06 1.34 0.45 -0.36 0.00 0.00 175.35 176.64 1w3a s SER 65 N 1.00 6.85 0.07 1.43 0.15 0.40 -2.18 113.70 121.42 1w3a s SER 65 Ca 0.25 2.46 -0.11 0.00 0.70 0.00 0.00 55.95 59.25 1w3a s SER 65 Cb -0.15 -2.61 -0.26 0.00 -1.71 0.00 0.00 66.02 61.29 1w3a s SER 65 CO 0.10 -0.56 1.14 0.50 1.20 0.00 0.00 173.24 175.62 1w3a h LYS 66 N 5.29 0.52 -0.62 5.44 3.64 -1.54 0.73 116.57 130.04 1w3a h LYS 66 Ca -0.45 -0.71 -0.01 0.00 -1.27 0.00 0.00 60.65 58.21 1w3a h LYS 66 Cb 1.21 0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 33.24 1w3a h LYS 66 CO 0.77 1.31 0.34 0.00 -2.27 0.00 0.00 179.45 179.60 1w3a h ALA 67 N 0.41 0.80 0.00 5.00 0.00 -1.77 -3.38 119.26 120.32 1w3a h ALA 67 Ca -0.16 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 1w3a h ALA 67 Cb 1.89 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 1w3a h ALA 67 CO 0.22 0.31 -1.72 2.41 0.00 0.00 0.00 179.25 180.47 1w3a n THR 68 N -4.56 0.72 -0.31 0.00 -1.04 -1.24 -4.99 114.28 102.87 1w3a n THR 68 Ca 0.04 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1w3a n THR 68 Cb 0.09 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 1w3a n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1w3a n GLY 69 N 2.41 1.61 3.67 3.41 0.00 0.25 -5.02 105.19 111.52 1w3a n GLY 69 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 1w3a n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1w3a n LYS 70 N -2.00 -0.63 -4.23 1.61 5.02 -1.26 -4.68 118.16 111.99 1w3a n LYS 70 Ca 0.00 -2.28 -0.17 0.00 -2.02 0.00 0.00 58.31 53.84 1w3a n LYS 70 Cb 0.00 -0.95 -0.13 0.00 -0.02 0.00 0.00 35.03 33.93 1w3a n LYS 70 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1w3a s VAL 71 N -3.32 0.71 0.56 -0.18 1.01 -0.09 -0.45 120.40 118.64 1w3a s VAL 71 Ca 0.67 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 1w3a s VAL 71 Cb -0.03 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 1w3a s VAL 71 CO 0.46 -0.04 1.03 -0.76 0.00 0.00 0.00 175.10 175.79 1w3a s LEU 72 N -0.86 3.58 0.01 3.92 1.43 -0.61 -1.44 118.68 124.71 1w3a s LEU 72 Ca -0.01 1.76 -0.00 0.00 -1.03 0.00 0.00 54.13 54.85 1w3a s LEU 72 Cb -0.06 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.61 1w3a s LEU 72 CO 0.00 -0.96 -0.02 0.72 0.23 0.00 0.00 176.35 176.33 1w3a s PHE 73 N -2.44 0.20 -0.05 0.29 -0.12 -0.66 -4.33 117.98 110.86 1w3a s PHE 73 Ca 0.63 -0.40 0.01 0.00 -0.05 0.00 0.00 56.93 57.12 1w3a s PHE 73 Cb -0.14 -0.14 0.02 0.00 -0.63 0.00 0.00 43.02 42.12 1w3a s PHE 73 CO 0.33 -0.15 -0.06 0.45 -0.05 0.00 0.00 175.22 175.74 1w3a s SER 74 N -1.13 1.14 0.09 1.98 0.15 -0.92 -2.85 113.70 112.16 1w3a s SER 74 Ca -0.12 -0.16 -0.17 0.00 0.70 0.00 0.00 55.95 56.19 1w3a s SER 74 Cb -0.08 -0.53 0.03 0.00 -1.71 0.00 0.00 66.02 63.74 1w3a s SER 74 CO -0.01 -0.04 0.40 0.00 1.20 0.00 0.00 173.24 174.79 1w3a s ARG 75 N 0.90 0.99 -0.14 5.44 1.70 0.17 -4.78 118.95 123.23 1w3a s ARG 75 Ca -0.11 -0.56 -0.14 0.00 -0.47 0.00 0.00 55.73 54.45 1w3a s ARG 75 Cb -0.15 0.44 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 1w3a s ARG 75 CO 0.01 -0.37 -0.26 0.54 -1.08 0.00 0.00 175.30 174.14 1w3a n ARG 76 N 0.11 0.43 0.29 3.89 5.12 -1.26 -4.44 116.66 120.79 1w3a n ARG 76 Ca -0.17 0.24 -0.14 0.00 -1.93 0.00 0.00 57.85 55.84 1w3a n ARG 76 Cb 0.62 -1.33 -0.08 0.00 -1.16 0.00 0.00 32.46 30.51 1w3a n ARG 76 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1w3a h PRO 77 N -0.84 -0.73 -6.59 5.56 0.14 -1.98 -3.44 132.00 124.12 1w3a h PRO 77 Ca 0.00 0.05 -0.53 0.00 0.14 0.00 0.00 66.00 65.66 1w3a h PRO 77 Cb 0.75 0.17 0.02 0.00 0.14 0.00 0.00 31.00 32.08 1w3a h PRO 77 CO 0.00 -0.43 0.63 0.00 0.14 0.00 0.00 178.00 178.34 1w3a s ALA 78 N -5.02 3.49 0.12 -0.56 0.00 -1.26 -4.97 121.76 113.55 1w3a s ALA 78 Ca -0.14 1.01 -0.20 0.00 0.00 0.00 0.00 51.96 52.63 1w3a s ALA 78 Cb 0.02 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 1w3a s ALA 78 CO 0.48 -0.49 0.62 -2.00 0.00 0.00 0.00 175.76 174.37 1w3a s GLU 79 N 0.45 4.24 0.44 0.00 2.56 -1.26 -3.55 118.70 121.58 1w3a s GLU 79 Ca 0.58 0.79 -0.19 0.00 0.00 0.00 0.00 54.97 56.15 1w3a s GLU 79 Cb -0.34 -3.16 -0.10 0.00 2.00 0.00 0.00 34.13 32.53 1w3a s GLU 79 CO 0.34 0.58 0.93 -1.25 -0.56 0.00 0.00 175.26 175.30 1w3a s PRO 80 N -1.33 4.11 0.38 4.30 0.04 -1.26 -5.09 135.00 136.15 1w3a s PRO 80 Ca 0.33 1.01 0.10 0.00 0.04 0.00 0.00 61.00 62.48 1w3a s PRO 80 Cb -0.19 -2.20 0.77 0.00 0.04 0.00 0.00 34.50 32.92 1w3a s PRO 80 CO 0.20 -0.08 1.89 1.88 0.04 0.00 0.00 177.00 180.93 1w3a h TYR 81 N 1.63 0.19 -2.97 0.56 0.05 -1.77 -3.44 116.97 111.22 1w3a h TYR 81 Ca -0.48 -0.03 -0.49 0.00 0.05 0.00 0.00 58.73 57.78 1w3a h TYR 81 Cb 1.18 -0.05 -0.16 0.00 1.01 0.00 0.00 36.73 38.71 1w3a h TYR 81 CO 0.62 0.37 -0.75 0.14 -1.05 0.00 0.00 178.16 177.50 1w3a s VAL 82 N -4.58 1.83 -2.97 -2.88 -7.23 -1.26 -0.66 120.40 102.65 1w3a s VAL 82 Ca -0.05 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.00 1w3a s VAL 82 Cb 0.15 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 35.10 1w3a s VAL 82 CO 0.73 -0.48 0.00 0.61 -0.31 0.00 0.00 175.10 175.65 1w3a n GLY 83 N -0.16 -0.59 3.40 2.32 0.00 -1.13 -5.01 105.19 104.02 1w3a n GLY 83 Ca -0.10 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 1w3a n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1w3a s GLN 84 N -1.19 1.47 -0.20 1.61 0.74 -1.26 -1.66 119.66 119.18 1w3a s GLN 84 Ca 0.00 -1.54 -0.28 0.00 0.05 0.00 0.00 55.36 53.59 1w3a s GLN 84 Cb 0.00 -1.68 0.12 0.00 1.10 0.00 0.00 33.01 32.55 1w3a s GLN 84 CO 0.00 0.35 0.99 -1.50 -0.55 0.00 0.00 175.29 174.58 1w3a s ILE 85 N -1.94 0.00 1.15 -2.34 2.07 -0.52 -4.90 121.20 114.72 1w3a s ILE 85 Ca 0.21 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.30 1w3a s ILE 85 Cb -0.07 -1.00 0.20 0.00 0.13 0.00 0.00 42.46 41.73 1w3a s ILE 85 CO 0.10 0.00 0.57 0.47 -1.91 0.00 0.00 174.94 174.17 1w3a n ASP 86 N 1.34 -2.00 -1.52 4.50 8.00 -1.26 -0.91 116.55 124.70 1w3a n ASP 86 Ca -0.12 -0.13 -0.01 0.00 0.71 0.00 0.00 54.79 55.25 1w3a n ASP 86 Cb 0.57 -1.13 -0.00 0.00 -0.02 0.00 0.00 41.12 40.53 1w3a n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1w3a n GLY 87 N 1.45 -3.62 3.39 0.44 0.00 -1.26 -4.69 105.19 100.90 1w3a n GLY 87 Ca 0.02 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1w3a n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1w3a n ASP 88 N 0.49 0.54 -0.74 1.61 8.00 -1.26 -2.45 116.55 122.73 1w3a n ASP 88 Ca -0.04 -2.06 -0.05 0.00 0.71 0.00 0.00 54.79 53.35 1w3a n ASP 88 Cb 0.07 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 1w3a n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1w3a n GLY 89 N 4.77 0.31 0.20 0.44 0.00 -1.26 -4.97 105.19 104.69 1w3a n GLY 89 Ca 0.36 -0.62 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 1w3a n GLY 89 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1w3a h ARG 90 N -0.19 0.13 -6.35 1.61 2.43 -1.76 -3.44 114.38 106.81 1w3a h ARG 90 Ca -0.12 -0.01 -0.54 0.00 -0.81 0.00 0.00 59.98 58.50 1w3a h ARG 90 Cb 1.08 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 1w3a h ARG 90 CO 0.13 0.09 -0.21 0.71 -1.51 0.00 0.00 179.97 179.17 1w3a s TYR 91 N -6.16 3.47 0.25 2.20 1.51 -1.26 -4.99 117.35 112.37 1w3a s TYR 91 Ca -0.13 0.61 0.32 0.00 -1.01 0.00 0.00 57.07 56.85 1w3a s TYR 91 Cb 0.16 -2.06 1.43 0.00 -0.11 0.00 0.00 41.96 41.38 1w3a s TYR 91 CO 0.72 0.29 2.02 -1.00 -1.11 0.00 0.00 175.55 176.48 1w3a h PRO 92 N 2.19 0.00 0.00 -1.71 0.13 -2.00 -2.75 132.00 127.86 1w3a h PRO 92 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1w3a h PRO 92 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1w3a h PRO 92 CO 0.69 0.08 0.03 -0.25 -0.23 0.00 0.00 178.00 178.32 1w3a n ASP 93 N -3.28 0.37 -1.01 1.44 8.00 -1.26 -3.16 116.55 117.65 1w3a n ASP 93 Ca -0.01 0.66 0.11 0.00 0.71 0.00 0.00 54.79 56.26 1w3a n ASP 93 Cb 0.29 -0.70 0.16 0.00 -0.02 0.00 0.00 41.12 40.85 1w3a n ASP 93 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1w3a n ASN 94 N -2.00 3.17 -4.56 -2.24 3.02 -1.04 -2.16 115.26 109.45 1w3a n ASN 94 Ca -0.01 -1.95 -0.34 0.00 -0.03 0.00 0.00 54.58 52.26 1w3a n ASN 94 Cb 0.05 -0.15 -0.11 0.00 -0.61 0.00 0.00 39.78 38.96 1w3a n ASN 94 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1w3a s TRP 95 N -1.56 3.04 -0.03 3.10 0.52 -1.19 -3.98 118.94 118.84 1w3a s TRP 95 Ca 0.32 -0.12 0.04 0.00 0.02 0.00 0.00 56.10 56.36 1w3a s TRP 95 Cb 0.20 -1.88 -0.00 0.00 -1.15 0.00 0.00 33.47 30.64 1w3a s TRP 95 CO 0.29 0.14 -0.13 -0.06 0.02 0.00 0.00 176.95 177.21 1w3a s PHE 96 N -0.11 1.31 -0.09 -1.98 0.40 0.19 -4.29 117.98 113.40 1w3a s PHE 96 Ca 0.03 -0.33 -0.19 0.00 -0.60 0.00 0.00 56.93 55.83 1w3a s PHE 96 Cb -0.13 -0.89 -0.04 0.00 0.51 0.00 0.00 43.02 42.47 1w3a s PHE 96 CO 0.02 -0.11 0.53 0.21 0.70 0.00 0.00 175.22 176.57 1w3a s LYS 97 N 0.03 4.34 -0.29 0.44 2.20 0.15 -1.40 119.74 125.21 1w3a s LYS 97 Ca -0.02 0.56 -0.14 0.00 -0.36 0.00 0.00 55.97 56.01 1w3a s LYS 97 Cb -0.09 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 1w3a s LYS 97 CO 0.01 0.19 0.35 0.42 -0.36 0.00 0.00 175.35 175.95 1w3a s ILE 98 N 0.49 5.19 -0.43 5.43 1.01 -1.26 -1.77 121.20 129.85 1w3a s ILE 98 Ca 0.29 0.39 0.04 0.00 0.00 0.00 0.00 60.65 61.37 1w3a s ILE 98 Cb -0.16 -3.71 0.12 0.00 0.01 0.00 0.00 42.46 38.72 1w3a s ILE 98 CO 0.13 0.11 0.17 -1.61 0.00 0.00 0.00 174.94 173.73 1w3a s GLU 99 N 2.02 1.66 0.35 2.79 2.02 -0.82 -4.92 118.70 121.81 1w3a s GLU 99 Ca 0.13 -2.20 -0.28 0.00 0.02 0.00 0.00 54.97 52.64 1w3a s GLU 99 Cb -0.16 -3.12 -0.12 0.00 0.10 0.00 0.00 34.13 30.83 1w3a s GLU 99 CO 0.11 -1.04 1.37 -2.30 0.02 0.00 0.00 175.26 173.41 1w3a n PRO 100 N 3.67 2.32 -1.29 0.39 -0.02 -1.26 -0.92 135.00 137.89 1w3a n PRO 100 Ca 0.05 0.81 -0.19 0.00 -2.02 0.00 0.00 63.50 62.15 1w3a n PRO 100 Cb 0.37 -2.45 0.13 0.00 -0.02 0.00 0.00 33.50 31.52 1w3a n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w3a n GLY 101 N 0.75 -1.18 3.45 -1.23 0.00 -0.23 -4.89 105.19 101.86 1w3a n GLY 101 Ca 0.04 -1.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.11 1w3a n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1w3a s LYS 102 N -4.81 1.60 7.14 1.61 1.02 -1.25 -3.96 119.74 121.09 1w3a s LYS 102 Ca 0.48 -1.81 0.00 0.00 0.02 0.00 0.00 55.97 54.66 1w3a s LYS 102 Cb -0.01 -1.24 0.00 0.00 -0.52 0.00 0.00 37.83 36.06 1w3a s LYS 102 CO 0.34 0.05 0.00 2.41 -0.92 0.00 0.00 175.35 177.23 1w3a n THR 103 N -0.62 0.00 0.92 2.17 -1.04 -1.26 -1.37 114.28 113.08 1w3a n THR 103 Ca -0.05 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.09 1w3a n THR 103 Cb 0.63 0.00 0.54 0.00 -1.82 0.00 0.00 70.33 69.69 1w3a n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1w3a n TYR 104 N 7.95 0.20 -0.91 -1.42 0.18 -1.26 -2.66 117.16 119.25 1w3a n TYR 104 Ca 0.00 0.06 0.08 0.00 1.88 0.00 0.00 57.90 59.92 1w3a n TYR 104 Cb 0.00 -0.58 0.35 0.00 -0.38 0.00 0.00 39.34 38.73 1w3a n TYR 104 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1w3a n LEU 105 N -1.67 4.95 0.17 -3.48 4.77 -0.47 -4.68 117.00 116.60 1w3a n LEU 105 Ca 0.07 -2.92 0.13 0.00 -0.03 0.00 0.00 56.01 53.25 1w3a n LEU 105 Cb 0.36 -0.62 0.30 0.00 -2.33 0.00 0.00 43.42 41.14 1w3a n LEU 105 CO 0.28 0.66 0.85 0.77 -1.33 0.00 0.00 177.39 178.63 1w3a h SER 106 N 3.16 0.00 -0.20 -1.43 4.64 -1.56 -1.59 113.55 116.57 1w3a h SER 106 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1w3a h SER 106 Cb 1.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 1w3a h SER 106 CO 0.37 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.62 1w3a n LYS 107 N -2.73 1.93 -4.13 4.77 5.02 -1.26 -4.69 118.16 117.07 1w3a n LYS 107 Ca 0.04 -1.39 -0.24 0.00 -2.02 0.00 0.00 58.31 54.70 1w3a n LYS 107 Cb 0.47 -1.43 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 1w3a n LYS 107 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1w3a s TYR 108 N -1.75 2.63 0.07 2.13 1.51 -0.62 -4.60 117.35 116.72 1w3a s TYR 108 Ca 0.34 -0.52 -0.21 0.00 -1.01 0.00 0.00 57.07 55.67 1w3a s TYR 108 Cb 0.19 -1.84 0.05 0.00 -0.11 0.00 0.00 41.96 40.25 1w3a s TYR 108 CO 0.28 0.24 0.50 -0.59 -1.11 0.00 0.00 175.55 174.87 1w3a s PHE 109 N -2.55 -0.39 0.39 2.71 -0.12 0.22 -1.06 117.98 117.19 1w3a s PHE 109 Ca 0.40 0.34 -0.05 0.00 -0.05 0.00 0.00 56.93 57.56 1w3a s PHE 109 Cb 0.02 0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 42.70 1w3a s PHE 109 CO 0.22 -0.67 0.68 1.03 -0.05 0.00 0.00 175.22 176.44 1w3a s ARG 110 N -2.82 3.61 -0.57 1.99 0.52 -0.10 -0.74 118.95 120.85 1w3a s ARG 110 Ca -0.03 0.13 0.04 0.00 -0.52 0.00 0.00 55.73 55.34 1w3a s ARG 110 Cb -0.00 -2.50 0.14 0.00 0.52 0.00 0.00 34.95 33.11 1w3a s ARG 110 CO -0.05 0.00 0.32 -0.51 0.02 0.00 0.00 175.30 175.09 1w3a s LEU 111 N -4.15 4.48 -0.17 2.53 1.43 -1.26 -1.94 118.68 119.61 1w3a s LEU 111 Ca 0.46 -3.17 -0.14 0.00 -1.03 0.00 0.00 54.13 50.25 1w3a s LEU 111 Cb -0.10 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 1w3a s LEU 111 CO 0.36 -0.21 0.31 -0.69 0.23 0.00 0.00 176.35 176.35 1w3a s VAL 112 N -0.51 5.29 -0.59 -1.59 1.01 -0.73 -1.87 120.40 121.41 1w3a s VAL 112 Ca 0.19 0.56 -0.16 0.00 0.00 0.00 0.00 61.98 62.57 1w3a s VAL 112 Cb -0.22 -3.64 0.14 0.00 0.00 0.00 0.00 36.38 32.66 1w3a s VAL 112 CO -0.03 0.36 0.56 -1.58 0.00 0.00 0.00 175.10 174.41 1w3a s GLN 113 N 0.62 3.10 0.22 2.72 2.00 0.01 0.32 119.66 128.65 1w3a s GLN 113 Ca 0.17 -1.81 -0.08 0.00 -2.00 0.00 0.00 55.36 51.64 1w3a s GLN 113 Cb -0.13 -4.32 0.19 0.00 0.80 0.00 0.00 33.01 29.55 1w3a s GLN 113 CO 0.05 -1.34 1.85 -1.35 -0.50 0.00 0.00 175.29 174.00 1w3a h PRO 114 N 8.72 1.20 0.00 1.67 0.11 -1.83 -2.10 132.00 139.77 1w3a h PRO 114 Ca -0.23 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 1w3a h PRO 114 Cb 1.09 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1w3a h PRO 114 CO 1.00 0.86 -0.10 0.66 -0.21 0.00 0.00 178.00 180.21 1w3a h SER 115 N 1.20 0.00 0.00 -2.05 4.64 -1.89 -1.77 113.55 113.67 1w3a h SER 115 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1w3a h SER 115 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1w3a h SER 115 CO -0.05 0.10 -0.94 0.35 -0.87 0.00 0.00 176.83 175.42 1w3a n THR 116 N -3.69 0.00 -2.98 2.95 -2.24 -1.11 -5.01 114.28 102.20 1w3a n THR 116 Ca -0.02 -0.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.58 1w3a n THR 116 Cb 0.21 0.96 0.06 0.00 -2.10 0.00 0.00 70.33 69.46 1w3a n THR 116 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w3a n GLY 117 N 1.45 -0.10 2.98 3.38 0.00 -0.67 -4.80 105.19 107.42 1w3a n GLY 117 Ca 0.03 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1w3a n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1w3a s THR 118 N -3.24 0.37 -0.03 2.61 -1.32 -1.14 -1.41 115.64 111.49 1w3a s THR 118 Ca 0.01 -0.47 0.06 0.00 -1.21 0.00 0.00 61.69 60.08 1w3a s THR 118 Cb -0.01 -0.37 -0.01 0.00 -1.51 0.00 0.00 72.50 70.60 1w3a s THR 118 CO 0.50 -0.07 -0.19 0.00 -2.21 0.00 0.00 174.62 172.64 1w3a s ALA 119 N -0.54 1.63 0.45 11.08 0.00 0.82 -0.81 121.76 134.40 1w3a s ALA 119 Ca -0.03 -0.81 -0.22 0.00 0.00 0.00 0.00 51.96 50.90 1w3a s ALA 119 Cb -0.04 -0.45 -0.08 0.00 0.00 0.00 0.00 23.12 22.54 1w3a s ALA 119 CO -0.00 0.36 1.07 -0.51 0.00 0.00 0.00 175.76 176.68 1w3a s LEU 120 N -0.30 3.97 -0.06 0.00 1.43 -0.78 -0.89 118.68 122.05 1w3a s LEU 120 Ca 0.04 2.05 0.03 0.00 -1.03 0.00 0.00 54.13 55.22 1w3a s LEU 120 Cb -0.09 -4.37 0.00 0.00 0.03 0.00 0.00 46.19 41.76 1w3a s LEU 120 CO 0.00 -0.74 -0.16 -0.69 0.23 0.00 0.00 176.35 175.00 1w3a s VAL 121 N -1.77 1.39 -0.21 -1.59 1.01 -0.66 -4.32 120.40 114.24 1w3a s VAL 121 Ca 0.64 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1w3a s VAL 121 Cb -0.21 -1.22 0.06 0.00 0.00 0.00 0.00 36.38 35.01 1w3a s VAL 121 CO 0.26 0.41 0.02 -0.55 0.00 0.00 0.00 175.10 175.23 1w3a s SER 122 N 0.34 3.18 0.07 3.32 0.15 0.11 -2.36 113.70 118.52 1w3a s SER 122 Ca -0.10 -0.95 -0.10 0.00 0.70 0.00 0.00 55.95 55.50 1w3a s SER 122 Cb -0.14 -0.74 0.01 0.00 -1.71 0.00 0.00 66.02 63.43 1w3a s SER 122 CO 0.04 -0.30 0.22 0.00 1.20 0.00 0.00 173.24 174.40 1w3a s ARG 123 N 1.74 0.80 -0.00 5.44 1.70 -0.93 -3.13 118.95 124.56 1w3a s ARG 123 Ca -0.02 -0.77 0.09 0.00 -0.47 0.00 0.00 55.73 54.57 1w3a s ARG 123 Cb -0.17 0.33 -0.12 0.00 -0.57 0.00 0.00 34.95 34.42 1w3a s ARG 123 CO -0.08 -0.25 0.34 0.25 -1.08 0.00 0.00 175.30 174.47 1w3a n THR 124 N 0.29 0.00 0.49 4.99 -2.24 -1.26 -4.52 114.28 112.02 1w3a n THR 124 Ca -0.17 -0.26 0.13 0.00 -2.27 0.00 0.00 64.05 61.48 1w3a n THR 124 Cb 0.61 0.78 0.33 0.00 -2.10 0.00 0.00 70.33 69.95 1w3a n THR 124 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1w3a h HIS 125 N 0.00 0.00 -2.85 4.78 -0.00 -1.97 -3.47 115.15 111.64 1w3a h HIS 125 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.28 1w3a h HIS 125 Cb 0.29 0.00 -0.19 0.00 -0.00 0.00 0.00 27.41 27.51 1w3a h HIS 125 CO 0.00 0.00 -0.13 -1.17 -0.00 0.00 0.00 177.93 176.63 1w3a s LEU 126 N -5.09 0.43 0.01 6.12 0.20 -1.26 -5.17 118.68 113.92 1w3a s LEU 126 Ca 0.09 0.16 0.01 0.00 0.69 0.00 0.00 54.13 55.09 1w3a s LEU 126 Cb 0.10 1.66 -0.04 0.00 -0.43 0.00 0.00 46.19 47.48 1w3a s LEU 126 CO 0.62 -0.55 0.04 -1.58 -0.29 0.00 0.00 176.35 174.58 1w3a s GLN 127 N -1.72 2.87 0.47 1.98 0.74 -1.26 -3.47 119.66 119.27 1w3a s GLN 127 Ca -0.10 -0.59 -0.22 0.00 0.05 0.00 0.00 55.36 54.50 1w3a s GLN 127 Cb -0.03 -2.73 -0.08 0.00 1.10 0.00 0.00 33.01 31.28 1w3a s GLN 127 CO 0.03 0.62 1.12 -2.14 -0.55 0.00 0.00 175.29 174.37 1w3a s PRO 128 N -1.75 3.76 0.13 1.67 0.02 -1.26 -5.10 135.00 132.48 1w3a s PRO 128 Ca 0.22 1.63 -0.14 0.00 0.02 0.00 0.00 61.00 62.73 1w3a s PRO 128 Cb -0.12 -2.31 -0.01 0.00 0.02 0.00 0.00 34.50 32.09 1w3a s PRO 128 CO 0.13 -0.51 1.58 1.88 -0.33 0.00 0.00 177.00 179.75 1w3a h TYR 129 N 1.90 0.83 -3.79 6.54 0.99 -1.79 -3.37 116.97 118.29 1w3a h TYR 129 Ca -0.49 -0.14 -0.66 0.00 2.00 0.00 0.00 58.73 59.44 1w3a h TYR 129 Cb 1.24 -0.22 -0.19 0.00 1.00 0.00 0.00 36.73 38.57 1w3a h TYR 129 CO 0.54 0.81 -0.51 0.12 -0.00 0.00 0.00 178.16 179.12 1w3a s PHE 130 N -5.02 3.21 0.00 4.88 5.36 -1.26 -2.20 117.98 122.95 1w3a s PHE 130 Ca -0.13 -0.11 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 1w3a s PHE 130 Cb 0.11 -2.41 0.00 0.00 -0.34 0.00 0.00 43.02 40.38 1w3a s PHE 130 CO 0.80 -0.28 0.00 1.87 -1.46 0.00 0.00 175.22 176.15 1w3a n TRP 131 N 5.06 0.00 -4.29 10.12 -0.00 -0.99 -4.93 117.44 122.42 1w3a n TRP 131 Ca -0.14 0.00 -0.19 0.00 -0.00 0.00 0.00 57.50 57.17 1w3a n TRP 131 Cb 0.51 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.74 1w3a n TRP 131 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1w3a n ASN 132 N 0.00 -0.64 -3.67 5.87 0.23 -1.26 -1.65 115.26 114.14 1w3a n ASN 132 Ca 0.00 -3.16 -0.15 0.00 -0.53 0.00 0.00 54.58 50.74 1w3a n ASN 132 Cb 0.00 1.63 -0.08 0.00 -2.08 0.00 0.00 39.78 39.26 1w3a n ASN 132 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1w3a s HIS 133 N -3.33 -0.37 -0.10 -2.53 2.46 -0.07 -4.84 115.29 106.52 1w3a s HIS 133 Ca 0.39 0.63 -0.37 0.00 0.47 0.00 0.00 55.06 56.18 1w3a s HIS 133 Cb 0.02 0.22 -0.14 0.00 -0.13 0.00 0.00 32.58 32.54 1w3a s HIS 133 CO 0.27 -0.47 1.70 -2.30 -2.47 0.00 0.00 174.74 171.47 1w3a n PRO 134 N 1.19 1.61 0.04 2.88 -0.02 -1.26 -0.12 135.00 139.31 1w3a n PRO 134 Ca -0.20 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 61.99 1w3a n PRO 134 Cb 0.56 -2.32 0.58 0.00 -0.02 0.00 0.00 33.50 32.30 1w3a n PRO 134 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1w3a h GLN 135 N 7.22 0.20 0.00 -0.52 4.15 -1.52 -2.63 115.11 122.01 1w3a h GLN 135 Ca -0.47 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 58.90 1w3a h GLN 135 Cb 1.30 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.94 1w3a h GLN 135 CO 0.92 0.13 -0.16 1.79 -1.93 0.00 0.00 178.83 179.58 1w3a h THR 136 N 0.21 0.65 -3.02 2.39 1.35 -1.88 -3.37 112.91 109.24 1w3a h THR 136 Ca 0.19 -0.68 -0.73 0.00 -0.55 0.00 0.00 66.41 64.64 1w3a h THR 136 Cb 0.47 1.43 -0.22 0.00 -1.73 0.00 0.00 68.15 68.10 1w3a h THR 136 CO -0.03 0.15 -0.04 -0.70 -0.25 0.00 0.00 175.52 174.66 1w3a s GLU 137 N -4.14 3.05 -0.35 4.72 2.12 -0.99 -5.04 118.70 118.06 1w3a s GLU 137 Ca -0.02 -1.57 -0.21 0.00 0.36 0.00 0.00 54.97 53.53 1w3a s GLU 137 Cb 0.13 -4.30 0.00 0.00 0.26 0.00 0.00 34.13 30.22 1w3a s GLU 137 CO 0.61 -1.43 0.66 0.08 -0.54 0.00 0.00 175.26 174.63 1w3a s VAL 138 N 2.05 4.88 0.26 3.70 1.01 -1.26 -4.84 120.40 126.20 1w3a s VAL 138 Ca 0.08 0.69 0.10 0.00 0.00 0.00 0.00 61.98 62.85 1w3a s VAL 138 Cb -0.26 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1w3a s VAL 138 CO 0.04 -0.29 -0.06 -0.36 0.00 0.00 0.00 175.10 174.42 1w3a s PHE 139 N 2.75 2.59 0.43 5.22 0.40 -1.26 -5.04 117.98 123.07 1w3a s PHE 139 Ca 0.26 -0.25 0.23 0.00 -0.60 0.00 0.00 56.93 56.57 1w3a s PHE 139 Cb -0.14 -1.16 1.29 0.00 0.51 0.00 0.00 43.02 43.52 1w3a s PHE 139 CO 0.14 0.63 2.04 -0.44 0.70 0.00 0.00 175.22 178.29 1w3a h ASP 140 N 2.14 0.00 0.00 1.36 5.19 -2.00 -2.84 116.42 120.26 1w3a h ASP 140 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1w3a h ASP 140 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 1w3a h ASP 140 CO 0.59 0.15 0.00 -0.90 -3.12 0.00 0.00 179.24 175.96 1w3a n ASP 141 N -3.89 0.00 -0.94 6.45 5.75 -1.26 -2.71 116.55 119.95 1w3a n ASP 141 Ca -0.02 -1.69 0.11 0.00 -0.01 0.00 0.00 54.79 53.18 1w3a n ASP 141 Cb 0.24 0.00 0.27 0.00 -1.03 0.00 0.00 41.12 40.60 1w3a n ASP 141 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1w3a n GLN 142 N -0.62 2.22 -4.10 0.11 6.02 -1.07 0.09 117.38 120.03 1w3a n GLN 142 Ca 0.06 -1.85 -0.34 0.00 -0.01 0.00 0.00 57.00 54.85 1w3a n GLN 142 Cb 0.03 -1.46 -0.07 0.00 1.02 0.00 0.00 30.24 29.75 1w3a n GLN 142 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1w3a s TYR 143 N -1.56 3.35 0.05 1.08 1.51 -1.10 -4.18 117.35 116.50 1w3a s TYR 143 Ca 0.36 0.29 0.03 0.00 -1.01 0.00 0.00 57.07 56.73 1w3a s TYR 143 Cb 0.20 -1.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 1w3a s TYR 143 CO 0.29 0.58 -0.09 -0.06 -1.11 0.00 0.00 175.55 175.17 1w3a s PHE 144 N -1.10 0.74 0.17 2.71 0.40 0.08 -1.50 117.98 119.48 1w3a s PHE 144 Ca 0.19 -0.51 0.06 0.00 -0.60 0.00 0.00 56.93 56.08 1w3a s PHE 144 Cb -0.12 -0.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.93 1w3a s PHE 144 CO 0.10 -0.07 -0.13 -0.08 0.70 0.00 0.00 175.22 175.74 1w3a s THR 145 N -1.46 1.48 -0.06 0.64 -1.32 0.21 -0.61 115.64 114.52 1w3a s THR 145 Ca -0.08 -2.10 -0.26 0.00 -1.21 0.00 0.00 61.69 58.04 1w3a s THR 145 Cb -0.09 -1.91 -0.03 0.00 -1.51 0.00 0.00 72.50 68.96 1w3a s THR 145 CO 0.00 -0.63 0.82 -0.36 -2.21 0.00 0.00 174.62 172.24 1w3a s PHE 146 N -3.00 3.58 -0.60 9.09 2.99 -1.26 -1.97 117.98 126.81 1w3a s PHE 146 Ca 0.19 1.41 -0.01 0.00 0.00 0.00 0.00 56.93 58.52 1w3a s PHE 146 Cb -0.00 -2.95 0.15 0.00 0.00 0.00 0.00 43.02 40.22 1w3a s PHE 146 CO 0.04 0.00 0.39 -1.17 -0.00 0.00 0.00 175.22 174.48 1w3a s LEU 147 N 1.09 4.99 0.78 -0.37 0.20 -0.93 -4.97 118.68 119.46 1w3a s LEU 147 Ca 0.43 -2.89 -0.12 0.00 0.69 0.00 0.00 54.13 52.24 1w3a s LEU 147 Cb -0.19 -1.80 0.06 0.00 -0.43 0.00 0.00 46.19 43.84 1w3a s LEU 147 CO 0.21 -0.33 1.12 -0.36 -0.29 0.00 0.00 176.35 176.69 1w3a s PHE 148 N -0.12 2.34 0.82 5.38 0.40 -1.26 -1.12 117.98 124.41 1w3a s PHE 148 Ca 0.17 1.61 -0.11 0.00 -0.60 0.00 0.00 56.93 57.99 1w3a s PHE 148 Cb -0.22 -3.17 0.09 0.00 0.51 0.00 0.00 43.02 40.23 1w3a s PHE 148 CO -0.03 -2.06 1.14 -1.83 0.70 0.00 0.00 175.22 173.14 1w3a s GLU 149 N -4.61 1.69 0.19 0.44 -1.05 -0.73 -4.84 118.70 109.78 1w3a s GLU 149 Ca 0.65 1.48 -0.31 0.00 -0.15 0.00 0.00 54.97 56.64 1w3a s GLU 149 Cb -0.20 -1.81 -0.10 0.00 -0.44 0.00 0.00 34.13 31.58 1w3a s GLU 149 CO 0.53 -2.12 1.57 0.34 0.95 0.00 0.00 175.26 176.53 1w3a s ASP 150 N -2.73 6.56 -0.03 0.83 -1.08 -1.26 -4.99 116.67 113.97 1w3a s ASP 150 Ca 0.67 2.67 0.04 0.00 -0.52 0.00 0.00 52.55 55.40 1w3a s ASP 150 Cb -0.22 -2.60 -0.00 0.00 -1.46 0.00 0.00 42.92 38.63 1w3a s ASP 150 CO 0.54 -0.83 -0.15 -0.32 0.52 0.00 0.00 175.17 174.93 1w3a s MET 151 N 0.87 1.49 -0.10 4.34 1.75 -1.26 -2.88 119.30 123.51 1w3a s MET 151 Ca 0.69 -0.52 -0.10 0.00 -1.25 0.00 0.00 55.69 54.50 1w3a s MET 151 Cb -0.44 -1.33 -0.05 0.00 2.84 0.00 0.00 34.83 35.85 1w3a s MET 151 CO 0.34 0.22 0.24 -1.54 -0.65 0.00 0.00 175.02 173.63 1w3a s SER 152 N 0.02 6.50 -0.65 1.11 1.04 -0.45 -4.90 113.70 116.38 1w3a s SER 152 Ca -0.02 0.60 -0.20 0.00 0.48 0.00 0.00 55.95 56.81 1w3a s SER 152 Cb -0.10 -2.14 0.10 0.00 0.10 0.00 0.00 66.02 63.98 1w3a s SER 152 CO 0.01 0.32 0.81 -0.63 0.98 0.00 0.00 173.24 174.73 1w3a s ILE 153 N -0.71 4.72 0.11 -1.02 1.01 -1.26 -2.12 121.20 121.93 1w3a s ILE 153 Ca 0.17 -0.94 0.09 0.00 0.00 0.00 0.00 60.65 59.97 1w3a s ILE 153 Cb -0.13 -4.56 -0.14 0.00 0.01 0.00 0.00 42.46 37.63 1w3a s ILE 153 CO 0.06 -1.24 1.36 0.44 0.00 0.00 0.00 174.94 175.56 1w3a h ASP 154 N 9.20 0.00 -3.53 3.58 3.32 -1.23 -3.48 116.42 124.28 1w3a h ASP 154 Ca -0.24 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.83 1w3a h ASP 154 Cb 1.08 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.39 1w3a h ASP 154 CO 1.11 0.87 0.31 -0.75 -1.72 0.00 0.00 179.24 179.06 1w3a s LYS 155 N -2.88 0.65 -0.15 3.56 2.20 -1.16 -4.99 119.74 116.96 1w3a s LYS 155 Ca 0.01 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.40 1w3a s LYS 155 Cb 0.10 0.31 -0.00 0.00 -1.51 0.00 0.00 37.83 36.73 1w3a s LYS 155 CO 0.80 -0.08 -0.15 0.42 -0.36 0.00 0.00 175.35 175.98 1w3a s ILE 156 N 0.33 2.70 -0.22 5.43 -1.09 -1.26 -1.02 121.20 126.07 1w3a s ILE 156 Ca 0.01 -0.76 0.02 0.00 -2.23 0.00 0.00 60.65 57.69 1w3a s ILE 156 Cb -0.05 -2.13 0.05 0.00 -1.58 0.00 0.00 42.46 38.74 1w3a s ILE 156 CO -0.03 0.52 -0.11 -1.61 -1.23 0.00 0.00 174.94 172.47 1w3a s GLU 157 N 0.71 2.17 0.36 2.79 2.02 -0.51 -5.00 118.70 121.25 1w3a s GLU 157 Ca -0.07 -1.03 -0.17 0.00 0.02 0.00 0.00 54.97 53.73 1w3a s GLU 157 Cb -0.16 -2.61 -0.09 0.00 0.10 0.00 0.00 34.13 31.37 1w3a s GLU 157 CO 0.01 -0.47 0.80 0.71 0.02 0.00 0.00 175.26 176.34 1w3a s TYR 158 N 1.28 3.36 -1.07 1.61 1.51 -1.26 -1.63 117.35 121.15 1w3a s TYR 158 Ca -0.04 1.33 -0.12 0.00 -1.01 0.00 0.00 57.07 57.24 1w3a s TYR 158 Cb -0.17 -2.63 0.23 0.00 -0.11 0.00 0.00 41.96 39.28 1w3a s TYR 158 CO -0.07 0.02 1.13 0.34 -1.11 0.00 0.00 175.55 175.85 1w3a s ASP 159 N -2.30 7.12 0.33 2.29 2.15 -0.63 -4.91 116.67 120.73 1w3a s ASP 159 Ca 0.56 -3.19 0.07 0.00 0.43 0.00 0.00 52.55 50.43 1w3a s ASP 159 Cb -0.10 -2.27 0.58 0.00 -0.30 0.00 0.00 42.92 40.83 1w3a s ASP 159 CO 0.17 -0.50 1.79 -0.07 -0.17 0.00 0.00 175.17 176.39 1w3a h LEU 160 N 7.85 0.28 -2.15 -1.34 3.38 -1.91 -2.76 115.31 118.65 1w3a h LEU 160 Ca 0.20 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1w3a h LEU 160 Cb 0.91 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1w3a h LEU 160 CO 1.03 0.55 0.05 0.07 0.09 0.00 0.00 178.44 180.23 1w3a h LYS 161 N 0.25 0.00 -0.63 1.13 2.10 -1.91 -2.28 116.57 115.24 1w3a h LYS 161 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1w3a h LYS 161 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1w3a h LYS 161 CO 0.04 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.24 1w3a n ASP 162 N -4.27 5.13 -4.70 7.07 8.00 -1.04 -4.97 116.55 121.78 1w3a n ASP 162 Ca -0.02 -2.77 -0.32 0.00 0.71 0.00 0.00 54.79 52.40 1w3a n ASP 162 Cb 0.15 -0.65 0.14 0.00 -0.02 0.00 0.00 41.12 40.74 1w3a n ASP 162 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1w3a s GLY 163 N -0.72 1.83 -0.16 0.44 0.00 -0.86 -4.66 107.32 103.19 1w3a s GLY 163 Ca 0.49 0.61 -0.12 0.00 0.00 0.00 0.00 44.72 45.70 1w3a s GLY 163 CO 0.15 1.02 0.42 -1.60 0.00 0.00 0.00 173.10 173.09 1w3a s ARG 164 N -4.53 0.44 -0.27 2.90 3.52 -0.81 -5.03 118.95 115.18 1w3a s ARG 164 Ca 0.68 0.69 -0.13 0.00 -0.13 0.00 0.00 55.73 56.83 1w3a s ARG 164 Cb -0.23 0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.22 1w3a s ARG 164 CO 0.55 -0.11 0.30 0.42 -0.81 0.00 0.00 175.30 175.65 1w3a s ILE 165 N 0.84 5.24 -0.13 4.11 1.01 -1.26 -1.85 121.20 129.15 1w3a s ILE 165 Ca -0.05 0.41 0.21 0.00 0.00 0.00 0.00 60.65 61.22 1w3a s ILE 165 Cb -0.06 -3.63 -0.18 0.00 0.01 0.00 0.00 42.46 38.60 1w3a s ILE 165 CO -0.06 0.21 0.69 0.18 0.00 0.00 0.00 174.94 175.95 1w3a n LEU 166 N 5.11 0.44 -3.69 2.97 4.77 -0.78 -4.97 117.00 120.85 1w3a n LEU 166 Ca -0.11 0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 1w3a n LEU 166 Cb 0.51 0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.60 1w3a n LEU 166 CO 0.36 0.01 0.12 -0.94 -1.33 0.00 0.00 177.39 175.61 1w3a s SER 167 N -5.13 -0.17 -0.30 -1.43 1.04 -1.17 -4.91 113.70 101.64 1w3a s SER 167 Ca -0.05 -0.41 -0.12 0.00 0.48 0.00 0.00 55.95 55.85 1w3a s SER 167 Cb 0.11 0.46 0.13 0.00 0.10 0.00 0.00 66.02 66.82 1w3a s SER 167 CO 0.84 -0.85 0.73 -0.55 0.98 0.00 0.00 173.24 174.39 1w3a s SER 168 N -2.83 -1.00 0.01 7.02 0.15 -1.26 -3.61 113.70 112.18 1w3a s SER 168 Ca 0.04 1.40 0.01 0.00 0.70 0.00 0.00 55.95 58.11 1w3a s SER 168 Cb 0.02 2.05 -0.01 0.00 -1.71 0.00 0.00 66.02 66.37 1w3a s SER 168 CO -0.10 -0.20 -0.04 -0.89 1.20 0.00 0.00 173.24 173.21 1w3a s THR 169 N 2.62 0.27 0.19 6.45 2.01 -0.31 -4.99 115.64 121.88 1w3a s THR 169 Ca -0.06 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 1w3a s THR 169 Cb -0.10 -0.28 -0.09 0.00 0.01 0.00 0.00 72.50 72.05 1w3a s THR 169 CO -0.19 -0.08 1.29 -2.16 -0.69 0.00 0.00 174.62 172.80 1w3a s PRO 170 N -0.49 4.40 -0.19 4.92 0.04 -1.26 -1.41 135.00 141.01 1w3a s PRO 170 Ca -0.03 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.04 1w3a s PRO 170 Cb -0.04 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.32 1w3a s PRO 170 CO -0.00 -0.23 -0.19 -0.80 0.04 0.00 0.00 177.00 175.82 1w3a s ASN 171 N 0.33 3.25 -0.32 6.66 0.02 0.88 -4.90 114.94 120.87 1w3a s ASN 171 Ca 0.56 -0.71 -0.27 0.00 -1.02 0.00 0.00 52.86 51.42 1w3a s ASN 171 Cb -0.36 -1.49 0.01 0.00 0.02 0.00 0.00 41.25 39.44 1w3a s ASN 171 CO 0.38 -0.02 0.98 0.54 0.02 0.00 0.00 177.10 179.00 1w3a s VAL 172 N 1.27 4.60 -0.06 1.60 0.11 -1.26 -1.66 120.40 125.00 1w3a s VAL 172 Ca 0.04 1.54 -0.23 0.00 -2.93 0.00 0.00 61.98 60.40 1w3a s VAL 172 Cb -0.14 -4.33 -0.18 0.00 -1.53 0.00 0.00 36.38 30.20 1w3a s VAL 172 CO -0.12 -0.41 0.91 -0.07 -3.33 0.00 0.00 175.10 172.08 1w3a h LEU 173 N 9.89 -0.10 -6.63 2.54 3.38 -1.44 -3.44 115.31 119.51 1w3a h LEU 173 Ca -0.22 -0.50 -0.31 0.00 0.09 0.00 0.00 57.88 56.94 1w3a h LEU 173 Cb 1.07 0.03 -0.34 0.00 0.09 0.00 0.00 40.66 41.51 1w3a h LEU 173 CO 0.99 0.53 -0.62 0.00 0.09 0.00 0.00 178.44 179.42 1w3a s ALA 174 N -3.49 -0.41 0.00 1.53 0.00 -1.11 -5.02 121.76 113.25 1w3a s ALA 174 Ca -0.14 0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1w3a s ALA 174 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.55 1w3a s ALA 174 CO 0.55 -1.44 0.19 2.41 0.00 0.00 0.00 175.76 177.46 1w3a n THR 175 N 5.32 0.00 0.00 0.00 -1.04 -1.26 -2.02 114.28 115.28 1w3a n THR 175 Ca -0.04 0.41 0.00 0.00 -2.04 0.00 0.00 64.05 62.38 1w3a n THR 175 Cb 0.48 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 1w3a n THR 175 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1w3a n GLN 176 N -0.81 0.00 -2.19 -2.82 6.02 -1.26 -4.41 117.38 111.91 1w3a n GLN 176 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1w3a n GLN 176 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1w3a n GLN 176 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1w3a n THR 177 N 0.00 0.00 -3.92 5.09 -1.04 -1.26 -4.45 114.28 108.70 1w3a n THR 177 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1w3a n THR 177 Cb 0.00 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.34 1w3a n THR 177 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1w3a s LEU 178 N -2.54 0.98 0.09 -4.42 0.05 -1.26 -1.97 118.68 109.60 1w3a s LEU 178 Ca 0.00 -0.19 0.03 0.00 0.05 0.00 0.00 54.13 54.02 1w3a s LEU 178 Cb 0.00 -0.62 -0.04 0.00 -2.05 0.00 0.00 46.19 43.48 1w3a s LEU 178 CO 0.00 -0.13 -0.09 -1.83 -0.55 0.00 0.00 176.35 173.75 1w3a s GLU 179 N 1.66 0.80 -0.03 1.48 -1.05 -1.03 -5.01 118.70 115.52 1w3a s GLU 179 Ca 0.02 -1.16 -0.12 0.00 -0.15 0.00 0.00 54.97 53.56 1w3a s GLU 179 Cb -0.13 -0.41 0.02 0.00 -0.44 0.00 0.00 34.13 33.17 1w3a s GLU 179 CO -0.05 0.05 0.27 0.54 0.95 0.00 0.00 175.26 177.02 1w3a s ASN 180 N -2.51 -0.17 -0.46 0.83 2.20 -1.26 -3.09 114.94 110.48 1w3a s ASN 180 Ca 0.05 0.15 0.06 0.00 -0.94 0.00 0.00 52.86 52.18 1w3a s ASN 180 Cb -0.02 0.36 0.22 0.00 -2.00 0.00 0.00 41.25 39.82 1w3a s ASN 180 CO -0.01 -0.35 0.68 0.35 -2.94 0.00 0.00 177.10 174.83 1w3a n THR 181 N 1.72 -0.36 0.00 0.54 -2.24 -1.26 -5.11 114.28 107.57 1w3a n THR 181 Ca -0.20 -2.35 0.00 0.00 -2.27 0.00 0.00 64.05 59.24 1w3a n THR 181 Cb 0.56 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1w3a n THR 181 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1w3a n SER 182 N 2.01 0.00 0.00 3.42 2.88 -1.26 -4.64 113.62 116.03 1w3a n SER 182 Ca 0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1w3a n SER 182 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1w3a n SER 182 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1w3a n SER 183 N 0.00 0.00 0.00 -3.46 7.64 -1.26 -2.97 113.62 113.56 1w3a n SER 183 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1w3a n SER 183 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1w3a n SER 183 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1w3a n GLN 184 N 0.00 0.00 0.00 1.43 1.13 -1.26 -4.78 117.38 113.90 1w3a n GLN 184 Ca 0.00 0.41 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 1w3a n GLN 184 Cb 0.00 -0.64 0.00 0.00 0.11 0.00 0.00 30.24 29.71 1w3a n GLN 184 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1w3a n THR 185 N -2.01 0.00 0.00 5.09 -1.04 -1.26 -4.85 114.28 110.21 1w3a n THR 185 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1w3a n THR 185 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1w3a n THR 185 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1w3a n GLN 186 N 12.97 0.00 -4.71 -2.82 -0.06 -1.26 -5.08 117.38 116.42 1w3a n GLN 186 Ca 0.00 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.67 1w3a n GLN 186 Cb 0.00 0.00 -0.14 0.00 -4.06 0.00 0.00 30.24 26.04 1w3a n GLN 186 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1w3a s GLU 187 N -1.98 3.33 -0.22 3.69 0.41 -1.26 -3.89 118.70 118.78 1w3a s GLU 187 Ca 0.00 -0.65 -0.02 0.00 -0.41 0.00 0.00 54.97 53.89 1w3a s GLU 187 Cb 0.00 -2.66 0.07 0.00 -1.78 0.00 0.00 34.13 29.76 1w3a s GLU 187 CO 0.00 0.28 0.02 -1.64 -0.49 0.00 0.00 175.26 173.43 1w3a s MET 188 N 0.20 0.90 0.05 1.61 -1.94 -1.26 -4.91 119.30 113.94 1w3a s MET 188 Ca -0.07 -0.66 -0.08 0.00 -1.71 0.00 0.00 55.69 53.17 1w3a s MET 188 Cb -0.15 -2.21 -0.05 0.00 2.01 0.00 0.00 34.83 34.43 1w3a s MET 188 CO 0.05 -0.69 0.33 0.45 -0.01 0.00 0.00 175.02 175.15 1w3a s SER 189 N 1.71 6.55 -0.01 3.03 0.15 -1.26 -2.33 113.70 121.55 1w3a s SER 189 Ca -0.01 0.65 0.05 0.00 0.70 0.00 0.00 55.95 57.35 1w3a s SER 189 Cb -0.18 -2.12 -0.01 0.00 -1.71 0.00 0.00 66.02 62.00 1w3a s SER 189 CO -0.10 0.20 -0.17 -0.36 1.20 0.00 0.00 173.24 174.01 1w3a s PHE 190 N -1.37 1.56 -0.01 3.44 2.99 0.05 -4.98 117.98 119.66 1w3a s PHE 190 Ca 0.31 -0.30 0.07 0.00 0.00 0.00 0.00 56.93 57.01 1w3a s PHE 190 Cb -0.13 -0.99 -0.02 0.00 0.00 0.00 0.00 43.02 41.87 1w3a s PHE 190 CO 0.18 -0.01 -0.23 -0.80 -0.00 0.00 0.00 175.22 174.36 1w3a s ASN 191 N -0.51 2.65 -0.15 1.36 0.01 -1.26 -2.49 114.94 114.55 1w3a s ASN 191 Ca 0.06 -0.43 0.00 0.00 -0.71 0.00 0.00 52.86 51.79 1w3a s ASN 191 Cb -0.07 -0.29 0.03 0.00 0.41 0.00 0.00 41.25 41.33 1w3a s ASN 191 CO -0.00 0.27 -0.10 -0.22 -1.51 0.00 0.00 177.10 175.53 1w3a s LEU 192 N -0.62 1.63 -0.28 0.60 0.20 -0.37 -4.99 118.68 114.85 1w3a s LEU 192 Ca 0.09 -0.53 -0.03 0.00 0.69 0.00 0.00 54.13 54.35 1w3a s LEU 192 Cb -0.09 -1.06 0.11 0.00 -0.43 0.00 0.00 46.19 44.72 1w3a s LEU 192 CO -0.00 -0.11 0.17 -0.55 -0.29 0.00 0.00 176.35 175.57 1w3a s SER 193 N 1.56 3.01 -0.01 3.68 0.15 -1.24 -2.56 113.70 118.29 1w3a s SER 193 Ca 0.03 -1.12 0.01 0.00 0.70 0.00 0.00 55.95 55.58 1w3a s SER 193 Cb -0.14 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1w3a s SER 193 CO -0.09 -0.42 -0.04 -1.10 1.20 0.00 0.00 173.24 172.78 1w3a s GLN 194 N 2.17 0.46 -0.15 5.44 -1.52 -1.10 -4.98 119.66 119.97 1w3a s GLN 194 Ca 0.09 -0.14 0.01 0.00 -1.95 0.00 0.00 55.36 53.37 1w3a s GLN 194 Cb -0.15 -0.47 -0.00 0.00 -0.22 0.00 0.00 33.01 32.16 1w3a s GLN 194 CO -0.35 0.05 -0.16 0.99 -0.25 0.00 0.00 175.29 175.57 1w3a s THR 195 N 0.18 2.58 -0.11 -0.19 2.01 -1.26 -1.34 115.64 117.50 1w3a s THR 195 Ca -0.02 -0.80 -0.00 0.00 0.31 0.00 0.00 61.69 61.18 1w3a s THR 195 Cb -0.05 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 1w3a s THR 195 CO -0.00 0.52 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.59 1w3a s LEU 196 N 0.78 2.94 -0.52 4.42 1.43 -0.72 -4.97 118.68 122.04 1w3a s LEU 196 Ca -0.06 -0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 52.56 1w3a s LEU 196 Cb -0.15 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.43 1w3a s LEU 196 CO 0.00 0.24 1.21 -0.89 0.23 0.00 0.00 176.35 177.14 1w3a s THR 197 N -0.06 4.06 0.71 5.49 2.01 -1.26 -1.88 115.64 124.71 1w3a s THR 197 Ca -0.01 1.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.98 1w3a s THR 197 Cb -0.14 -4.61 0.11 0.00 0.01 0.00 0.00 72.50 67.87 1w3a s THR 197 CO 0.03 -1.15 0.98 -1.10 -0.69 0.00 0.00 174.62 172.70 1w3a s GLN 198 N 4.81 1.78 0.05 4.92 -1.52 0.99 -4.94 119.66 125.74 1w3a s GLN 198 Ca 0.47 -0.95 0.00 0.00 -1.95 0.00 0.00 55.36 52.94 1w3a s GLN 198 Cb -0.08 -2.31 -0.03 0.00 -0.22 0.00 0.00 33.01 30.37 1w3a s GLN 198 CO 0.29 -1.39 -0.04 0.99 -0.25 0.00 0.00 175.29 174.89 1w3a s THR 199 N -3.14 0.30 -0.23 -0.19 2.01 -0.76 -1.94 115.64 111.69 1w3a s THR 199 Ca 0.65 -1.42 -0.12 0.00 0.31 0.00 0.00 61.69 61.11 1w3a s THR 199 Cb -0.06 -0.98 0.07 0.00 0.01 0.00 0.00 72.50 71.54 1w3a s THR 199 CO 0.44 -0.72 0.55 -0.55 -0.69 0.00 0.00 174.62 173.65 1w3a s SER 200 N -2.24 -0.73 -0.08 3.53 0.15 -0.70 -3.83 113.70 109.79 1w3a s SER 200 Ca -0.03 1.21 -0.03 0.00 0.70 0.00 0.00 55.95 57.80 1w3a s SER 200 Cb -0.01 1.12 0.05 0.00 -1.71 0.00 0.00 66.02 65.47 1w3a s SER 200 CO -0.05 -0.22 0.17 -0.89 1.20 0.00 0.00 173.24 173.46 1w3a s THR 201 N 1.59 -0.19 -0.49 6.45 2.01 -0.27 -0.98 115.64 123.75 1w3a s THR 201 Ca -0.09 0.27 -0.12 0.00 0.31 0.00 0.00 61.69 62.05 1w3a s THR 201 Cb -0.07 -0.30 0.12 0.00 0.01 0.00 0.00 72.50 72.26 1w3a s THR 201 CO -0.16 0.11 0.40 -0.36 -0.69 0.00 0.00 174.62 173.92 1w3a s PHE 202 N 1.84 3.33 -0.19 4.92 0.40 -1.26 -1.57 117.98 125.45 1w3a s PHE 202 Ca -0.02 -1.54 -0.09 0.00 -0.60 0.00 0.00 56.93 54.68 1w3a s PHE 202 Cb -0.12 -3.55 -0.05 0.00 0.51 0.00 0.00 43.02 39.82 1w3a s PHE 202 CO -0.06 -0.98 0.13 0.00 0.70 0.00 0.00 175.22 175.01 1w3a s ALA 203 N 1.48 3.70 0.51 5.36 0.00 -0.64 -1.51 121.76 130.66 1w3a s ALA 203 Ca 0.04 -0.69 -0.23 0.00 0.00 0.00 0.00 51.96 51.09 1w3a s ALA 203 Cb -0.27 -2.13 -0.06 0.00 0.00 0.00 0.00 23.12 20.65 1w3a s ALA 203 CO 0.02 0.22 1.37 -0.47 0.00 0.00 0.00 175.76 176.90 1w3a s TYR 204 N 0.17 2.37 0.05 0.00 5.04 -1.26 -1.60 117.35 122.12 1w3a s TYR 204 Ca 0.09 1.34 0.00 0.00 -2.44 0.00 0.00 57.07 56.06 1w3a s TYR 204 Cb -0.11 -3.82 0.00 0.00 0.35 0.00 0.00 41.96 38.37 1w3a s TYR 204 CO -0.01 -2.85 0.00 2.41 -1.34 0.00 0.00 175.55 173.75 1w3a n THR 205 N -0.72 0.06 -3.98 4.34 -1.04 -0.70 -4.76 114.28 107.48 1w3a n THR 205 Ca 0.08 0.02 -0.10 0.00 -2.04 0.00 0.00 64.05 62.01 1w3a n THR 205 Cb 0.44 -0.75 -0.04 0.00 -1.82 0.00 0.00 70.33 68.16 1w3a n THR 205 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1w3a s ALA 206 N -2.00 -0.12 0.00 2.41 0.00 -0.96 -4.99 121.76 116.10 1w3a s ALA 206 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1w3a s ALA 206 Cb 0.00 1.02 0.00 0.00 0.00 0.00 0.00 23.12 24.14 1w3a s ALA 206 CO 0.00 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.30 1w3a n GLY 207 N -0.46 -0.56 3.74 0.00 0.00 -1.26 -1.02 105.19 105.63 1w3a n GLY 207 Ca -0.02 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 1w3a n GLY 207 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1w3a n PHE 208 N 0.00 2.83 -2.67 1.61 7.35 -0.33 -4.87 117.46 121.37 1w3a n PHE 208 Ca 0.00 0.18 -0.43 0.00 -0.76 0.00 0.00 57.45 56.45 1w3a n PHE 208 Cb 0.00 -2.62 -0.01 0.00 0.35 0.00 0.00 39.48 37.19 1w3a n PHE 208 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1w3a s THR 209 N 0.37 4.28 0.27 -2.13 -4.23 -1.26 -4.67 115.64 108.27 1w3a s THR 209 Ca 0.68 -1.68 -0.31 0.00 -1.18 0.00 0.00 61.69 59.20 1w3a s THR 209 Cb -0.50 -5.07 -0.12 0.00 1.34 0.00 0.00 72.50 68.16 1w3a s THR 209 CO 0.43 -1.88 1.57 -0.38 -0.54 0.00 0.00 174.62 173.83 1w3a n ILE 210 N 6.14 0.86 -1.84 2.99 5.41 -1.26 -4.90 119.36 126.76 1w3a n ILE 210 Ca 0.40 -0.21 -0.42 0.00 1.00 0.00 0.00 62.75 63.52 1w3a n ILE 210 Cb 0.47 -1.86 -0.02 0.00 -0.71 0.00 0.00 39.64 37.52 1w3a n ILE 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1w3a s ALA 211 N 0.15 3.79 0.29 -1.39 0.00 -1.26 -4.92 121.76 118.42 1w3a s ALA 211 Ca 0.67 1.49 -0.30 0.00 0.00 0.00 0.00 51.96 53.82 1w3a s ALA 211 Cb -0.53 -3.64 -0.11 0.00 0.00 0.00 0.00 23.12 18.83 1w3a s ALA 211 CO 0.46 -0.88 1.55 0.08 0.00 0.00 0.00 175.76 176.98 1w3a s VAL 212 N 0.61 2.20 0.00 0.00 1.01 -1.26 -2.29 120.40 120.66 1w3a s VAL 212 Ca 0.68 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1w3a s VAL 212 Cb -0.46 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1w3a s VAL 212 CO 0.39 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1w3a n GLY 213 N 2.08 0.24 3.67 4.51 0.00 -0.51 -4.95 105.19 110.24 1w3a n GLY 213 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 1w3a n GLY 213 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1w3a n THR 214 N -2.00 0.58 -2.68 2.61 -1.04 -0.97 -4.43 114.28 106.35 1w3a n THR 214 Ca 0.00 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.05 61.50 1w3a n THR 214 Cb 0.00 -2.12 -0.05 0.00 -1.82 0.00 0.00 70.33 66.34 1w3a n THR 214 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1w3a s ALA 215 N 3.74 3.29 0.24 2.41 0.00 -1.26 -1.29 121.76 128.90 1w3a s ALA 215 Ca 0.88 0.65 -0.21 0.00 0.00 0.00 0.00 51.96 53.27 1w3a s ALA 215 Cb -0.52 -3.29 0.06 0.00 0.00 0.00 0.00 23.12 19.37 1w3a s ALA 215 CO 0.43 -0.03 0.89 -0.59 0.00 0.00 0.00 175.76 176.46 1w3a s PHE 216 N -0.29 -0.03 0.06 0.00 -0.12 -1.06 -4.96 117.98 111.57 1w3a s PHE 216 Ca 0.46 -0.42 0.07 0.00 -0.05 0.00 0.00 56.93 56.99 1w3a s PHE 216 Cb -0.25 0.72 -0.03 0.00 -0.63 0.00 0.00 43.02 42.83 1w3a s PHE 216 CO 0.32 -1.11 -0.18 0.15 -0.05 0.00 0.00 175.22 174.34 1w3a s LYS 217 N -2.88 1.17 0.01 1.99 1.02 -1.26 -0.60 119.74 119.18 1w3a s LYS 217 Ca 0.15 -0.94 -0.29 0.00 0.02 0.00 0.00 55.97 54.92 1w3a s LYS 217 Cb -0.03 -1.28 0.10 0.00 -0.52 0.00 0.00 37.83 36.10 1w3a s LYS 217 CO 0.06 0.32 0.94 0.00 -0.92 0.00 0.00 175.35 175.75 1w3a s ALA 218 N -0.92 -1.83 0.73 5.17 0.00 -1.26 -4.96 121.76 118.69 1w3a s ALA 218 Ca 0.05 0.90 -0.13 0.00 0.00 0.00 0.00 51.96 52.78 1w3a s ALA 218 Cb -0.09 0.41 0.04 0.00 0.00 0.00 0.00 23.12 23.48 1w3a s ALA 218 CO 0.02 -0.75 1.13 0.20 0.00 0.00 0.00 175.76 176.36 1w3a s GLY 219 N -2.55 2.03 0.02 0.00 0.00 -1.26 -4.83 107.32 100.74 1w3a s GLY 219 Ca 0.07 0.56 0.05 0.00 0.00 0.00 0.00 44.72 45.40 1w3a s GLY 219 CO -0.07 0.93 -0.14 0.54 0.00 0.00 0.00 173.10 174.36 1w3a s VAL 220 N -2.43 1.11 0.95 1.40 0.11 -1.17 -4.91 120.40 115.46 1w3a s VAL 220 Ca 0.67 -0.85 -0.11 0.00 -2.93 0.00 0.00 61.98 58.76 1w3a s VAL 220 Cb -0.22 -0.98 0.16 0.00 -1.53 0.00 0.00 36.38 33.81 1w3a s VAL 220 CO 0.48 0.12 1.09 -2.84 -3.33 0.00 0.00 175.10 170.62 1w3a s PRO 221 N -0.83 0.81 -0.26 1.54 0.02 -1.26 -1.26 135.00 133.76 1w3a s PRO 221 Ca 0.03 0.97 -0.23 0.00 0.02 0.00 0.00 61.00 61.79 1w3a s PRO 221 Cb -0.07 -1.75 0.07 0.00 0.02 0.00 0.00 34.50 32.77 1w3a s PRO 221 CO 0.01 -2.59 0.68 0.42 -0.33 0.00 0.00 177.00 175.19 1w3a s ILE 222 N -2.79 -0.00 -0.14 2.83 -1.09 0.17 -4.75 121.20 115.43 1w3a s ILE 222 Ca 0.65 0.00 -0.16 0.00 -2.23 0.00 0.00 60.65 58.91 1w3a s ILE 222 Cb -0.20 -0.95 -0.04 0.00 -1.58 0.00 0.00 42.46 39.68 1w3a s ILE 222 CO 0.59 0.00 0.40 0.12 -1.23 0.00 0.00 174.94 174.82 1w3a s PHE 223 N 0.48 3.48 0.00 3.97 5.36 -1.26 -0.46 117.98 129.55 1w3a s PHE 223 Ca -0.01 0.75 0.00 0.00 -0.96 0.00 0.00 56.93 56.71 1w3a s PHE 223 Cb -0.05 -2.47 0.00 0.00 -0.34 0.00 0.00 43.02 40.16 1w3a s PHE 223 CO -0.01 0.18 0.00 0.00 -1.46 0.00 0.00 175.22 173.93 1w3a n ALA 224 N 3.72 0.00 0.00 11.12 0.00 -0.02 -4.45 120.51 130.88 1w3a n ALA 224 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1w3a n ALA 224 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1w3a n ALA 224 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1w3a n GLU 225 N -1.07 0.00 -0.77 0.00 4.71 -1.26 -4.07 120.64 118.18 1w3a n GLU 225 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.16 1w3a n GLU 225 Cb 0.00 -0.38 0.01 0.00 -1.01 0.00 0.00 31.44 30.06 1w3a n GLU 225 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1w3a n THR 226 N -0.74 0.04 -3.62 2.62 -2.24 -1.26 -5.10 114.28 103.98 1w3a n THR 226 Ca 0.00 -0.33 -0.05 0.00 -2.27 0.00 0.00 64.05 61.40 1w3a n THR 226 Cb 0.00 0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 1w3a n THR 226 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1w3a s GLU 227 N -0.06 0.24 0.04 -0.78 2.02 -1.26 -5.16 118.70 113.74 1w3a s GLU 227 Ca 0.10 0.04 -0.10 0.00 0.02 0.00 0.00 54.97 55.03 1w3a s GLU 227 Cb 0.11 0.11 -0.05 0.00 0.10 0.00 0.00 34.13 34.40 1w3a s GLU 227 CO -0.05 -0.08 0.36 -0.06 0.02 0.00 0.00 175.26 175.45 1w3a s PHE 228 N -1.22 3.60 0.14 1.61 0.40 -1.26 -0.84 117.98 120.41 1w3a s PHE 228 Ca 0.06 0.75 -0.04 0.00 -0.60 0.00 0.00 56.93 57.10 1w3a s PHE 228 Cb -0.01 -2.13 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 1w3a s PHE 228 CO -0.05 0.57 0.14 0.15 0.70 0.00 0.00 175.22 176.73 1w3a s LYS 229 N -1.73 1.00 -0.22 0.44 1.02 0.39 -4.92 119.74 115.72 1w3a s LYS 229 Ca 0.30 -1.32 -0.12 0.00 0.02 0.00 0.00 55.97 54.84 1w3a s LYS 229 Cb -0.14 0.29 -0.05 0.00 -0.52 0.00 0.00 37.83 37.42 1w3a s LYS 229 CO 0.16 -0.32 0.24 0.08 -0.92 0.00 0.00 175.35 174.60 1w3a s VAL 230 N -4.01 5.31 -0.68 3.17 1.01 -1.26 -0.65 120.40 123.29 1w3a s VAL 230 Ca 0.20 0.37 -0.23 0.00 0.00 0.00 0.00 61.98 62.33 1w3a s VAL 230 Cb 0.06 -3.58 0.07 0.00 0.00 0.00 0.00 36.38 32.93 1w3a s VAL 230 CO 0.00 0.33 1.02 -0.62 0.00 0.00 0.00 175.10 175.83 1w3a s ASP 231 N 0.91 6.19 0.44 3.32 -1.08 -0.39 -4.89 116.67 121.17 1w3a s ASP 231 Ca 0.12 -0.96 0.28 0.00 -0.52 0.00 0.00 52.55 51.47 1w3a s ASP 231 Cb -0.13 -2.44 0.90 0.00 -1.46 0.00 0.00 42.92 39.78 1w3a s ASP 231 CO 0.05 -1.48 1.80 0.40 0.52 0.00 0.00 175.17 176.45 1w3a h ILE 232 N 5.99 0.00 -0.73 4.11 2.04 -1.95 -3.11 117.51 123.86 1w3a h ILE 232 Ca -0.27 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 64.98 1w3a h ILE 232 Cb 1.07 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.72 1w3a h ILE 232 CO 1.20 0.00 0.45 0.77 0.00 0.00 0.00 178.15 180.57 1w3a h SER 233 N 0.00 0.74 -2.04 1.72 4.64 -1.97 -3.42 113.55 113.22 1w3a h SER 233 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1w3a h SER 233 Cb 0.69 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1w3a h SER 233 CO 0.00 0.50 1.42 -0.69 -0.87 0.00 0.00 176.83 177.19 1w3a s VAL 234 N -6.11 3.27 -0.86 0.95 1.01 -1.23 -4.89 120.40 112.54 1w3a s VAL 234 Ca -0.13 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1w3a s VAL 234 Cb 0.16 -3.59 0.27 0.00 0.00 0.00 0.00 36.38 33.21 1w3a s VAL 234 CO 0.77 -0.53 1.04 -0.90 0.00 0.00 0.00 175.10 175.48 1w3a n ASP 235 N 12.97 4.88 -4.87 3.32 5.75 -1.26 -4.60 116.55 132.73 1w3a n ASP 235 Ca 0.26 -3.38 -0.25 0.00 -0.01 0.00 0.00 54.79 51.41 1w3a n ASP 235 Cb 0.51 -0.97 -0.04 0.00 -1.03 0.00 0.00 41.12 39.59 1w3a n ASP 235 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1w3a s ASN 236 N -1.81 5.89 -0.24 -1.12 -0.87 -1.26 -5.09 114.94 110.45 1w3a s ASN 236 Ca 0.34 -0.03 -0.26 0.00 -1.57 0.00 0.00 52.86 51.35 1w3a s ASN 236 Cb 0.07 -1.64 -0.00 0.00 -0.02 0.00 0.00 41.25 39.66 1w3a s ASN 236 CO 0.01 0.03 0.88 -1.58 -2.57 0.00 0.00 177.10 173.87 1w3a s GLN 237 N -3.37 4.21 0.53 -0.60 0.74 -1.26 -4.51 119.66 115.39 1w3a s GLN 237 Ca 0.33 1.05 -0.03 0.00 0.05 0.00 0.00 55.36 56.76 1w3a s GLN 237 Cb -0.10 -3.64 0.00 0.00 1.10 0.00 0.00 33.01 30.37 1w3a s GLN 237 CO 0.26 -0.54 0.80 -1.58 -0.55 0.00 0.00 175.29 173.68 1w3a s TRP 238 N 2.89 3.24 -0.13 1.67 0.23 0.23 -4.90 118.94 122.17 1w3a s TRP 238 Ca 0.37 0.46 -0.00 0.00 -2.03 0.00 0.00 56.10 54.90 1w3a s TRP 238 Cb -0.15 -2.54 0.02 0.00 0.03 0.00 0.00 33.47 30.83 1w3a s TRP 238 CO 0.07 -0.61 -0.10 -0.80 0.96 0.00 0.00 176.95 176.47 1w3a s ASN 239 N -4.26 2.46 0.10 2.95 0.01 -1.26 -2.56 114.94 112.38 1w3a s ASN 239 Ca 0.51 -0.41 -0.35 0.00 -0.71 0.00 0.00 52.86 51.90 1w3a s ASN 239 Cb -0.10 -1.00 -0.14 0.00 0.41 0.00 0.00 41.25 40.41 1w3a s ASN 239 CO 0.42 -0.10 1.57 1.87 -1.51 0.00 0.00 177.10 179.35 1w3a n TRP 240 N 4.86 2.11 -1.01 2.20 -0.00 -0.41 -2.31 117.44 122.88 1w3a n TRP 240 Ca -0.14 0.32 -0.00 0.00 -0.00 0.00 0.00 57.50 57.67 1w3a n TRP 240 Cb 0.50 -2.51 -0.00 0.00 -0.00 0.00 0.00 31.31 29.30 1w3a n TRP 240 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1w3a n GLY 241 N 3.36 0.40 3.28 5.87 0.00 -0.57 -1.42 105.19 116.11 1w3a n GLY 241 Ca 0.18 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1w3a n GLY 241 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w3a s GLU 242 N -0.72 1.11 0.04 1.61 2.02 -0.98 -4.93 118.70 116.86 1w3a s GLU 242 Ca 0.00 -1.20 -0.30 0.00 0.02 0.00 0.00 54.97 53.49 1w3a s GLU 242 Cb 0.00 -1.27 -0.06 0.00 0.10 0.00 0.00 34.13 32.91 1w3a s GLU 242 CO 0.00 0.28 1.25 -2.00 0.02 0.00 0.00 175.26 174.81 1w3a s GLU 243 N -2.15 4.39 0.26 1.61 2.12 -1.26 -4.42 118.70 119.23 1w3a s GLU 243 Ca 0.08 1.82 0.11 0.00 0.36 0.00 0.00 54.97 57.33 1w3a s GLU 243 Cb -0.09 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 1w3a s GLU 243 CO 0.04 -0.35 -0.12 -0.80 -0.54 0.00 0.00 175.26 173.49 1w3a s ASN 244 N 1.24 3.98 0.09 -1.70 0.01 -0.15 -5.00 114.94 113.41 1w3a s ASN 244 Ca 0.60 -0.83 0.09 0.00 -0.71 0.00 0.00 52.86 52.00 1w3a s ASN 244 Cb -0.30 -0.53 -0.04 0.00 0.41 0.00 0.00 41.25 40.79 1w3a s ASN 244 CO 0.28 0.04 -0.20 0.42 -1.51 0.00 0.00 177.10 176.13 1w3a s THR 245 N -2.28 2.67 0.20 1.60 -4.23 -1.26 -1.71 115.64 110.63 1w3a s THR 245 Ca 0.29 -1.45 -0.05 0.00 -1.18 0.00 0.00 61.69 59.30 1w3a s THR 245 Cb -0.06 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 1w3a s THR 245 CO 0.16 0.19 0.23 0.72 -0.54 0.00 0.00 174.62 175.38 1w3a s PHE 246 N -1.04 0.79 -0.07 3.99 -0.12 -0.82 -4.98 117.98 115.73 1w3a s PHE 246 Ca 0.16 -1.09 -0.01 0.00 -0.05 0.00 0.00 56.93 55.93 1w3a s PHE 246 Cb -0.10 -0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 41.98 1w3a s PHE 246 CO 0.07 -0.73 -0.01 -1.12 -0.05 0.00 0.00 175.22 173.39 1w3a s SER 247 N -3.08 5.15 -0.15 1.98 0.01 -1.26 -0.01 113.70 116.34 1w3a s SER 247 Ca 0.29 0.10 -0.00 0.00 1.31 0.00 0.00 55.95 57.66 1w3a s SER 247 Cb 0.04 -1.42 0.03 0.00 0.21 0.00 0.00 66.02 64.89 1w3a s SER 247 CO 0.08 0.36 -0.08 -0.75 0.41 0.00 0.00 173.24 173.26 1w3a s LYS 248 N -0.97 1.68 -0.17 12.44 2.47 -0.79 -4.92 119.74 129.48 1w3a s LYS 248 Ca 0.14 -0.49 -0.07 0.00 -1.56 0.00 0.00 55.97 53.99 1w3a s LYS 248 Cb -0.11 -1.95 -0.04 0.00 -1.46 0.00 0.00 37.83 34.26 1w3a s LYS 248 CO 0.03 -0.35 0.07 0.99 0.16 0.00 0.00 175.35 176.25 1w3a s THR 249 N 1.60 4.84 -0.19 3.43 2.01 -1.26 -1.76 115.64 124.31 1w3a s THR 249 Ca 0.02 -0.02 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 1w3a s THR 249 Cb -0.14 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 1w3a s THR 249 CO -0.08 0.49 0.05 -0.31 -0.69 0.00 0.00 174.62 174.08 1w3a s TYR 250 N 0.10 3.18 -0.06 4.92 1.51 -0.45 -4.97 117.35 121.57 1w3a s TYR 250 Ca 0.05 -0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.05 1w3a s TYR 250 Cb -0.12 -2.09 0.02 0.00 -0.11 0.00 0.00 41.96 39.66 1w3a s TYR 250 CO 0.01 0.03 -0.08 0.99 -1.11 0.00 0.00 175.55 175.39 1w3a s THR 251 N 0.60 0.83 -0.05 -0.71 2.01 -1.26 -2.73 115.64 114.33 1w3a s THR 251 Ca 0.02 -0.28 -0.26 0.00 0.31 0.00 0.00 61.69 61.49 1w3a s THR 251 Cb -0.13 -0.81 0.06 0.00 0.01 0.00 0.00 72.50 71.62 1w3a s THR 251 CO 0.02 0.30 0.57 0.00 -0.69 0.00 0.00 174.62 174.81 1w3a s ALA 252 N 0.95 -1.47 -0.05 7.40 0.00 -1.06 -4.99 121.76 122.54 1w3a s ALA 252 Ca -0.10 1.06 0.02 0.00 0.00 0.00 0.00 51.96 52.94 1w3a s ALA 252 Cb -0.15 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1w3a s ALA 252 CO 0.00 -0.33 -0.08 0.99 0.00 0.00 0.00 175.76 176.34 1w3a s THR 253 N -1.14 0.78 -0.08 0.00 2.01 -1.26 -1.23 115.64 114.72 1w3a s THR 253 Ca -0.11 -0.28 -0.15 0.00 0.31 0.00 0.00 61.69 61.46 1w3a s THR 253 Cb -0.02 -0.75 0.03 0.00 0.01 0.00 0.00 72.50 71.78 1w3a s THR 253 CO 0.08 0.27 0.36 0.72 -0.69 0.00 0.00 174.62 175.36 1w3a s PHE 254 N 0.74 -0.32 0.50 4.92 -0.12 -1.04 -4.99 117.98 117.68 1w3a s PHE 254 Ca -0.12 0.66 0.03 0.00 -0.05 0.00 0.00 56.93 57.45 1w3a s PHE 254 Cb -0.14 0.13 -0.01 0.00 -0.63 0.00 0.00 43.02 42.36 1w3a s PHE 254 CO 0.02 -0.31 0.10 -1.54 -0.05 0.00 0.00 175.22 173.43 1w3a s SER 255 N -0.61 4.22 0.00 1.98 1.04 -1.26 -0.77 113.70 118.30 1w3a s SER 255 Ca -0.07 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 54.87 1w3a s SER 255 Cb -0.04 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1w3a s SER 255 CO 0.03 -0.82 0.00 1.33 0.98 0.00 0.00 173.24 174.76 1w3a n VAL 256 N -1.32 0.00 0.00 5.02 0.24 -0.98 -4.98 118.33 116.30 1w3a n VAL 256 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1w3a n VAL 256 Cb 0.66 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 1w3a n VAL 256 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1w3a n ARG 257 N 0.00 0.00 -2.71 7.34 0.63 -1.25 -4.78 116.66 115.89 1w3a n ARG 257 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 1w3a n ARG 257 Cb 0.00 0.00 0.04 0.00 0.45 0.00 0.00 32.46 32.95 1w3a n ARG 257 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1w3a n ALA 258 N 0.00 -2.81 -3.00 5.13 0.00 -1.26 -4.62 120.51 113.95 1w3a n ALA 258 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1w3a n ALA 258 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 16.98 1w3a n ALA 258 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w3a n GLY 259 N 2.17 3.73 0.23 0.00 0.00 -1.26 -5.10 105.19 104.95 1w3a n GLY 259 Ca 0.10 -1.28 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 1w3a n GLY 259 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1w3a h PRO 260 N 0.00 -0.47 -0.51 1.61 0.11 -1.99 -3.45 132.00 127.31 1w3a h PRO 260 Ca 0.00 0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.09 1w3a h PRO 260 Cb 0.00 0.11 -0.16 0.00 0.11 0.00 0.00 31.00 31.06 1w3a h PRO 260 CO 0.00 -0.17 -0.27 0.20 -0.21 0.00 0.00 178.00 177.55 1w3a s GLY 261 N -2.89 -1.66 0.05 -0.55 0.00 -1.26 -4.55 107.32 96.46 1w3a s GLY 261 Ca -0.12 0.22 0.03 0.00 0.00 0.00 0.00 44.72 44.86 1w3a s GLY 261 CO 0.41 4.06 -0.10 -0.54 0.00 0.00 0.00 173.10 176.93 1w3a s GLU 262 N 0.98 0.62 -0.30 2.90 0.41 -1.16 -4.72 118.70 117.43 1w3a s GLU 262 Ca 0.26 -0.82 -0.10 0.00 -0.41 0.00 0.00 54.97 53.89 1w3a s GLU 262 Cb 0.08 -0.46 -0.03 0.00 -1.78 0.00 0.00 34.13 31.94 1w3a s GLU 262 CO -0.09 0.09 0.17 0.99 -0.49 0.00 0.00 175.26 175.94 1w3a s THR 263 N -1.37 4.96 0.24 3.63 2.01 -0.85 -4.67 115.64 119.59 1w3a s THR 263 Ca -0.07 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.50 1w3a s THR 263 Cb -0.10 -3.44 -0.09 0.00 0.01 0.00 0.00 72.50 68.88 1w3a s THR 263 CO 0.01 0.16 0.94 -0.69 -0.69 0.00 0.00 174.62 174.34 1w3a s VAL 264 N 1.69 4.08 0.08 3.82 1.01 -1.18 -2.33 120.40 127.58 1w3a s VAL 264 Ca 0.06 2.08 0.10 0.00 0.00 0.00 0.00 61.98 64.22 1w3a s VAL 264 Cb -0.16 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1w3a s VAL 264 CO 0.08 0.50 -0.27 -0.75 0.00 0.00 0.00 175.10 174.67 1w3a s LYS 265 N -1.17 1.62 -0.11 2.72 2.20 -1.26 -2.46 119.74 121.28 1w3a s LYS 265 Ca 0.41 -1.22 -0.02 0.00 -0.36 0.00 0.00 55.97 54.78 1w3a s LYS 265 Cb -0.26 -1.94 0.04 0.00 -1.51 0.00 0.00 37.83 34.16 1w3a s LYS 265 CO 0.32 0.48 0.01 0.00 -0.36 0.00 0.00 175.35 175.80 1w3a s ALA 266 N -0.92 0.79 -0.28 3.13 0.00 -0.83 -2.57 121.76 121.08 1w3a s ALA 266 Ca 0.13 -0.29 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 1w3a s ALA 266 Cb -0.10 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.18 1w3a s ALA 266 CO 0.04 -0.66 0.01 0.08 0.00 0.00 0.00 175.76 175.23 1w3a s VAL 267 N 1.94 3.31 -0.26 0.00 1.01 -0.92 -4.49 120.40 120.99 1w3a s VAL 267 Ca 0.03 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 1w3a s VAL 267 Cb -0.14 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1w3a s VAL 267 CO -0.06 0.07 0.15 -0.44 0.00 0.00 0.00 175.10 174.81 1w3a s SER 268 N 1.37 5.80 0.03 3.32 0.01 -0.86 -2.03 113.70 121.35 1w3a s SER 268 Ca -0.00 -0.03 -0.01 0.00 1.31 0.00 0.00 55.95 57.22 1w3a s SER 268 Cb -0.18 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 63.97 1w3a s SER 268 CO -0.01 -0.01 -0.01 0.28 0.41 0.00 0.00 173.24 173.89 1w3a s THR 269 N 1.53 0.14 0.02 1.44 -1.32 -0.10 -1.01 115.64 116.34 1w3a s THR 269 Ca 0.07 -1.14 -0.00 0.00 -1.21 0.00 0.00 61.69 59.41 1w3a s THR 269 Cb -0.15 -0.63 -0.02 0.00 -1.51 0.00 0.00 72.50 70.19 1w3a s THR 269 CO 0.08 -0.63 -0.03 0.54 -2.21 0.00 0.00 174.62 172.37 1w3a s VAL 270 N -2.16 0.13 -0.24 5.08 0.11 -0.66 -1.30 120.40 121.36 1w3a s VAL 270 Ca -0.09 -0.98 -0.19 0.00 -2.93 0.00 0.00 61.98 57.78 1w3a s VAL 270 Cb -0.05 -0.36 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 1w3a s VAL 270 CO -0.03 -0.53 0.57 -1.81 -3.33 0.00 0.00 175.10 169.96 1w3a s ASP 271 N -1.57 6.54 0.30 3.54 -0.00 -0.36 -0.08 116.67 125.04 1w3a s ASP 271 Ca -0.14 0.66 0.09 0.00 -0.00 0.00 0.00 52.55 53.15 1w3a s ASP 271 Cb -0.09 -2.31 -0.04 0.00 -0.00 0.00 0.00 42.92 40.48 1w3a s ASP 271 CO -0.02 -0.29 0.09 -0.94 -0.00 0.00 0.00 175.17 174.02 1w3a s SER 272 N 1.39 4.73 0.00 0.27 1.04 -0.50 -0.41 113.70 120.22 1w3a s SER 272 Ca 0.24 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1w3a s SER 272 Cb -0.16 -0.85 0.00 0.00 0.10 0.00 0.00 66.02 65.11 1w3a s SER 272 CO 0.09 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1w3a n GLY 273 N -1.06 1.49 3.81 7.32 0.00 -0.85 -1.17 105.19 114.73 1w3a n GLY 273 Ca -0.05 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 1w3a n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1w3a s ILE 274 N -1.97 4.45 -0.00 -0.61 1.01 -1.24 -1.37 121.20 121.47 1w3a s ILE 274 Ca 0.00 1.43 -0.09 0.00 0.00 0.00 0.00 60.65 61.99 1w3a s ILE 274 Cb 0.00 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.66 1w3a s ILE 274 CO 0.00 0.02 0.18 -0.63 0.00 0.00 0.00 174.94 174.51 1w3a s ILE 275 N -1.76 0.07 0.00 2.92 1.01 -0.13 -1.86 121.20 121.46 1w3a s ILE 275 Ca 0.51 -0.62 -0.14 0.00 0.00 0.00 0.00 60.65 60.40 1w3a s ILE 275 Cb -0.15 -0.47 0.02 0.00 0.01 0.00 0.00 42.46 41.88 1w3a s ILE 275 CO 0.20 -0.34 0.29 0.54 0.00 0.00 0.00 174.94 175.62 1w3a s ASN 276 N -1.31 -0.14 -0.14 3.58 4.22 -0.77 -1.30 114.94 119.07 1w3a s ASN 276 Ca -0.14 -0.03 -0.06 0.00 -2.14 0.00 0.00 52.86 50.50 1w3a s ASN 276 Cb -0.07 0.31 0.06 0.00 1.28 0.00 0.00 41.25 42.83 1w3a s ASN 276 CO 0.02 -0.48 0.31 -0.69 -2.04 0.00 0.00 177.10 174.22 1w3a s VAL 277 N -1.66 -0.28 0.94 3.54 1.01 -0.29 -1.91 120.40 121.75 1w3a s VAL 277 Ca -0.11 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 1w3a s VAL 277 Cb -0.04 -0.49 0.16 0.00 0.00 0.00 0.00 36.38 36.01 1w3a s VAL 277 CO 0.02 0.08 1.10 -2.84 0.00 0.00 0.00 175.10 173.46 1w3a s PRO 278 N 1.94 0.88 0.09 2.72 0.02 -1.26 -0.61 135.00 138.78 1w3a s PRO 278 Ca -0.04 1.21 -0.26 0.00 0.02 0.00 0.00 61.00 61.93 1w3a s PRO 278 Cb -0.11 -1.74 0.08 0.00 0.02 0.00 0.00 34.50 32.75 1w3a s PRO 278 CO -0.10 -2.61 0.78 -0.59 -0.33 0.00 0.00 177.00 174.15 1w3a s PHE 279 N -2.71 -0.38 -0.07 6.54 -0.12 0.60 -1.60 117.98 120.25 1w3a s PHE 279 Ca 0.65 0.17 0.02 0.00 -0.05 0.00 0.00 56.93 57.72 1w3a s PHE 279 Cb -0.21 0.57 0.01 0.00 -0.63 0.00 0.00 43.02 42.76 1w3a s PHE 279 CO 0.59 -0.74 -0.11 0.99 -0.05 0.00 0.00 175.22 175.89 1w3a s THR 280 N -3.42 1.09 0.05 -4.49 2.01 -0.64 -0.79 115.64 109.46 1w3a s THR 280 Ca 0.05 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.61 1w3a s THR 280 Cb -0.01 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 1w3a s THR 280 CO -0.08 0.35 0.16 0.00 -0.69 0.00 0.00 174.62 174.36 1w3a s ALA 281 N 0.80 3.85 -0.16 7.40 0.00 0.49 -1.42 121.76 132.72 1w3a s ALA 281 Ca -0.12 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1w3a s ALA 281 Cb -0.15 -1.71 0.01 0.00 0.00 0.00 0.00 23.12 21.27 1w3a s ALA 281 CO 0.02 0.79 -0.21 0.71 0.00 0.00 0.00 175.76 177.07 1w3a s TYR 282 N -1.43 2.72 0.38 0.00 1.51 -0.19 -1.61 117.35 118.73 1w3a s TYR 282 Ca 0.32 -1.48 0.06 0.00 -1.01 0.00 0.00 57.07 54.95 1w3a s TYR 282 Cb -0.13 -1.86 -0.07 0.00 -0.11 0.00 0.00 41.96 39.78 1w3a s TYR 282 CO 0.24 -0.70 0.02 -0.51 -1.11 0.00 0.00 175.55 173.49 1w3a s LEU 283 N 1.04 2.65 -0.06 -1.29 1.02 -0.68 -0.64 118.68 120.71 1w3a s LEU 283 Ca -0.01 -1.36 -0.23 0.00 0.02 0.00 0.00 54.13 52.54 1w3a s LEU 283 Cb -0.14 -0.74 0.05 0.00 0.02 0.00 0.00 46.19 45.38 1w3a s LEU 283 CO -0.07 -0.49 0.52 -0.94 0.02 0.00 0.00 176.35 175.38 1w3a s SER 284 N -3.63 -0.46 0.25 2.29 1.04 -0.90 -2.37 113.70 109.92 1w3a s SER 284 Ca 0.35 0.54 -0.30 0.00 0.48 0.00 0.00 55.95 57.02 1w3a s SER 284 Cb 0.09 0.55 -0.10 0.00 0.10 0.00 0.00 66.02 66.66 1w3a s SER 284 CO 0.17 -0.48 1.35 -0.55 0.98 0.00 0.00 173.24 174.71 1w3a s SER 285 N -1.00 6.80 0.29 7.02 0.15 -0.39 -1.34 113.70 125.22 1w3a s SER 285 Ca -0.10 2.56 0.13 0.00 0.70 0.00 0.00 55.95 59.24 1w3a s SER 285 Cb -0.03 -2.62 0.38 0.00 -1.71 0.00 0.00 66.02 62.04 1w3a s SER 285 CO 0.06 -0.57 1.60 0.11 1.20 0.00 0.00 173.24 175.64 1w3a h LYS 286 N 4.70 0.00 0.04 5.44 1.57 -1.90 -0.73 116.57 125.69 1w3a h LYS 286 Ca -0.46 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.07 1w3a h LYS 286 Cb 1.22 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.54 1w3a h LYS 286 CO 0.74 0.57 -1.05 0.66 -0.57 0.00 0.00 179.45 179.81 1w3a h SER 287 N 0.00 0.61 0.00 0.86 4.64 -1.92 -3.43 113.55 114.31 1w3a h SER 287 Ca -0.01 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1w3a h SER 287 Cb 1.13 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1w3a h SER 287 CO 0.07 1.34 -0.80 0.41 -0.87 0.00 0.00 176.83 176.98 1w3a n THR 288 N -3.73 0.00 -0.30 2.95 -1.04 -1.21 -5.04 114.28 105.91 1w3a n THR 288 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1w3a n THR 288 Cb 0.89 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 1w3a n THR 288 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1w3a n GLY 289 N 2.74 0.66 3.71 3.41 0.00 -0.28 -4.96 105.19 110.47 1w3a n GLY 289 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1w3a n GLY 289 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1w3a s PHE 290 N -2.58 2.94 -0.02 1.61 5.36 -1.26 -4.41 117.98 119.62 1w3a s PHE 290 Ca 0.00 0.62 -0.09 0.00 -0.96 0.00 0.00 56.93 56.49 1w3a s PHE 290 Cb 0.00 -3.89 -0.05 0.00 -0.34 0.00 0.00 43.02 38.74 1w3a s PHE 290 CO 0.00 -3.32 0.29 -1.21 -1.46 0.00 0.00 175.22 169.52 1w3a s GLU 291 N 1.51 3.65 0.25 10.12 2.02 -1.26 -1.26 118.70 133.73 1w3a s GLU 291 Ca 0.70 0.07 0.02 0.00 0.02 0.00 0.00 54.97 55.78 1w3a s GLU 291 Cb -0.41 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 1w3a s GLU 291 CO 0.31 0.69 0.18 0.14 0.02 0.00 0.00 175.26 176.59 1w3a s VAL 292 N -1.18 0.05 0.23 2.63 -7.23 -1.00 -5.00 120.40 108.90 1w3a s VAL 292 Ca 0.24 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.46 1w3a s VAL 292 Cb -0.14 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.24 1w3a s VAL 292 CO 0.12 0.00 -0.06 0.42 -0.31 0.00 0.00 175.10 175.28 1w3a s THR 293 N -3.88 1.35 -0.03 5.32 -4.23 -1.26 -1.69 115.64 111.22 1w3a s THR 293 Ca 0.39 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 58.82 1w3a s THR 293 Cb 0.05 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.65 1w3a s THR 293 CO 0.17 -0.42 -0.05 -0.89 -0.54 0.00 0.00 174.62 172.89 1w3a s THR 294 N -3.21 0.49 0.08 3.99 2.01 -0.63 -1.18 115.64 117.19 1w3a s THR 294 Ca 0.26 -0.16 -0.08 0.00 0.31 0.00 0.00 61.69 62.03 1w3a s THR 294 Cb 0.04 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 1w3a s THR 294 CO 0.08 0.19 0.37 -1.61 -0.69 0.00 0.00 174.62 172.95 1w3a s GLU 295 N 0.53 3.68 0.17 4.92 0.41 -0.18 -0.38 118.70 127.85 1w3a s GLU 295 Ca -0.07 0.05 -0.19 0.00 -0.41 0.00 0.00 54.97 54.35 1w3a s GLU 295 Cb -0.10 -2.97 0.04 0.00 -1.78 0.00 0.00 34.13 29.32 1w3a s GLU 295 CO -0.00 0.55 0.52 0.20 -0.49 0.00 0.00 175.26 176.04 1w3a s GLY 296 N -1.95 -0.28 -0.16 -1.39 0.00 0.03 -1.72 107.32 101.85 1w3a s GLY 296 Ca 0.34 0.01 -0.02 0.00 0.00 0.00 0.00 44.72 45.05 1w3a s GLY 296 CO 0.20 -0.16 -0.07 -0.42 0.00 0.00 0.00 173.10 172.65 1w3a s ILE 297 N -3.82 3.45 0.02 0.90 1.01 -0.63 -0.29 121.20 121.84 1w3a s ILE 297 Ca 0.05 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 60.07 1w3a s ILE 297 Cb -0.00 -2.50 -0.06 0.00 0.01 0.00 0.00 42.46 39.91 1w3a s ILE 297 CO -0.08 0.49 0.40 0.86 0.00 0.00 0.00 174.94 176.62 1w3a s TRP 298 N 0.61 3.68 0.00 3.97 -0.00 0.22 -1.62 118.94 125.80 1w3a s TRP 298 Ca -0.05 0.93 0.00 0.00 -0.00 0.00 0.00 56.10 56.99 1w3a s TRP 298 Cb -0.15 -2.25 -0.00 0.00 -0.00 0.00 0.00 33.47 31.07 1w3a s TRP 298 CO 0.03 0.61 -0.01 0.50 -0.00 0.00 0.00 176.95 178.07 1w3a s ARG 299 N -1.33 0.12 -0.28 5.86 3.52 -0.61 -1.14 118.95 125.09 1w3a s ARG 299 Ca 0.26 -0.08 -0.25 0.00 -0.13 0.00 0.00 55.73 55.54 1w3a s ARG 299 Cb -0.16 -0.09 0.13 0.00 -1.56 0.00 0.00 34.95 33.27 1w3a s ARG 299 CO 0.15 0.02 1.07 0.20 -0.81 0.00 0.00 175.30 175.93 1w3a s GLY 300 N -0.11 -0.09 0.01 8.12 0.00 -0.42 -1.12 107.32 113.72 1w3a s GLY 300 Ca -0.00 2.79 -0.30 0.00 0.00 0.00 0.00 44.72 47.21 1w3a s GLY 300 CO -0.00 1.88 1.45 0.14 0.00 0.00 0.00 173.10 176.58 1w3a s VAL 301 N 0.26 3.58 0.33 1.40 1.01 -1.25 -0.96 120.40 124.77 1w3a s VAL 301 Ca 0.03 0.97 0.06 0.00 0.00 0.00 0.00 61.98 63.05 1w3a s VAL 301 Cb -0.05 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1w3a s VAL 301 CO -0.08 -0.00 0.31 -0.24 0.00 0.00 0.00 175.10 175.09 1w3a n SER 302 N 5.44 -0.79 -4.04 3.32 2.88 -0.47 -1.83 113.62 118.13 1w3a n SER 302 Ca 0.14 -3.13 -0.10 0.00 -1.33 0.00 0.00 58.87 54.45 1w3a n SER 302 Cb 0.43 1.78 -0.11 0.00 -0.75 0.00 0.00 64.21 65.56 1w3a n SER 302 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1w3a s SER 303 N -3.29 0.52 0.24 -3.46 0.01 -1.26 -2.01 113.70 104.45 1w3a s SER 303 Ca 0.38 -0.67 -0.22 0.00 1.31 0.00 0.00 55.95 56.75 1w3a s SER 303 Cb 0.02 0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.39 1w3a s SER 303 CO 0.27 -0.36 0.74 -1.66 0.41 0.00 0.00 173.24 172.64 1w3a s TRP 304 N -2.21 -0.24 -0.90 2.43 -2.14 0.45 -4.68 118.94 111.66 1w3a s TRP 304 Ca -0.07 -0.16 -0.06 0.00 2.66 0.00 0.00 56.10 58.47 1w3a s TRP 304 Cb -0.04 0.67 -0.01 0.00 -3.10 0.00 0.00 33.47 30.99 1w3a s TRP 304 CO -0.03 -1.11 0.73 -0.25 -2.66 0.00 0.00 176.95 173.63 1w3a n ASP 305 N -0.44 -6.40 -4.76 -2.66 8.00 -1.26 -1.22 116.55 107.81 1w3a n ASP 305 Ca -0.06 -0.58 -0.41 0.00 0.71 0.00 0.00 54.79 54.44 1w3a n ASP 305 Cb 0.60 -4.01 -0.02 0.00 -0.02 0.00 0.00 41.12 37.67 1w3a n ASP 305 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1w3a s LEU 306 N -5.00 4.37 -0.04 0.64 2.96 -1.26 -4.23 118.68 116.12 1w3a s LEU 306 Ca 0.17 2.79 -0.02 0.00 -0.22 0.00 0.00 54.13 56.86 1w3a s LEU 306 Cb -0.05 -3.64 0.03 0.00 0.50 0.00 0.00 46.19 43.03 1w3a s LEU 306 CO 0.81 -0.74 0.10 -0.13 -1.32 0.00 0.00 176.35 175.07 1w3a s ARG 307 N -1.00 0.06 -0.12 1.98 0.52 -0.42 -5.01 118.95 114.97 1w3a s ARG 307 Ca 0.57 0.25 0.02 0.00 -0.52 0.00 0.00 55.73 56.04 1w3a s ARG 307 Cb -0.43 -0.13 0.01 0.00 0.52 0.00 0.00 34.95 34.92 1w3a s ARG 307 CO 0.50 -0.12 -0.17 -1.01 0.02 0.00 0.00 175.30 174.52 1w3a s HIS 308 N 0.82 2.13 -0.15 -0.53 3.76 -1.26 -0.92 115.29 119.14 1w3a s HIS 308 Ca -0.06 -1.03 0.02 0.00 -0.15 0.00 0.00 55.06 53.83 1w3a s HIS 308 Cb -0.09 -1.52 0.01 0.00 1.11 0.00 0.00 32.58 32.10 1w3a s HIS 308 CO -0.03 -0.51 -0.21 0.99 -0.85 0.00 0.00 174.74 174.12 1w3a s THR 309 N 0.97 2.12 -0.12 1.30 2.01 -0.86 -4.96 115.64 116.10 1w3a s THR 309 Ca -0.06 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 1w3a s THR 309 Cb -0.15 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 1w3a s THR 309 CO -0.02 0.54 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.59 1w3a s LEU 310 N 0.96 2.93 0.00 4.42 1.43 -1.26 -2.16 118.68 125.00 1w3a s LEU 310 Ca -0.03 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1w3a s LEU 310 Cb -0.15 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1w3a s LEU 310 CO -0.05 0.22 0.00 0.35 0.23 0.00 0.00 176.35 177.10 1w3a n THR 311 N 3.20 0.00 -3.54 5.49 -2.24 -1.06 -4.99 114.28 111.14 1w3a n THR 311 Ca -0.18 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.48 1w3a n THR 311 Cb 0.53 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 1w3a n THR 311 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1w3a s SER 312 N 1.00 -0.46 0.12 3.42 0.01 -1.26 -4.16 113.70 112.37 1w3a s SER 312 Ca 0.00 0.38 -0.06 0.00 1.31 0.00 0.00 55.95 57.58 1w3a s SER 312 Cb 0.00 0.40 -0.02 0.00 0.21 0.00 0.00 66.02 66.61 1w3a s SER 312 CO 0.00 -0.51 0.16 -0.69 0.41 0.00 0.00 173.24 172.61 1w3a s VAL 313 N -1.71 0.12 0.02 3.43 1.01 -0.98 -4.89 120.40 117.39 1w3a s VAL 313 Ca -0.03 -1.49 -0.04 0.00 0.00 0.00 0.00 61.98 60.42 1w3a s VAL 313 Cb -0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1w3a s VAL 313 CO 0.01 -0.54 0.06 -0.89 0.00 0.00 0.00 175.10 173.74 1w3a s THR 314 N -3.94 0.11 0.00 3.92 2.01 -1.26 -2.00 115.64 114.48 1w3a s THR 314 Ca 0.13 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.19 1w3a s THR 314 Cb 0.05 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.98 1w3a s THR 314 CO -0.04 -0.52 0.00 0.00 -0.69 0.00 0.00 174.62 173.36