#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wcq s LEU 50 N 0.00 1.54 -0.11 2.45 2.96 -1.26 -4.84 118.68 119.42 1wcq s LEU 50 Ca 0.00 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 1wcq s LEU 50 Cb 0.00 -0.77 0.06 0.00 0.50 0.00 0.00 46.19 45.97 1wcq s LEU 50 CO 0.00 0.00 0.23 -0.47 -1.32 0.00 0.00 176.35 174.79 1wcq s TYR 51 N 0.83 -0.33 0.03 5.38 5.04 -1.26 -2.54 117.35 124.50 1wcq s TYR 51 Ca -0.12 0.83 -0.01 0.00 -2.44 0.00 0.00 57.07 55.33 1wcq s TYR 51 Cb -0.15 -0.09 -0.02 0.00 0.35 0.00 0.00 41.96 42.05 1wcq s TYR 51 CO 0.02 -0.31 -0.00 0.95 -1.34 0.00 0.00 175.55 174.87 1wcq s THR 52 N 2.17 0.13 0.08 4.34 -4.23 -0.75 -4.99 115.64 112.39 1wcq s THR 52 Ca -0.00 -1.10 0.02 0.00 -1.18 0.00 0.00 61.69 59.42 1wcq s THR 52 Cb -0.12 -0.61 -0.04 0.00 1.34 0.00 0.00 72.50 73.08 1wcq s THR 52 CO -0.08 -0.61 -0.07 -1.61 -0.54 0.00 0.00 174.62 171.72 1wcq s GLU 53 N -2.10 0.73 -0.19 3.99 2.02 -1.26 -0.80 118.70 121.10 1wcq s GLU 53 Ca -0.10 -1.15 -0.18 0.00 0.02 0.00 0.00 54.97 53.56 1wcq s GLU 53 Cb -0.05 -0.22 0.05 0.00 0.10 0.00 0.00 34.13 34.01 1wcq s GLU 53 CO -0.03 0.00 0.50 1.14 0.02 0.00 0.00 175.26 176.89 1wcq s GLN 54 N -3.14 0.60 0.24 1.61 -2.07 -0.34 -4.99 119.66 111.57 1wcq s GLN 54 Ca 0.05 0.68 -0.30 0.00 -1.82 0.00 0.00 55.36 53.98 1wcq s GLN 54 Cb 0.01 0.29 -0.09 0.00 -1.09 0.00 0.00 33.01 32.13 1wcq s GLN 54 CO -0.03 -0.08 1.13 -0.51 -1.32 0.00 0.00 175.29 174.48 1wcq s ASP 55 N 0.22 7.21 -0.06 12.60 1.01 -1.26 -0.59 116.67 135.79 1wcq s ASP 55 Ca -0.00 2.24 0.16 0.00 0.71 0.00 0.00 52.55 55.65 1wcq s ASP 55 Cb -0.03 -2.62 -0.24 0.00 1.01 0.00 0.00 42.92 41.04 1wcq s ASP 55 CO 0.01 -0.23 0.27 0.18 0.21 0.00 0.00 175.17 175.61 1wcq n LEU 56 N 1.74 0.00 -3.71 1.23 4.77 0.17 -4.89 117.00 116.31 1wcq n LEU 56 Ca 0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.88 1wcq n LEU 56 Cb 0.45 0.12 -0.12 0.00 -2.33 0.00 0.00 43.42 41.54 1wcq n LEU 56 CO 0.55 0.12 -0.04 0.00 -1.33 0.00 0.00 177.39 176.69 1wcq s ALA 57 N -2.91 -0.81 -0.15 -1.18 0.00 -0.96 -4.97 121.76 110.77 1wcq s ALA 57 Ca -0.07 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.18 1wcq s ALA 57 Cb 0.09 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.41 1wcq s ALA 57 CO 0.68 -0.26 -0.21 0.08 0.00 0.00 0.00 175.76 176.05 1wcq s VAL 58 N 1.41 2.04 0.10 0.00 1.01 -1.26 -1.05 120.40 122.65 1wcq s VAL 58 Ca -0.09 -0.96 -0.36 0.00 0.00 0.00 0.00 61.98 60.58 1wcq s VAL 58 Cb -0.10 -1.82 -0.17 0.00 0.00 0.00 0.00 36.38 34.29 1wcq s VAL 58 CO -0.11 0.54 1.11 0.59 0.00 0.00 0.00 175.10 177.24 1wcq n ASN 59 N 4.27 0.70 0.00 3.32 3.02 0.29 -1.16 115.26 125.70 1wcq n ASN 59 Ca -0.20 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.49 1wcq n ASN 59 Cb 0.51 -1.08 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 1wcq n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wcq n GLY 60 N 1.98 2.75 3.70 7.41 0.00 0.39 -4.91 105.19 116.50 1wcq n GLY 60 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1wcq n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wcq s ARG 61 N -0.77 3.25 -0.68 1.61 3.00 -0.31 -4.57 118.95 120.47 1wcq s ARG 61 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 55.73 55.37 1wcq s ARG 61 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 34.95 32.02 1wcq s ARG 61 CO 0.00 0.63 0.00 0.39 0.00 0.00 0.00 175.30 176.32 1wcq n GLU 62 N 2.39 -0.54 0.00 3.54 -0.58 -1.26 -4.13 120.64 120.06 1wcq n GLU 62 Ca -0.18 0.53 0.00 0.00 -0.42 0.00 0.00 57.16 57.09 1wcq n GLU 62 Cb 0.54 -4.39 0.00 0.00 -0.57 0.00 0.00 31.44 27.02 1wcq n GLU 62 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wcq n GLY 63 N -1.50 0.91 3.16 0.62 0.00 -1.26 -5.09 105.19 102.04 1wcq n GLY 63 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1wcq n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wcq s PHE 64 N -2.00 1.53 -0.64 1.61 0.08 -1.26 -4.99 117.98 112.31 1wcq s PHE 64 Ca 0.00 -0.30 0.24 0.00 0.12 0.00 0.00 56.93 56.99 1wcq s PHE 64 Cb 0.00 -0.98 0.91 0.00 -0.57 0.00 0.00 43.02 42.38 1wcq s PHE 64 CO 0.00 -0.02 1.72 -0.35 -0.10 0.00 0.00 175.22 176.48 1wcq n PRO 65 N 2.57 0.18 -3.69 0.24 -0.04 -1.26 -0.46 135.00 132.54 1wcq n PRO 65 Ca -0.15 0.32 -0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1wcq n PRO 65 Cb 0.54 -1.79 -0.09 0.00 -0.04 0.00 0.00 33.50 32.12 1wcq n PRO 65 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1wcq s ASN 66 N -4.13 -0.56 -0.02 3.54 3.84 -1.24 -3.30 114.94 113.07 1wcq s ASN 66 Ca 0.07 1.05 0.03 0.00 0.21 0.00 0.00 52.86 54.22 1wcq s ASN 66 Cb 0.11 1.04 -0.00 0.00 -0.55 0.00 0.00 41.25 41.85 1wcq s ASN 66 CO 0.45 -0.18 -0.10 -0.31 -2.79 0.00 0.00 177.10 174.17 1wcq s TYR 67 N 0.48 0.95 0.17 0.43 2.02 -1.26 -1.00 117.35 119.14 1wcq s TYR 67 Ca -0.02 -0.21 -0.23 0.00 -0.37 0.00 0.00 57.07 56.25 1wcq s TYR 67 Cb -0.04 -0.64 0.07 0.00 -0.40 0.00 0.00 41.96 40.94 1wcq s TYR 67 CO -0.02 -0.05 0.60 1.03 -1.57 0.00 0.00 175.55 175.54 1wcq s ARG 68 N -0.06 1.31 0.00 -0.62 0.52 -1.09 -4.31 118.95 114.70 1wcq s ARG 68 Ca 0.01 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.71 1wcq s ARG 68 Cb -0.06 0.59 0.00 0.00 0.52 0.00 0.00 34.95 36.00 1wcq s ARG 68 CO -0.00 -0.58 0.00 -0.89 0.02 0.00 0.00 175.30 173.85 1wcq n ILE 69 N -0.38 -1.79 -2.83 1.52 2.08 -1.26 -0.86 119.36 115.84 1wcq n ILE 69 Ca -0.16 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 62.78 1wcq n ILE 69 Cb 0.65 -3.58 -0.06 0.00 -0.75 0.00 0.00 39.64 35.90 1wcq n ILE 69 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1wcq s PRO 70 N -0.88 4.57 -0.01 0.38 0.04 -1.26 -3.77 135.00 134.07 1wcq s PRO 70 Ca 0.00 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1wcq s PRO 70 Cb 0.00 -2.89 0.01 0.00 0.04 0.00 0.00 34.50 31.66 1wcq s PRO 70 CO 0.00 0.34 0.01 0.00 0.04 0.00 0.00 177.00 177.39 1wcq s ALA 71 N -1.53 0.07 -0.04 8.56 0.00 0.48 -3.31 121.76 125.99 1wcq s ALA 71 Ca 0.47 0.09 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 1wcq s ALA 71 Cb -0.19 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1wcq s ALA 71 CO 0.24 -0.03 0.09 -1.17 0.00 0.00 0.00 175.76 174.90 1wcq s LEU 72 N 0.39 1.49 0.21 0.00 2.96 -1.25 0.43 118.68 122.90 1wcq s LEU 72 Ca -0.03 0.19 -0.22 0.00 -0.22 0.00 0.00 54.13 53.85 1wcq s LEU 72 Cb -0.05 0.29 0.05 0.00 0.50 0.00 0.00 46.19 46.98 1wcq s LEU 72 CO -0.01 -0.05 0.64 0.28 -1.32 0.00 0.00 176.35 175.88 1wcq s THR 73 N 0.27 0.00 -0.14 3.68 -1.32 -0.66 -4.70 115.64 112.77 1wcq s THR 73 Ca -0.02 -0.48 -0.01 0.00 -1.21 0.00 0.00 61.69 59.98 1wcq s THR 73 Cb -0.03 -1.45 -0.01 0.00 -1.51 0.00 0.00 72.50 69.50 1wcq s THR 73 CO -0.01 -0.01 -0.12 -0.69 -2.21 0.00 0.00 174.62 171.57 1wcq s VAL 74 N -3.83 3.07 0.78 5.08 1.01 -1.26 -1.00 120.40 124.25 1wcq s VAL 74 Ca 0.06 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 1wcq s VAL 74 Cb -0.03 -2.30 0.06 0.00 0.00 0.00 0.00 36.38 34.11 1wcq s VAL 74 CO -0.04 0.51 1.08 0.42 0.00 0.00 0.00 175.10 177.08 1wcq s THR 75 N 0.51 3.32 0.42 3.92 -4.23 0.56 -4.91 115.64 115.23 1wcq s THR 75 Ca -0.08 0.43 0.13 0.00 -1.18 0.00 0.00 61.69 60.99 1wcq s THR 75 Cb -0.16 -3.10 0.33 0.00 1.34 0.00 0.00 72.50 70.91 1wcq s THR 75 CO 0.04 -0.56 1.95 -0.65 -0.54 0.00 0.00 174.62 174.86 1wcq h PRO 76 N -1.05 0.46 -0.01 3.99 0.11 -1.89 -0.34 132.00 133.27 1wcq h PRO 76 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1wcq h PRO 76 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1wcq h PRO 76 CO 0.57 0.31 0.00 -0.25 -0.21 0.00 0.00 178.00 178.41 1wcq n ASP 77 N -4.48 0.29 0.00 -2.05 8.00 -1.26 -4.92 116.55 112.14 1wcq n ASP 77 Ca 0.12 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1wcq n ASP 77 Cb 0.40 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1wcq n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wcq n GLY 78 N 1.02 0.39 3.77 0.44 0.00 -0.14 -5.08 105.19 105.59 1wcq n GLY 78 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 1wcq n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wcq s ASP 79 N -2.10 5.80 -0.01 1.61 1.01 -1.26 -4.71 116.67 117.02 1wcq s ASP 79 Ca 0.00 2.34 -0.12 0.00 0.71 0.00 0.00 52.55 55.48 1wcq s ASP 79 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1wcq s ASP 79 CO 0.00 -1.17 0.35 -0.76 0.21 0.00 0.00 175.17 173.80 1wcq s LEU 80 N -3.43 4.43 -0.11 1.23 1.02 0.74 -0.32 118.68 122.25 1wcq s LEU 80 Ca 0.69 0.82 0.01 0.00 0.02 0.00 0.00 54.13 55.67 1wcq s LEU 80 Cb -0.29 -2.57 0.02 0.00 0.02 0.00 0.00 46.19 43.36 1wcq s LEU 80 CO 0.34 0.31 -0.13 -0.76 0.02 0.00 0.00 176.35 176.13 1wcq s LEU 81 N -1.26 1.59 -0.14 1.79 1.43 -0.17 -0.57 118.68 121.35 1wcq s LEU 81 Ca 0.24 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1wcq s LEU 81 Cb -0.15 -1.00 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 1wcq s LEU 81 CO 0.13 -0.02 -0.08 0.00 0.23 0.00 0.00 176.35 176.61 1wcq s ALA 82 N 1.12 2.84 0.06 4.21 0.00 -0.40 -1.65 121.76 127.94 1wcq s ALA 82 Ca -0.05 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1wcq s ALA 82 Cb -0.14 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 1wcq s ALA 82 CO -0.03 0.25 -0.10 0.45 0.00 0.00 0.00 175.76 176.33 1wcq s SER 83 N 0.30 1.21 0.09 0.00 0.15 0.17 -1.35 113.70 114.27 1wcq s SER 83 Ca -0.06 -0.60 -0.26 0.00 0.70 0.00 0.00 55.95 55.72 1wcq s SER 83 Cb -0.15 0.00 0.08 0.00 -1.71 0.00 0.00 66.02 64.24 1wcq s SER 83 CO 0.04 -0.17 0.89 -0.72 1.20 0.00 0.00 173.24 174.48 1wcq s TYR 84 N -1.46 -0.25 0.25 3.44 -0.85 -1.07 -0.39 117.35 117.01 1wcq s TYR 84 Ca -0.06 0.02 -0.30 0.00 -0.52 0.00 0.00 57.07 56.22 1wcq s TYR 84 Cb -0.09 0.59 -0.09 0.00 0.38 0.00 0.00 41.96 42.75 1wcq s TYR 84 CO 0.01 -0.73 1.01 -0.51 -1.52 0.00 0.00 175.55 173.80 1wcq s ASP 85 N -2.74 7.49 -0.19 -0.18 1.11 -0.04 -1.14 116.67 120.98 1wcq s ASP 85 Ca 0.08 2.08 -0.09 0.00 0.18 0.00 0.00 52.55 54.80 1wcq s ASP 85 Cb -0.01 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.31 1wcq s ASP 85 CO -0.03 0.03 0.11 -0.83 1.18 0.00 0.00 175.17 175.62 1wcq s GLY 86 N -1.02 2.01 -0.41 0.21 0.00 -0.52 -2.66 107.32 104.93 1wcq s GLY 86 Ca 0.43 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.47 1wcq s GLY 86 CO 0.36 0.06 0.16 0.50 0.00 0.00 0.00 173.10 174.18 1wcq s ARG 87 N 0.21 1.50 0.54 2.90 0.52 -0.17 -1.54 118.95 122.91 1wcq s ARG 87 Ca 0.07 -2.04 0.27 0.00 -0.52 0.00 0.00 55.73 53.51 1wcq s ARG 87 Cb -0.11 -2.90 1.43 0.00 0.52 0.00 0.00 34.95 33.88 1wcq s ARG 87 CO -0.01 -1.05 1.98 -1.35 0.02 0.00 0.00 175.30 174.89 1wcq h PRO 88 N 7.14 0.00 0.00 3.54 0.11 -1.84 -2.29 132.00 138.65 1wcq h PRO 88 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1wcq h PRO 88 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1wcq h PRO 88 CO 0.56 0.00 -0.08 0.25 -0.21 0.00 0.00 178.00 178.52 1wcq n THR 89 N -4.28 1.32 -2.14 -1.15 -2.24 -1.26 -4.73 114.28 99.80 1wcq n THR 89 Ca 0.10 -1.55 -0.14 0.00 -2.27 0.00 0.00 64.05 60.19 1wcq n THR 89 Cb 0.65 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 1wcq n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wcq n GLY 90 N -0.96 0.04 3.22 3.38 0.00 -0.86 -5.00 105.19 105.01 1wcq n GLY 90 Ca 0.10 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1wcq n GLY 90 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wcq s ILE 91 N -2.69 0.58 1.18 -0.61 -4.36 -1.26 -5.09 121.20 108.95 1wcq s ILE 91 Ca 0.00 -1.97 -0.16 0.00 -0.26 0.00 0.00 60.65 58.27 1wcq s ILE 91 Cb 0.00 -2.10 0.28 0.00 1.25 0.00 0.00 42.46 41.89 1wcq s ILE 91 CO 0.00 -0.48 1.04 -1.81 0.24 0.00 0.00 174.94 173.93 1wcq s ASP 92 N -3.15 1.01 0.17 4.36 1.01 -1.26 -4.52 116.67 114.29 1wcq s ASP 92 Ca 0.24 1.10 -0.33 0.00 0.71 0.00 0.00 52.55 54.27 1wcq s ASP 92 Cb 0.06 -1.68 -0.16 0.00 1.01 0.00 0.00 42.92 42.16 1wcq s ASP 92 CO 0.03 -4.12 1.12 0.00 0.21 0.00 0.00 175.17 172.41 1wcq n ALA 93 N -4.82 -1.04 -0.79 5.23 0.00 -1.26 -0.96 120.51 116.87 1wcq n ALA 93 Ca 0.07 0.47 -0.16 0.00 0.00 0.00 0.00 53.44 53.82 1wcq n ALA 93 Cb 0.57 -1.99 0.17 0.00 0.00 0.00 0.00 19.45 18.20 1wcq n ALA 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wcq n PRO 94 N 1.68 2.30 -1.56 0.00 -0.04 -1.26 -4.22 135.00 131.90 1wcq n PRO 94 Ca 0.15 -2.47 -0.41 0.00 -0.04 0.00 0.00 63.50 60.73 1wcq n PRO 94 Cb 0.24 -1.98 0.01 0.00 -0.04 0.00 0.00 33.50 31.73 1wcq n PRO 94 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wcq n GLY 95 N -0.67 -0.66 2.49 0.55 0.00 -0.14 -4.79 105.19 101.98 1wcq n GLY 95 Ca 0.46 0.09 -0.34 0.00 0.00 0.00 0.00 46.02 46.23 1wcq n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wcq n PRO 96 N 0.21 2.96 -1.81 1.61 -0.04 -1.26 -4.44 135.00 132.22 1wcq n PRO 96 Ca 0.11 -1.97 -0.30 0.00 -0.04 0.00 0.00 63.50 61.29 1wcq n PRO 96 Cb 0.40 -2.74 0.06 0.00 -0.04 0.00 0.00 33.50 31.17 1wcq n PRO 96 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1wcq s ASN 97 N 2.84 5.26 0.10 3.54 0.01 -1.26 -4.35 114.94 121.08 1wcq s ASN 97 Ca 0.57 1.17 0.07 0.00 -0.71 0.00 0.00 52.86 53.96 1wcq s ASN 97 Cb 0.15 -1.96 -0.03 0.00 0.41 0.00 0.00 41.25 39.82 1wcq s ASN 97 CO -0.04 -1.47 -0.18 -0.44 -1.51 0.00 0.00 177.10 173.46 1wcq s SER 98 N -4.26 2.27 -0.20 -1.22 0.01 -0.59 -1.39 113.70 108.32 1wcq s SER 98 Ca 0.59 -0.69 -0.10 0.00 1.31 0.00 0.00 55.95 57.06 1wcq s SER 98 Cb -0.12 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 1wcq s SER 98 CO 0.52 0.00 0.13 -0.63 0.41 0.00 0.00 173.24 173.67 1wcq s ILE 99 N -1.31 5.39 0.29 1.44 -1.09 0.57 -1.44 121.20 125.05 1wcq s ILE 99 Ca 0.05 0.18 0.09 0.00 -2.23 0.00 0.00 60.65 58.74 1wcq s ILE 99 Cb -0.09 -3.46 -0.06 0.00 -1.58 0.00 0.00 42.46 37.27 1wcq s ILE 99 CO 0.04 0.44 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.30 1wcq s LEU 100 N 0.36 2.61 -0.06 2.97 1.43 -0.29 0.95 118.68 126.65 1wcq s LEU 100 Ca 0.08 -1.12 -0.14 0.00 -1.03 0.00 0.00 54.13 51.92 1wcq s LEU 100 Cb -0.11 -0.91 0.03 0.00 0.03 0.00 0.00 46.19 45.23 1wcq s LEU 100 CO -0.02 -0.16 0.32 -1.58 0.23 0.00 0.00 176.35 175.14 1wcq s GLN 101 N -3.61 0.56 0.06 1.70 0.74 0.72 -2.61 119.66 117.21 1wcq s GLN 101 Ca 0.30 0.06 0.06 0.00 0.05 0.00 0.00 55.36 55.83 1wcq s GLN 101 Cb 0.00 0.25 -0.03 0.00 1.10 0.00 0.00 33.01 34.34 1wcq s GLN 101 CO 0.14 -0.13 -0.16 1.03 -0.55 0.00 0.00 175.29 175.61 1wcq s ARG 102 N -0.74 1.03 -0.07 1.67 0.52 -0.45 -0.93 118.95 119.97 1wcq s ARG 102 Ca -0.08 -0.89 0.03 0.00 -0.52 0.00 0.00 55.73 54.27 1wcq s ARG 102 Cb -0.04 -1.10 -0.02 0.00 0.52 0.00 0.00 34.95 34.31 1wcq s ARG 102 CO 0.03 0.27 -0.15 0.50 0.02 0.00 0.00 175.30 175.96 1wcq s ARG 103 N -1.37 2.70 -0.17 3.54 3.52 -1.26 -1.28 118.95 124.63 1wcq s ARG 103 Ca 0.03 -0.72 -0.01 0.00 -0.13 0.00 0.00 55.73 54.90 1wcq s ARG 103 Cb -0.09 -2.40 -0.01 0.00 -1.56 0.00 0.00 34.95 30.89 1wcq s ARG 103 CO 0.02 0.50 -0.12 0.45 -0.81 0.00 0.00 175.30 175.34 1wcq s SER 104 N -0.42 3.89 -0.04 -2.12 0.15 0.26 -0.53 113.70 114.89 1wcq s SER 104 Ca 0.05 -0.42 0.17 0.00 0.70 0.00 0.00 55.95 56.45 1wcq s SER 104 Cb -0.12 -1.62 0.54 0.00 -1.71 0.00 0.00 66.02 63.11 1wcq s SER 104 CO 0.02 0.08 1.46 0.35 1.20 0.00 0.00 173.24 176.34 1wcq n THR 105 N 4.13 1.33 -2.10 6.45 -2.24 -1.26 -0.18 114.28 120.40 1wcq n THR 105 Ca -0.19 -1.13 -0.00 0.00 -2.27 0.00 0.00 64.05 60.46 1wcq n THR 105 Cb 0.52 0.34 0.10 0.00 -2.10 0.00 0.00 70.33 69.19 1wcq n THR 105 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1wcq n ASP 106 N 0.94 1.97 0.00 3.42 5.68 -1.26 -4.93 116.55 122.37 1wcq n ASP 106 Ca 0.20 -3.05 0.00 0.00 -0.50 0.00 0.00 54.79 51.44 1wcq n ASP 106 Cb 0.65 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1wcq n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wcq n GLY 107 N -0.48 0.61 0.00 6.12 0.00 -1.26 -3.74 105.19 106.43 1wcq n GLY 107 Ca 0.17 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1wcq n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wcq n GLY 108 N -2.69 0.56 0.07 -0.02 0.00 -1.26 -5.00 105.19 96.85 1wcq n GLY 108 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1wcq n GLY 108 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wcq h ARG 109 N 4.22 0.06 -5.46 1.61 2.47 -1.97 -3.46 114.38 111.85 1wcq h ARG 109 Ca 0.00 -0.05 -0.42 0.00 -1.26 0.00 0.00 59.98 58.25 1wcq h ARG 109 Cb 0.00 0.01 -0.15 0.00 -1.65 0.00 0.00 29.97 28.18 1wcq h ARG 109 CO 0.00 0.67 -0.73 0.95 0.56 0.00 0.00 179.97 181.42 1wcq s THR 110 N -3.72 1.59 -0.00 2.04 -4.23 -1.26 -5.11 115.64 104.93 1wcq s THR 110 Ca -0.16 -2.13 0.02 0.00 -1.18 0.00 0.00 61.69 58.23 1wcq s THR 110 Cb 0.01 -1.96 -0.01 0.00 1.34 0.00 0.00 72.50 71.89 1wcq s THR 110 CO 0.70 -0.61 -0.06 0.26 -0.54 0.00 0.00 174.62 174.37 1wcq s TRP 111 N -2.96 0.56 0.00 3.99 0.52 -1.26 -4.31 118.94 115.49 1wcq s TRP 111 Ca 0.20 -0.11 0.00 0.00 0.02 0.00 0.00 56.10 56.21 1wcq s TRP 111 Cb -0.00 -0.36 0.00 0.00 -1.15 0.00 0.00 33.47 31.95 1wcq s TRP 111 CO 0.05 -0.01 0.00 0.41 0.02 0.00 0.00 176.95 177.42 1wcq n GLY 112 N 2.91 -0.65 3.76 0.98 0.00 0.31 -4.97 105.19 107.53 1wcq n GLY 112 Ca -0.13 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 43.81 1wcq n GLY 112 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wcq s GLU 113 N -1.12 3.56 -0.18 1.61 2.02 -1.26 -4.67 118.70 118.66 1wcq s GLU 113 Ca 0.00 2.18 -0.29 0.00 0.02 0.00 0.00 54.97 56.88 1wcq s GLU 113 Cb 0.00 -2.49 -0.02 0.00 0.10 0.00 0.00 34.13 31.71 1wcq s GLU 113 CO 0.00 -0.83 1.48 -1.14 0.02 0.00 0.00 175.26 174.78 1wcq s GLN 114 N -2.61 4.01 0.29 1.61 0.74 -1.26 -4.52 119.66 117.92 1wcq s GLN 114 Ca 0.64 1.70 0.10 0.00 0.05 0.00 0.00 55.36 57.85 1wcq s GLN 114 Cb -0.39 -3.93 -0.05 0.00 1.10 0.00 0.00 33.01 29.75 1wcq s GLN 114 CO 0.48 -1.02 -0.02 -0.65 -0.55 0.00 0.00 175.29 173.53 1wcq s GLN 115 N 4.15 2.16 -0.26 1.67 -0.21 -0.11 -4.92 119.66 122.13 1wcq s GLN 115 Ca 0.65 -1.55 -0.12 0.00 0.02 0.00 0.00 55.36 54.36 1wcq s GLN 115 Cb -0.24 -2.05 -0.05 0.00 1.00 0.00 0.00 33.01 31.67 1wcq s GLN 115 CO 0.24 0.29 0.23 0.08 -2.12 0.00 0.00 175.29 174.02 1wcq s VAL 116 N -2.40 5.29 -0.05 1.09 1.01 -1.26 -0.20 120.40 123.87 1wcq s VAL 116 Ca 0.32 0.28 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 1wcq s VAL 116 Cb -0.05 -3.57 -0.31 0.00 0.00 0.00 0.00 36.38 32.46 1wcq s VAL 116 CO 0.19 0.26 0.78 0.58 0.00 0.00 0.00 175.10 176.91 1wcq h VAL 117 N 5.25 1.26 -3.08 2.92 2.07 0.30 -3.46 116.25 121.51 1wcq h VAL 117 Ca -0.35 -2.52 -0.33 0.00 0.82 0.00 0.00 66.70 64.32 1wcq h VAL 117 Cb 1.18 2.98 -0.37 0.00 -1.52 0.00 0.00 31.29 33.55 1wcq h VAL 117 CO 0.61 0.74 -0.67 -0.44 0.02 0.00 0.00 177.57 177.83 1wcq s SER 118 N -7.13 1.03 -0.32 0.57 0.01 -0.94 -4.94 113.70 101.98 1wcq s SER 118 Ca -0.15 0.15 -0.20 0.00 1.31 0.00 0.00 55.95 57.06 1wcq s SER 118 Cb 0.03 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.41 1wcq s SER 118 CO 0.83 -0.26 0.60 0.00 0.41 0.00 0.00 173.24 174.82 1wcq s ALA 119 N 2.26 3.51 0.83 1.44 0.00 -1.26 -0.31 121.76 128.22 1wcq s ALA 119 Ca 0.04 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 1wcq s ALA 119 Cb -0.13 -3.08 0.09 0.00 0.00 0.00 0.00 23.12 20.00 1wcq s ALA 119 CO -0.06 -1.12 1.10 0.20 0.00 0.00 0.00 175.76 175.88 1wcq s GLY 120 N 1.69 1.67 -0.25 0.00 0.00 -1.09 -4.90 107.32 104.43 1wcq s GLY 120 Ca 0.24 0.30 0.02 0.00 0.00 0.00 0.00 44.72 45.27 1wcq s GLY 120 CO 0.12 0.69 -0.06 1.20 0.00 0.00 0.00 173.10 175.05 1wcq s GLN 121 N -4.84 1.80 0.26 2.90 -0.21 -0.07 -4.95 119.66 114.55 1wcq s GLN 121 Ca 0.63 -1.19 0.24 0.00 0.02 0.00 0.00 55.36 55.06 1wcq s GLN 121 Cb -0.19 -2.72 0.41 0.00 1.00 0.00 0.00 33.01 31.50 1wcq s GLN 121 CO 0.57 -0.63 1.49 1.79 -2.12 0.00 0.00 175.29 176.39 1wcq h THR 122 N 6.70 0.00 -3.20 -0.19 1.35 -1.84 -2.39 112.91 113.34 1wcq h THR 122 Ca -0.17 -0.75 -0.58 0.00 -0.55 0.00 0.00 66.41 64.37 1wcq h THR 122 Cb 1.05 1.56 -0.04 0.00 -1.73 0.00 0.00 68.15 69.00 1wcq h THR 122 CO 0.44 0.00 -0.23 0.42 -0.25 0.00 0.00 175.52 175.90 1wcq s THR 123 N -3.20 5.07 0.38 6.82 -4.23 -1.26 -4.90 115.64 114.32 1wcq s THR 123 Ca 0.06 0.37 -0.27 0.00 -1.18 0.00 0.00 61.69 60.67 1wcq s THR 123 Cb 0.10 -3.64 -0.10 0.00 1.34 0.00 0.00 72.50 70.20 1wcq s THR 123 CO 0.68 0.16 1.37 0.00 -0.54 0.00 0.00 174.62 176.29 1wcq s ALA 124 N -1.54 3.41 -0.06 3.99 0.00 -1.26 -3.23 121.76 123.06 1wcq s ALA 124 Ca 0.38 1.36 -0.30 0.00 0.00 0.00 0.00 51.96 53.41 1wcq s ALA 124 Cb -0.13 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 1wcq s ALA 124 CO 0.20 -0.88 1.27 -1.25 0.00 0.00 0.00 175.76 175.10 1wcq s PRO 125 N -2.10 4.31 0.39 0.00 0.04 -1.26 -5.12 135.00 131.25 1wcq s PRO 125 Ca 0.54 1.76 -0.26 0.00 0.04 0.00 0.00 61.00 63.07 1wcq s PRO 125 Cb -0.42 -3.61 -0.09 0.00 0.04 0.00 0.00 34.50 30.42 1wcq s PRO 125 CO 0.55 -0.54 1.23 0.42 0.04 0.00 0.00 177.00 178.70 1wcq s ILE 126 N 2.57 2.91 0.01 0.56 -1.09 -1.20 -4.92 121.20 120.04 1wcq s ILE 126 Ca 0.58 0.81 0.02 0.00 -2.23 0.00 0.00 60.65 59.83 1wcq s ILE 126 Cb -0.26 -3.48 -0.01 0.00 -1.58 0.00 0.00 42.46 37.13 1wcq s ILE 126 CO 0.22 0.11 -0.07 -0.54 -1.23 0.00 0.00 174.94 173.43 1wcq s LYS 127 N -2.16 0.51 0.04 2.79 1.02 -0.90 -4.53 119.74 116.51 1wcq s LYS 127 Ca 0.55 -0.41 0.03 0.00 0.02 0.00 0.00 55.97 56.17 1wcq s LYS 127 Cb -0.35 -0.43 -0.02 0.00 -0.52 0.00 0.00 37.83 36.51 1wcq s LYS 127 CO 0.44 0.11 -0.10 0.20 -0.92 0.00 0.00 175.35 175.09 1wcq s GLY 128 N -0.64 0.58 -0.10 -3.33 0.00 -0.16 -0.89 107.32 102.78 1wcq s GLY 128 Ca -0.02 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 43.98 1wcq s GLY 128 CO 0.00 -0.75 -0.10 -1.36 0.00 0.00 0.00 173.10 170.88 1wcq s PHE 129 N -1.08 1.53 -0.08 1.90 0.08 -0.49 -0.46 117.98 119.39 1wcq s PHE 129 Ca -0.05 -0.69 -0.18 0.00 0.12 0.00 0.00 56.93 56.13 1wcq s PHE 129 Cb -0.08 -1.19 0.04 0.00 -0.57 0.00 0.00 43.02 41.21 1wcq s PHE 129 CO 0.01 -0.42 0.43 0.45 -0.10 0.00 0.00 175.22 175.58 1wcq s SER 130 N 1.24 -0.38 -0.30 1.36 0.15 -1.18 -3.09 113.70 111.50 1wcq s SER 130 Ca -0.03 0.52 -0.03 0.00 0.70 0.00 0.00 55.95 57.10 1wcq s SER 130 Cb -0.14 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1wcq s SER 130 CO -0.03 -0.36 0.32 0.47 1.20 0.00 0.00 173.24 174.84 1wcq n ASP 131 N 1.82 -4.88 -4.79 5.45 9.92 -1.26 -1.30 116.55 121.50 1wcq n ASP 131 Ca -0.18 0.09 -0.36 0.00 -0.53 0.00 0.00 54.79 53.82 1wcq n ASP 131 Cb 0.56 -3.14 -0.07 0.00 -0.64 0.00 0.00 41.12 37.84 1wcq n ASP 131 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1wcq s PRO 132 N -2.50 4.46 -0.07 -0.24 0.04 -1.26 -4.29 135.00 131.14 1wcq s PRO 132 Ca 0.05 1.25 -0.00 0.00 0.04 0.00 0.00 61.00 62.34 1wcq s PRO 132 Cb -0.01 -2.58 0.03 0.00 0.04 0.00 0.00 34.50 31.97 1wcq s PRO 132 CO 0.37 0.17 -0.03 0.45 0.04 0.00 0.00 177.00 178.00 1wcq s SER 133 N -1.82 1.58 0.44 6.66 0.15 -0.20 -1.75 113.70 118.77 1wcq s SER 133 Ca 0.54 -0.15 -0.21 0.00 0.70 0.00 0.00 55.95 56.84 1wcq s SER 133 Cb -0.15 -0.55 -0.10 0.00 -1.71 0.00 0.00 66.02 63.51 1wcq s SER 133 CO 0.20 -0.14 0.97 -0.31 1.20 0.00 0.00 173.24 175.16 1wcq s TYR 134 N 1.63 3.27 -0.16 3.44 4.12 -1.01 -0.61 117.35 128.02 1wcq s TYR 134 Ca 0.01 1.60 -0.06 0.00 0.02 0.00 0.00 57.07 58.63 1wcq s TYR 134 Cb -0.13 -2.88 0.08 0.00 -1.52 0.00 0.00 41.96 37.51 1wcq s TYR 134 CO -0.04 -0.24 0.34 -1.17 0.02 0.00 0.00 175.55 174.46 1wcq s LEU 135 N -3.28 -0.43 -0.21 -1.29 0.20 -0.05 -0.50 118.68 113.13 1wcq s LEU 135 Ca 0.63 0.80 -0.07 0.00 0.69 0.00 0.00 54.13 56.18 1wcq s LEU 135 Cb -0.10 1.04 -0.03 0.00 -0.43 0.00 0.00 46.19 46.67 1wcq s LEU 135 CO 0.15 -0.23 0.05 -0.69 -0.29 0.00 0.00 176.35 175.34 1wcq s VAL 136 N 2.42 4.41 -0.56 1.68 1.01 -1.26 -0.43 120.40 127.66 1wcq s VAL 136 Ca -0.01 -0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 1wcq s VAL 136 Cb -0.12 -3.01 0.04 0.00 0.00 0.00 0.00 36.38 33.29 1wcq s VAL 136 CO -0.11 0.41 1.03 -0.62 0.00 0.00 0.00 175.10 175.81 1wcq s ASP 137 N 0.97 6.37 0.00 3.32 -1.08 -0.21 -4.61 116.67 121.43 1wcq s ASP 137 Ca 0.03 -0.21 0.25 0.00 -0.52 0.00 0.00 52.55 52.10 1wcq s ASP 137 Cb -0.14 -2.48 1.25 0.00 -1.46 0.00 0.00 42.92 40.09 1wcq s ASP 137 CO 0.03 -1.32 1.84 0.54 0.52 0.00 0.00 175.17 176.77 1wcq n ARG 138 N 7.82 0.33 -0.06 4.34 1.74 -1.26 -1.02 116.66 128.54 1wcq n ARG 138 Ca 0.04 0.05 -0.19 0.00 -0.77 0.00 0.00 57.85 56.98 1wcq n ARG 138 Cb 0.48 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.29 1wcq n ARG 138 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1wcq n GLU 139 N -1.30 0.70 -0.01 5.56 1.02 -1.26 -4.49 120.64 120.86 1wcq n GLU 139 Ca 0.11 0.20 0.11 0.00 -0.02 0.00 0.00 57.16 57.56 1wcq n GLU 139 Cb 0.21 -1.62 -0.16 0.00 -0.02 0.00 0.00 31.44 29.85 1wcq n GLU 139 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1wcq n THR 140 N -3.33 0.00 -0.21 2.62 -2.24 -1.23 -5.01 114.28 104.88 1wcq n THR 140 Ca -0.38 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1wcq n THR 140 Cb 1.03 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1wcq n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wcq n GLY 141 N 1.31 0.62 3.82 3.38 0.00 -0.19 -5.07 105.19 109.08 1wcq n GLY 141 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1wcq n GLY 141 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wcq s THR 142 N -2.39 4.49 -0.03 2.61 2.01 -1.18 -4.68 115.64 116.48 1wcq s THR 142 Ca 0.00 1.32 0.04 0.00 0.31 0.00 0.00 61.69 63.36 1wcq s THR 142 Cb 0.00 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 1wcq s THR 142 CO 0.00 -0.10 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.05 1wcq s ILE 143 N -1.90 1.27 0.04 1.82 1.01 -0.65 -1.04 121.20 121.75 1wcq s ILE 143 Ca 0.54 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.61 1wcq s ILE 143 Cb -0.12 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 1wcq s ILE 143 CO 0.18 0.37 -0.19 -0.36 0.00 0.00 0.00 174.94 174.93 1wcq s PHE 144 N -0.11 2.52 -0.25 3.97 0.08 0.43 -0.42 117.98 124.20 1wcq s PHE 144 Ca 0.01 -0.28 0.01 0.00 0.12 0.00 0.00 56.93 56.78 1wcq s PHE 144 Cb -0.09 -1.46 0.07 0.00 -0.57 0.00 0.00 43.02 40.98 1wcq s PHE 144 CO 0.01 0.23 -0.01 1.21 -0.10 0.00 0.00 175.22 176.56 1wcq s ASN 145 N -1.38 3.90 0.22 1.36 3.84 0.73 -0.87 114.94 122.74 1wcq s ASN 145 Ca 0.14 -1.33 -0.19 0.00 0.21 0.00 0.00 52.86 51.69 1wcq s ASN 145 Cb -0.10 -1.13 -0.08 0.00 -0.55 0.00 0.00 41.25 39.38 1wcq s ASN 145 CO 0.05 -0.28 0.71 -0.36 -2.79 0.00 0.00 177.10 174.42 1wcq s PHE 146 N 1.41 3.64 -0.05 0.43 0.08 0.22 -0.14 117.98 123.56 1wcq s PHE 146 Ca -0.01 1.36 -0.31 0.00 0.12 0.00 0.00 56.93 58.09 1wcq s PHE 146 Cb -0.18 -2.60 0.11 0.00 -0.57 0.00 0.00 43.02 39.78 1wcq s PHE 146 CO -0.09 0.34 1.07 -3.38 -0.10 0.00 0.00 175.22 173.06 1wcq s HIS 147 N -1.52 -0.20 0.57 0.36 -3.43 -0.78 -1.03 115.29 109.27 1wcq s HIS 147 Ca 0.43 0.07 -0.15 0.00 -0.80 0.00 0.00 55.06 54.61 1wcq s HIS 147 Cb -0.16 0.54 -0.05 0.00 -1.43 0.00 0.00 32.58 31.48 1wcq s HIS 147 CO 0.21 -0.42 1.02 0.14 -2.00 0.00 0.00 174.74 173.69 1wcq s VAL 148 N -2.79 4.28 -0.24 -5.38 -7.23 -0.42 -1.02 120.40 107.60 1wcq s VAL 148 Ca 0.09 0.99 0.02 0.00 -1.81 0.00 0.00 61.98 61.27 1wcq s VAL 148 Cb -0.00 -3.60 0.06 0.00 0.56 0.00 0.00 36.38 33.39 1wcq s VAL 148 CO -0.05 -0.72 -0.09 -0.47 -0.31 0.00 0.00 175.10 173.46 1wcq s TYR 149 N -2.70 2.86 0.20 2.82 5.04 -0.03 -3.11 117.35 122.43 1wcq s TYR 149 Ca 0.60 -2.02 0.06 0.00 -2.44 0.00 0.00 57.07 53.26 1wcq s TYR 149 Cb -0.12 -1.78 -0.04 0.00 0.35 0.00 0.00 41.96 40.37 1wcq s TYR 149 CO 0.39 -0.83 0.17 -1.54 -1.34 0.00 0.00 175.55 172.40 1wcq s SER 150 N 1.24 5.56 0.00 4.32 1.04 0.40 -1.22 113.70 125.04 1wcq s SER 150 Ca -0.06 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1wcq s SER 150 Cb -0.19 -1.45 0.00 0.00 0.10 0.00 0.00 66.02 64.48 1wcq s SER 150 CO -0.06 0.03 0.00 0.00 0.98 0.00 0.00 173.24 174.19 1wcq n GLN 151 N -0.66 0.00 0.04 4.02 6.02 -1.26 -0.99 117.38 124.55 1wcq n GLN 151 Ca -0.08 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.91 1wcq n GLN 151 Cb 0.56 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.75 1wcq n GLN 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wcq h ARG 152 N 0.00 0.00 -6.23 -1.09 3.08 -1.52 -3.44 114.38 105.18 1wcq h ARG 152 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1wcq h ARG 152 Cb 0.00 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 29.81 1wcq h ARG 152 CO 0.00 0.29 -0.84 -0.65 -1.07 0.00 0.00 179.97 177.70 1wcq s GLN 153 N -2.94 1.36 0.00 0.04 -1.52 -1.25 -4.84 119.66 110.50 1wcq s GLN 153 Ca -0.02 -1.05 0.00 0.00 -1.95 0.00 0.00 55.36 52.34 1wcq s GLN 153 Cb 0.09 -1.55 0.00 0.00 -0.22 0.00 0.00 33.01 31.33 1wcq s GLN 153 CO 0.81 0.38 0.00 0.41 -0.25 0.00 0.00 175.29 176.64 1wcq n GLY 154 N 1.56 1.16 0.07 3.09 0.00 -1.26 -4.50 105.19 105.31 1wcq n GLY 154 Ca -0.18 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 43.85 1wcq n GLY 154 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wcq h PHE 155 N 0.00 0.11 -0.23 1.61 3.57 -1.94 -1.36 116.94 118.69 1wcq h PHE 155 Ca 0.00 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1wcq h PHE 155 Cb 0.00 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1wcq h PHE 155 CO 0.00 0.28 -0.23 0.00 -2.23 0.00 0.00 178.31 176.13 1wcq h ALA 156 N 0.81 1.17 0.00 2.41 0.00 -1.96 -3.26 119.26 118.43 1wcq h ALA 156 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1wcq h ALA 156 Cb 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1wcq h ALA 156 CO -0.00 0.53 -0.65 0.78 0.00 0.00 0.00 179.25 179.91 1wcq h GLY 157 N 1.00 0.00 -3.84 0.00 0.00 -1.89 -3.48 103.07 94.85 1wcq h GLY 157 Ca 0.06 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.82 1wcq h GLY 157 CO 0.04 0.00 0.41 -1.26 0.00 0.00 0.00 176.54 175.74 1wcq n SER 158 N -2.19 2.28 -4.67 0.19 2.88 -0.53 -4.87 113.62 106.71 1wcq n SER 158 Ca 0.03 1.12 -0.23 0.00 -1.33 0.00 0.00 58.87 58.45 1wcq n SER 158 Cb 0.45 -1.46 -0.07 0.00 -0.75 0.00 0.00 64.21 62.39 1wcq n SER 158 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1wcq s ARG 159 N -2.07 2.38 0.50 -1.46 0.52 -0.51 -4.63 118.95 113.67 1wcq s ARG 159 Ca 0.60 -1.33 -0.22 0.00 -0.52 0.00 0.00 55.73 54.26 1wcq s ARG 159 Cb -0.54 -2.24 -0.08 0.00 0.52 0.00 0.00 34.95 32.62 1wcq s ARG 159 CO 0.59 0.38 1.08 -2.30 0.02 0.00 0.00 175.30 175.07 1wcq n PRO 160 N -0.80 1.34 0.00 3.54 -0.02 -1.26 -4.60 135.00 133.20 1wcq n PRO 160 Ca -0.07 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1wcq n PRO 160 Cb 0.58 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1wcq n PRO 160 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wcq n GLY 161 N 1.10 4.42 0.00 -1.23 0.00 -1.26 -4.96 105.19 103.26 1wcq n GLY 161 Ca 0.10 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1wcq n GLY 161 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wcq n THR 162 N -1.95 0.12 -2.21 2.61 -2.24 -1.26 -4.98 114.28 104.37 1wcq n THR 162 Ca 0.00 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 1wcq n THR 162 Cb 0.00 1.26 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 1wcq n THR 162 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wcq s ASP 163 N -0.12 6.84 0.53 3.42 2.15 -1.26 -4.20 116.67 124.03 1wcq s ASP 163 Ca 0.00 2.15 0.36 0.00 0.43 0.00 0.00 52.55 55.50 1wcq s ASP 163 Cb 0.00 -2.56 1.53 0.00 -0.30 0.00 0.00 42.92 41.58 1wcq s ASP 163 CO 0.00 -0.71 1.78 -0.65 -0.17 0.00 0.00 175.17 175.42 1wcq h PRO 164 N 7.71 0.04 0.00 4.34 0.11 -1.98 -1.05 132.00 141.17 1wcq h PRO 164 Ca -0.39 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1wcq h PRO 164 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1wcq h PRO 164 CO 0.90 0.02 -0.71 0.00 -0.21 0.00 0.00 178.00 178.00 1wcq n ALA 165 N -2.75 3.54 -1.57 -0.75 0.00 -1.26 -4.94 120.51 112.77 1wcq n ALA 165 Ca 0.27 -0.37 -0.46 0.00 0.00 0.00 0.00 53.44 52.88 1wcq n ALA 165 Cb 1.29 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.64 1wcq n ALA 165 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wcq n ASP 166 N -1.72 3.02 0.00 0.00 -0.08 -0.40 -4.83 116.55 112.54 1wcq n ASP 166 Ca 0.04 0.44 0.08 0.00 -1.51 0.00 0.00 54.79 53.84 1wcq n ASP 166 Cb 0.38 -1.44 0.37 0.00 2.34 0.00 0.00 41.12 42.77 1wcq n ASP 166 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1wcq n PRO 167 N 8.17 0.01 -0.32 -0.67 -0.04 -1.26 -2.81 135.00 138.08 1wcq n PRO 167 Ca 0.31 0.21 0.09 0.00 -0.04 0.00 0.00 63.50 64.07 1wcq n PRO 167 Cb 0.36 -1.51 0.25 0.00 -0.04 0.00 0.00 33.50 32.56 1wcq n PRO 167 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wcq n ASN 168 N -1.52 3.61 -4.76 3.54 3.02 -1.26 -1.40 115.26 116.49 1wcq n ASN 168 Ca 0.04 -2.10 -0.36 0.00 -0.03 0.00 0.00 54.58 52.14 1wcq n ASN 168 Cb 0.20 -0.39 -0.08 0.00 -0.61 0.00 0.00 39.78 38.90 1wcq n ASN 168 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wcq s VAL 169 N -1.18 4.95 -0.49 2.41 1.01 -1.12 -1.43 120.40 124.56 1wcq s VAL 169 Ca 0.38 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 62.12 1wcq s VAL 169 Cb 0.21 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.47 1wcq s VAL 169 CO 0.24 0.58 0.89 -0.22 0.00 0.00 0.00 175.10 176.59 1wcq s LEU 170 N -0.65 4.10 0.40 3.92 2.96 -1.26 -4.52 118.68 123.63 1wcq s LEU 170 Ca 0.12 -0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 53.85 1wcq s LEU 170 Cb -0.12 -3.02 -0.06 0.00 0.50 0.00 0.00 46.19 43.49 1wcq s LEU 170 CO 0.02 -1.07 0.74 -1.00 -1.32 0.00 0.00 176.35 173.73 1wcq s HIS 171 N 3.70 3.48 -0.45 5.38 3.76 -0.36 -4.37 115.29 126.43 1wcq s HIS 171 Ca 0.33 0.97 -0.20 0.00 -0.15 0.00 0.00 55.06 56.02 1wcq s HIS 171 Cb -0.11 -2.38 0.03 0.00 1.11 0.00 0.00 32.58 31.22 1wcq s HIS 171 CO 0.23 -0.09 0.59 0.00 -0.85 0.00 0.00 174.74 174.62 1wcq s ALA 172 N -2.37 3.37 0.26 -1.40 0.00 -1.26 -0.85 121.76 119.51 1wcq s ALA 172 Ca 0.50 -1.39 0.07 0.00 0.00 0.00 0.00 51.96 51.14 1wcq s ALA 172 Cb -0.10 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1wcq s ALA 172 CO 0.32 -1.79 0.20 -0.80 0.00 0.00 0.00 175.76 173.69 1wcq s ASN 173 N 2.09 5.47 -0.07 0.00 -0.87 -0.19 -0.92 114.94 120.46 1wcq s ASN 173 Ca 0.19 -0.29 -0.06 0.00 -1.57 0.00 0.00 52.86 51.13 1wcq s ASN 173 Cb -0.16 -1.34 0.02 0.00 -0.02 0.00 0.00 41.25 39.75 1wcq s ASN 173 CO 0.16 -0.07 0.18 0.54 -2.57 0.00 0.00 177.10 175.34 1wcq s VAL 174 N -2.16 -0.00 -0.15 1.60 0.11 -0.48 -1.86 120.40 117.46 1wcq s VAL 174 Ca 0.34 0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 59.34 1wcq s VAL 174 Cb -0.08 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1wcq s VAL 174 CO 0.25 0.01 0.06 0.00 -3.33 0.00 0.00 175.10 172.09 1wcq s ALA 175 N 0.19 3.47 -0.09 1.54 0.00 0.80 -1.85 121.76 125.81 1wcq s ALA 175 Ca -0.01 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1wcq s ALA 175 Cb -0.02 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 1wcq s ALA 175 CO -0.00 0.37 -0.18 0.99 0.00 0.00 0.00 175.76 176.94 1wcq s THR 176 N -0.23 2.63 -0.08 0.00 2.01 0.12 -0.19 115.64 119.89 1wcq s THR 176 Ca 0.08 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.27 1wcq s THR 176 Cb -0.12 -2.04 0.01 0.00 0.01 0.00 0.00 72.50 70.35 1wcq s THR 176 CO 0.01 0.55 -0.17 -0.55 -0.69 0.00 0.00 174.62 173.78 1wcq s SER 177 N 0.05 2.26 0.00 3.53 0.15 0.44 -0.85 113.70 119.28 1wcq s SER 177 Ca -0.07 -0.40 0.19 0.00 0.70 0.00 0.00 55.95 56.38 1wcq s SER 177 Cb -0.15 -1.04 0.40 0.00 -1.71 0.00 0.00 66.02 63.52 1wcq s SER 177 CO 0.05 0.08 1.33 0.35 1.20 0.00 0.00 173.24 176.25 1wcq n THR 178 N 3.72 0.63 -1.77 6.45 -2.24 -1.26 -1.63 114.28 118.17 1wcq n THR 178 Ca -0.21 -0.81 -0.03 0.00 -2.27 0.00 0.00 64.05 60.72 1wcq n THR 178 Cb 0.52 0.84 0.15 0.00 -2.10 0.00 0.00 70.33 69.74 1wcq n THR 178 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1wcq n ASP 179 N 1.24 2.64 0.00 3.42 5.68 -1.26 -4.94 116.55 123.33 1wcq n ASP 179 Ca 0.17 -3.77 0.00 0.00 -0.50 0.00 0.00 54.79 50.69 1wcq n ASP 179 Cb 0.54 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 1wcq n ASP 179 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wcq n GLY 180 N -0.94 0.52 1.35 6.12 0.00 -1.26 -3.49 105.19 107.49 1wcq n GLY 180 Ca 0.26 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1wcq n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wcq n GLY 181 N -2.79 0.71 0.08 -0.02 0.00 -1.26 -4.98 105.19 96.93 1wcq n GLY 181 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1wcq n GLY 181 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wcq h LEU 182 N 0.00 -0.06 -8.80 0.99 3.38 -1.96 -3.46 115.31 105.39 1wcq h LEU 182 Ca 0.00 -0.40 -0.43 0.00 0.09 0.00 0.00 57.88 57.14 1wcq h LEU 182 Cb 0.00 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 40.61 1wcq h LEU 182 CO 0.00 0.37 -0.74 0.42 0.09 0.00 0.00 178.44 178.58 1wcq s THR 183 N -4.40 1.60 -0.03 0.22 -4.23 -1.26 -5.11 115.64 102.43 1wcq s THR 183 Ca -0.15 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 58.30 1wcq s THR 183 Cb 0.02 -1.91 0.01 0.00 1.34 0.00 0.00 72.50 71.96 1wcq s THR 183 CO 0.64 -0.56 -0.06 0.26 -0.54 0.00 0.00 174.62 174.36 1wcq s TRP 184 N -2.78 0.78 0.23 3.99 0.52 -1.26 -4.37 118.94 116.04 1wcq s TRP 184 Ca 0.19 -0.20 0.03 0.00 0.02 0.00 0.00 56.10 56.14 1wcq s TRP 184 Cb -0.01 -0.61 -0.03 0.00 -1.15 0.00 0.00 33.47 31.66 1wcq s TRP 184 CO 0.05 -0.13 0.37 -1.54 0.02 0.00 0.00 176.95 175.72 1wcq s SER 185 N 0.50 6.33 0.01 2.95 1.04 -0.03 -4.91 113.70 119.58 1wcq s SER 185 Ca -0.07 0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.57 1wcq s SER 185 Cb -0.11 -1.90 -0.02 0.00 0.10 0.00 0.00 66.02 64.10 1wcq s SER 185 CO 0.00 -0.07 -0.16 -1.00 0.98 0.00 0.00 173.24 173.00 1wcq s HIS 186 N -1.96 1.39 0.12 5.02 0.09 -1.26 0.10 115.29 118.79 1wcq s HIS 186 Ca 0.35 -0.30 -0.11 0.00 -0.00 0.00 0.00 55.06 55.01 1wcq s HIS 186 Cb -0.10 -0.87 0.01 0.00 -0.00 0.00 0.00 32.58 31.62 1wcq s HIS 186 CO 0.30 0.01 0.27 -0.98 -0.00 0.00 0.00 174.74 174.34 1wcq s ARG 187 N -0.65 0.99 -0.20 1.40 1.70 -0.77 -5.02 118.95 116.40 1wcq s ARG 187 Ca 0.05 -0.95 -0.06 0.00 -0.47 0.00 0.00 55.73 54.31 1wcq s ARG 187 Cb -0.07 0.39 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 1wcq s ARG 187 CO 0.00 -0.35 0.02 0.99 -1.08 0.00 0.00 175.30 174.88 1wcq s THR 188 N -3.87 4.18 -0.59 4.99 2.01 -1.26 -1.39 115.64 119.71 1wcq s THR 188 Ca 0.07 -0.24 0.12 0.00 0.31 0.00 0.00 61.69 61.95 1wcq s THR 188 Cb 0.04 -2.89 0.34 0.00 0.01 0.00 0.00 72.50 69.99 1wcq s THR 188 CO -0.08 0.43 1.27 2.30 -0.69 0.00 0.00 174.62 177.85 1wcq n ILE 189 N 4.12 1.40 -0.17 1.82 -5.35 -0.10 -4.79 119.36 116.29 1wcq n ILE 189 Ca -0.17 -1.30 -0.03 0.00 -0.27 0.00 0.00 62.75 60.98 1wcq n ILE 189 Cb 0.52 0.26 0.03 0.00 -1.74 0.00 0.00 39.64 38.71 1wcq n ILE 189 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1wcq h THR 190 N 1.68 0.38 -0.94 7.28 2.02 -1.88 -0.70 112.91 120.74 1wcq h THR 190 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1wcq h THR 190 Cb 0.92 0.38 -0.07 0.00 -1.74 0.00 0.00 68.15 67.64 1wcq h THR 190 CO 0.06 0.00 0.59 0.00 0.37 0.00 0.00 175.52 176.55 1wcq h ALA 191 N 1.37 1.34 0.00 6.16 0.00 -1.87 -1.58 119.26 124.68 1wcq h ALA 191 Ca 0.25 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1wcq h ALA 191 Cb 0.45 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1wcq h ALA 191 CO -0.57 0.31 -0.08 -0.44 0.00 0.00 0.00 179.25 178.47 1wcq h ASP 192 N 1.04 0.00 -0.10 0.00 5.19 -1.44 -3.07 116.42 118.03 1wcq h ASP 192 Ca 0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 1wcq h ASP 192 Cb 0.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.78 1wcq h ASP 192 CO -0.20 0.08 0.00 2.30 -3.12 0.00 0.00 179.24 178.29 1wcq n ILE 193 N -4.10 1.36 -3.59 0.35 -5.35 -0.85 -4.04 119.36 103.13 1wcq n ILE 193 Ca -0.03 -1.40 -0.28 0.00 -0.27 0.00 0.00 62.75 60.78 1wcq n ILE 193 Cb 0.16 0.24 -0.09 0.00 -1.74 0.00 0.00 39.64 38.21 1wcq n ILE 193 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1wcq n THR 194 N -0.51 2.19 0.20 7.28 -1.04 -0.65 -4.50 114.28 117.26 1wcq n THR 194 Ca 0.09 -5.11 0.07 0.00 -2.04 0.00 0.00 64.05 57.05 1wcq n THR 194 Cb 0.45 -2.14 0.38 0.00 -1.82 0.00 0.00 70.33 67.20 1wcq n THR 194 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1wcq h PRO 195 N 4.67 0.00 -4.98 -2.82 0.13 -1.86 -3.41 132.00 123.73 1wcq h PRO 195 Ca 0.18 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.66 1wcq h PRO 195 Cb 0.70 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.60 1wcq h PRO 195 CO 0.81 0.32 -0.63 0.34 -0.23 0.00 0.00 178.00 178.62 1wcq s ASP 196 N -6.37 5.13 0.00 1.44 -1.08 -1.26 -4.99 116.67 109.54 1wcq s ASP 196 Ca 0.00 -0.19 0.21 0.00 -0.52 0.00 0.00 52.55 52.05 1wcq s ASP 196 Cb 0.11 -1.92 0.99 0.00 -1.46 0.00 0.00 42.92 40.64 1wcq s ASP 196 CO 0.67 -0.02 1.66 -0.81 0.52 0.00 0.00 175.17 177.20 1wcq n PRO 197 N 4.80 0.18 0.03 4.34 -0.04 -1.26 -2.13 135.00 140.92 1wcq n PRO 197 Ca -0.16 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.54 1wcq n PRO 197 Cb 0.51 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 33.01 1wcq n PRO 197 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wcq n GLY 198 N 0.54 -1.50 3.55 0.55 0.00 -1.26 -4.58 105.19 102.49 1wcq n GLY 198 Ca 0.08 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1wcq n GLY 198 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wcq s TRP 199 N -3.04 1.97 -2.37 1.61 0.52 -0.91 -1.91 118.94 114.81 1wcq s TRP 199 Ca 0.12 0.36 0.24 0.00 0.02 0.00 0.00 56.10 56.84 1wcq s TRP 199 Cb 0.16 -4.35 0.34 0.00 -1.15 0.00 0.00 33.47 28.47 1wcq s TRP 199 CO 0.52 -2.18 1.32 2.89 0.02 0.00 0.00 176.95 179.52 1wcq n ARG 200 N 9.27 1.58 -3.66 4.98 1.85 -0.62 -4.74 116.66 125.31 1wcq n ARG 200 Ca 0.13 -1.21 -0.15 0.00 -1.00 0.00 0.00 57.85 55.62 1wcq n ARG 200 Cb 0.50 -1.47 -0.08 0.00 -1.05 0.00 0.00 32.46 30.36 1wcq n ARG 200 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1wcq s SER 201 N -2.25 -0.40 0.05 2.89 0.15 -1.25 -3.35 113.70 109.53 1wcq s SER 201 Ca 0.26 0.41 -0.22 0.00 0.70 0.00 0.00 55.95 57.09 1wcq s SER 201 Cb 0.19 0.46 0.05 0.00 -1.71 0.00 0.00 66.02 65.01 1wcq s SER 201 CO 0.44 -0.49 0.51 0.00 1.20 0.00 0.00 173.24 174.90 1wcq s ARG 202 N -1.14 1.03 -0.07 5.44 3.03 -1.26 -2.00 118.95 123.98 1wcq s ARG 202 Ca -0.11 -0.25 -0.10 0.00 2.03 0.00 0.00 55.73 57.30 1wcq s ARG 202 Cb -0.03 0.47 0.02 0.00 -1.03 0.00 0.00 34.95 34.38 1wcq s ARG 202 CO 0.06 -0.37 0.25 -0.59 -1.13 0.00 0.00 175.30 173.52 1wcq s PHE 203 N -2.46 -0.22 0.27 5.89 -0.00 -0.47 -4.78 117.98 116.21 1wcq s PHE 203 Ca -0.05 0.50 -0.30 0.00 -0.00 0.00 0.00 56.93 57.08 1wcq s PHE 203 Cb -0.01 0.08 -0.10 0.00 -0.00 0.00 0.00 43.02 42.99 1wcq s PHE 203 CO -0.02 -0.20 1.40 0.00 -0.00 0.00 0.00 175.22 176.40 1wcq s ALA 204 N -0.33 3.58 0.02 1.99 0.00 -1.26 -1.19 121.76 124.58 1wcq s ALA 204 Ca -0.04 1.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.91 1wcq s ALA 204 Cb -0.03 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.48 1wcq s ALA 204 CO 0.01 -0.71 1.64 0.00 0.00 0.00 0.00 175.76 176.70 1wcq s ALA 205 N -0.33 3.65 0.50 0.00 0.00 -0.20 -4.91 121.76 120.47 1wcq s ALA 205 Ca 0.56 1.09 -0.21 0.00 0.00 0.00 0.00 51.96 53.40 1wcq s ALA 205 Cb -0.41 -3.71 -0.07 0.00 0.00 0.00 0.00 23.12 18.94 1wcq s ALA 205 CO 0.46 -1.19 1.15 -1.54 0.00 0.00 0.00 175.76 174.64 1wcq s SER 206 N 2.72 5.97 0.00 0.00 1.04 -1.26 -4.63 113.70 117.55 1wcq s SER 206 Ca 0.73 2.26 0.00 0.00 0.48 0.00 0.00 55.95 59.42 1wcq s SER 206 Cb -0.37 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.16 1wcq s SER 206 CO 0.31 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1wcq n GLY 207 N 0.33 0.80 3.35 7.32 0.00 -0.72 -4.94 105.19 111.33 1wcq n GLY 207 Ca 0.09 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.36 1wcq n GLY 207 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wcq s GLU 208 N 0.00 0.41 0.39 1.61 2.12 -1.26 -2.39 118.70 119.58 1wcq s GLU 208 Ca 0.00 1.03 -0.06 0.00 0.36 0.00 0.00 54.97 56.31 1wcq s GLU 208 Cb 0.00 0.28 0.09 0.00 0.26 0.00 0.00 34.13 34.75 1wcq s GLU 208 CO 0.00 -0.21 0.54 0.41 -0.54 0.00 0.00 175.26 175.46 1wcq n GLY 209 N 4.97 -0.89 3.27 -1.50 0.00 0.34 -4.91 105.19 106.47 1wcq n GLY 209 Ca -0.14 -1.75 -0.15 0.00 0.00 0.00 0.00 46.02 43.98 1wcq n GLY 209 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wcq s ILE 210 N -2.02 1.15 -0.11 -0.61 -4.36 -0.92 -4.73 121.20 109.60 1wcq s ILE 210 Ca 0.31 -2.06 0.02 0.00 -0.26 0.00 0.00 60.65 58.66 1wcq s ILE 210 Cb -0.01 -1.98 -0.01 0.00 1.25 0.00 0.00 42.46 41.71 1wcq s ILE 210 CO 0.22 -0.63 -0.18 -1.58 0.24 0.00 0.00 174.94 173.00 1wcq s GLN 211 N -3.78 3.19 0.34 0.37 0.74 -1.26 -0.45 119.66 118.82 1wcq s GLN 211 Ca 0.20 -0.78 -0.28 0.00 0.05 0.00 0.00 55.36 54.55 1wcq s GLN 211 Cb 0.03 -2.46 -0.10 0.00 1.10 0.00 0.00 33.01 31.58 1wcq s GLN 211 CO 0.03 0.21 1.34 -0.51 -0.55 0.00 0.00 175.29 175.82 1wcq s LEU 212 N 0.30 4.39 -0.05 3.68 1.43 0.02 -4.89 118.68 123.56 1wcq s LEU 212 Ca -0.14 2.76 0.14 0.00 -1.03 0.00 0.00 54.13 55.86 1wcq s LEU 212 Cb -0.17 -3.67 -0.21 0.00 0.03 0.00 0.00 46.19 42.18 1wcq s LEU 212 CO 0.07 -0.62 0.24 0.54 0.23 0.00 0.00 176.35 176.81 1wcq n ARG 213 N 0.69 0.83 -4.33 1.70 5.12 -1.26 0.25 116.66 119.65 1wcq n ARG 213 Ca 0.00 -0.10 -0.23 0.00 -1.93 0.00 0.00 57.85 55.59 1wcq n ARG 213 Cb 0.41 -1.35 -0.08 0.00 -1.16 0.00 0.00 32.46 30.28 1wcq n ARG 213 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1wcq s TYR 214 N -2.82 2.60 0.00 -1.55 2.02 -1.26 -4.77 117.35 111.57 1wcq s TYR 214 Ca -0.06 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1wcq s TYR 214 Cb 0.08 -1.15 0.00 0.00 -0.40 0.00 0.00 41.96 40.49 1wcq s TYR 214 CO 0.60 0.64 0.00 0.41 -1.57 0.00 0.00 175.55 175.63 1wcq n GLY 215 N -0.80 -0.00 0.05 0.71 0.00 -1.26 -2.88 105.19 101.01 1wcq n GLY 215 Ca -0.06 -0.98 0.13 0.00 0.00 0.00 0.00 46.02 45.11 1wcq n GLY 215 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wcq n PRO 216 N 0.00 0.13 -0.18 1.61 -0.04 -1.26 -2.72 135.00 132.55 1wcq n PRO 216 Ca 0.00 0.13 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 1wcq n PRO 216 Cb 0.00 -1.66 0.17 0.00 -0.04 0.00 0.00 33.50 31.97 1wcq n PRO 216 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1wcq n HIS 217 N -1.89 0.47 -1.48 0.54 8.25 -1.26 -5.00 115.22 114.85 1wcq n HIS 217 Ca 0.06 -0.39 -0.58 0.00 -0.26 0.00 0.00 57.72 56.55 1wcq n HIS 217 Cb 0.37 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.39 1wcq n HIS 217 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wcq n ALA 218 N 0.84 -2.76 -0.03 -1.41 0.00 -1.10 -0.32 120.51 115.74 1wcq n ALA 218 Ca 0.14 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1wcq n ALA 218 Cb 0.46 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1wcq n ALA 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wcq n GLY 219 N 2.17 0.43 3.74 0.00 0.00 0.14 -4.97 105.19 106.70 1wcq n GLY 219 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1wcq n GLY 219 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wcq s ARG 220 N -0.87 4.30 -0.15 1.61 3.52 0.57 -4.74 118.95 123.19 1wcq s ARG 220 Ca 0.00 2.23 -0.18 0.00 -0.13 0.00 0.00 55.73 57.65 1wcq s ARG 220 Cb 0.00 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 1wcq s ARG 220 CO 0.00 -0.37 0.48 -0.51 -0.81 0.00 0.00 175.30 174.09 1wcq s LEU 221 N -0.34 4.23 -0.12 -0.88 1.43 -0.78 -0.80 118.68 121.42 1wcq s LEU 221 Ca 0.58 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 1wcq s LEU 221 Cb -0.40 -2.69 0.02 0.00 0.03 0.00 0.00 46.19 43.15 1wcq s LEU 221 CO 0.42 -0.05 -0.11 -0.63 0.23 0.00 0.00 176.35 176.21 1wcq s ILE 222 N 0.94 1.27 -0.08 -0.59 1.01 0.40 -1.91 121.20 122.24 1wcq s ILE 222 Ca 0.25 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.48 1wcq s ILE 222 Cb -0.15 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.10 1wcq s ILE 222 CO 0.10 0.40 -0.22 -1.58 0.00 0.00 0.00 174.94 173.65 1wcq s GLN 223 N 1.44 2.64 0.26 2.79 2.00 -0.34 -2.16 119.66 126.30 1wcq s GLN 223 Ca 0.02 -0.78 -0.26 0.00 -2.00 0.00 0.00 55.36 52.33 1wcq s GLN 223 Cb -0.13 -2.07 -0.09 0.00 0.80 0.00 0.00 33.01 31.52 1wcq s GLN 223 CO -0.07 0.19 0.88 -0.65 -0.50 0.00 0.00 175.29 175.14 1wcq s GLN 224 N 0.29 4.60 0.21 1.67 -1.52 -1.26 -0.57 119.66 123.08 1wcq s GLN 224 Ca -0.15 1.26 0.08 0.00 -1.95 0.00 0.00 55.36 54.61 1wcq s GLN 224 Cb -0.16 -3.01 -0.05 0.00 -0.22 0.00 0.00 33.01 29.56 1wcq s GLN 224 CO 0.07 0.41 -0.15 0.71 -0.25 0.00 0.00 175.29 176.08 1wcq s TYR 225 N -1.41 1.76 -0.12 0.91 1.51 0.53 -1.03 117.35 119.50 1wcq s TYR 225 Ca 0.44 -0.55 -0.02 0.00 -1.01 0.00 0.00 57.07 55.94 1wcq s TYR 225 Cb -0.21 -0.81 -0.03 0.00 -0.11 0.00 0.00 41.96 40.80 1wcq s TYR 225 CO 0.26 0.39 -0.06 0.99 -1.11 0.00 0.00 175.55 176.02 1wcq s THR 226 N -2.90 3.73 0.27 -0.71 2.01 -0.33 -0.67 115.64 117.04 1wcq s THR 226 Ca 0.23 -0.43 0.11 0.00 0.31 0.00 0.00 61.69 61.91 1wcq s THR 226 Cb -0.01 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 1wcq s THR 226 CO 0.07 0.54 -0.19 0.27 -0.69 0.00 0.00 174.62 174.63 1wcq s ILE 227 N -0.08 2.34 -0.23 1.82 -5.25 -0.55 -1.37 121.20 117.88 1wcq s ILE 227 Ca 0.01 -2.37 -0.04 0.00 -0.99 0.00 0.00 60.65 57.26 1wcq s ILE 227 Cb -0.13 -2.28 -0.01 0.00 2.95 0.00 0.00 42.46 42.99 1wcq s ILE 227 CO 0.03 -0.42 -0.03 -0.63 -1.79 0.00 0.00 174.94 172.10 1wcq s ILE 228 N -2.59 3.46 0.69 8.37 1.01 -0.84 -1.02 121.20 130.27 1wcq s ILE 228 Ca 0.29 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.34 1wcq s ILE 228 Cb -0.04 -2.60 0.15 0.00 0.01 0.00 0.00 42.46 39.98 1wcq s ILE 228 CO 0.14 0.38 0.93 -0.46 0.00 0.00 0.00 174.94 175.93 1wcq n ASN 229 N 4.81 0.33 0.20 3.58 0.23 -0.64 -1.58 115.26 122.19 1wcq n ASN 229 Ca -0.18 -1.49 0.06 0.00 -0.53 0.00 0.00 54.58 52.44 1wcq n ASN 229 Cb 0.50 -0.69 0.43 0.00 -2.08 0.00 0.00 39.78 37.94 1wcq n ASN 229 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wcq h ALA 230 N -1.51 1.24 0.00 -2.53 0.00 -1.73 -1.43 119.26 113.30 1wcq h ALA 230 Ca -0.30 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1wcq h ALA 230 Cb 0.90 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1wcq h ALA 230 CO 0.24 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1wcq h ALA 231 N 1.68 1.00 0.00 0.00 0.00 -1.94 -3.47 119.26 116.53 1wcq h ALA 231 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wcq h ALA 231 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1wcq h ALA 231 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1wcq n GLY 232 N 0.53 0.58 3.77 0.00 0.00 -0.54 -5.07 105.19 104.46 1wcq n GLY 232 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1wcq n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wcq s ALA 233 N -2.16 2.96 -0.23 4.61 0.00 -1.26 -4.79 121.76 120.89 1wcq s ALA 233 Ca 0.00 1.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.83 1wcq s ALA 233 Cb 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1wcq s ALA 233 CO 0.00 -0.79 0.33 -0.06 0.00 0.00 0.00 175.76 175.24 1wcq s PHE 234 N -1.49 3.32 0.18 0.00 0.40 -1.26 -1.61 117.98 117.52 1wcq s PHE 234 Ca 0.65 0.46 0.09 0.00 -0.60 0.00 0.00 56.93 57.53 1wcq s PHE 234 Cb -0.31 -2.47 -0.04 0.00 0.51 0.00 0.00 43.02 40.70 1wcq s PHE 234 CO 0.38 -0.05 -0.19 -0.65 0.70 0.00 0.00 175.22 175.41 1wcq s GLN 235 N 1.45 1.34 0.13 0.44 -0.21 -0.19 -1.76 119.66 120.87 1wcq s GLN 235 Ca 0.15 -1.47 -0.12 0.00 0.02 0.00 0.00 55.36 53.94 1wcq s GLN 235 Cb -0.15 -1.41 -0.07 0.00 1.00 0.00 0.00 33.01 32.38 1wcq s GLN 235 CO 0.08 0.28 0.50 0.00 -2.12 0.00 0.00 175.29 174.03 1wcq s ALA 236 N -2.11 3.63 -0.11 6.09 0.00 -0.76 -1.49 121.76 127.01 1wcq s ALA 236 Ca 0.18 -0.23 -0.12 0.00 0.00 0.00 0.00 51.96 51.79 1wcq s ALA 236 Cb -0.05 -2.43 0.03 0.00 0.00 0.00 0.00 23.12 20.67 1wcq s ALA 236 CO 0.08 0.50 0.33 0.54 0.00 0.00 0.00 175.76 177.20 1wcq s VAL 237 N -1.48 0.01 -0.07 0.00 0.11 0.15 -0.89 120.40 118.22 1wcq s VAL 237 Ca 0.37 -0.05 -0.25 0.00 -2.93 0.00 0.00 61.98 59.12 1wcq s VAL 237 Cb -0.14 -0.48 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 1wcq s VAL 237 CO 0.19 -0.03 0.76 -0.44 -3.33 0.00 0.00 175.10 172.25 1wcq s SER 238 N 0.01 7.03 -0.13 3.54 0.01 -1.26 -0.35 113.70 122.56 1wcq s SER 238 Ca -0.01 1.25 -0.04 0.00 1.31 0.00 0.00 55.95 58.45 1wcq s SER 238 Cb -0.03 -2.44 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 1wcq s SER 238 CO 0.01 -0.18 0.02 -0.69 0.41 0.00 0.00 173.24 172.81 1wcq s VAL 239 N 1.04 4.48 0.07 3.43 1.01 0.26 -0.34 120.40 130.35 1wcq s VAL 239 Ca 0.40 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 1wcq s VAL 239 Cb -0.18 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1wcq s VAL 239 CO 0.19 0.54 0.15 -0.72 0.00 0.00 0.00 175.10 175.27 1wcq s TYR 240 N -0.30 0.19 -0.07 5.22 -0.85 0.39 -1.19 117.35 120.74 1wcq s TYR 240 Ca 0.07 -0.61 0.02 0.00 -0.52 0.00 0.00 57.07 56.03 1wcq s TYR 240 Cb -0.12 -0.11 0.01 0.00 0.38 0.00 0.00 41.96 42.13 1wcq s TYR 240 CO 0.02 -0.50 -0.12 0.45 -1.52 0.00 0.00 175.55 173.88 1wcq s SER 241 N -2.74 1.89 -0.06 -0.18 0.15 -0.80 -1.45 113.70 110.51 1wcq s SER 241 Ca 0.04 -0.31 0.19 0.00 0.70 0.00 0.00 55.95 56.56 1wcq s SER 241 Cb 0.04 -0.86 0.65 0.00 -1.71 0.00 0.00 66.02 64.14 1wcq s SER 241 CO -0.10 0.02 1.55 0.47 1.20 0.00 0.00 173.24 176.38 1wcq n ASP 242 N 3.94 4.13 -1.89 5.45 8.00 -1.26 -1.86 116.55 133.06 1wcq n ASP 242 Ca -0.22 -2.23 -0.03 0.00 0.71 0.00 0.00 54.79 53.03 1wcq n ASP 242 Cb 0.52 -0.52 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 1wcq n ASP 242 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1wcq n ASP 243 N 1.27 2.14 -3.32 -2.24 5.68 -1.26 -4.96 116.55 113.86 1wcq n ASP 243 Ca 0.24 -2.72 -0.24 0.00 -0.50 0.00 0.00 54.79 51.57 1wcq n ASP 243 Cb 0.72 -0.41 0.05 0.00 -1.14 0.00 0.00 41.12 40.35 1wcq n ASP 243 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1wcq n HIS 244 N -0.41 -2.36 -0.50 2.11 8.25 -1.26 -2.37 115.22 118.67 1wcq n HIS 244 Ca 0.17 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.37 1wcq n HIS 244 Cb 0.91 -4.64 0.00 0.00 1.12 0.00 0.00 29.99 27.38 1wcq n HIS 244 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wcq n GLY 245 N -1.72 0.75 0.05 -1.41 0.00 -1.26 -4.95 105.19 96.65 1wcq n GLY 245 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1wcq n GLY 245 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wcq h ARG 246 N 3.90 -0.01 -5.18 1.61 3.08 -1.89 -3.44 114.38 112.45 1wcq h ARG 246 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.68 1wcq h ARG 246 Cb 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 29.87 1wcq h ARG 246 CO 0.00 -0.01 -0.75 0.95 -1.07 0.00 0.00 179.97 179.09 1wcq s THR 247 N -6.19 1.09 0.05 2.04 -4.23 -1.26 -5.10 115.64 102.04 1wcq s THR 247 Ca -0.13 -1.58 0.05 0.00 -1.18 0.00 0.00 61.69 58.84 1wcq s THR 247 Cb 0.07 -1.34 -0.02 0.00 1.34 0.00 0.00 72.50 72.54 1wcq s THR 247 CO 0.66 -0.44 -0.14 0.26 -0.54 0.00 0.00 174.62 174.43 1wcq s TRP 248 N -2.08 1.19 0.05 3.99 0.52 -1.26 -4.27 118.94 117.07 1wcq s TRP 248 Ca 0.05 -0.38 -0.05 0.00 0.02 0.00 0.00 56.10 55.73 1wcq s TRP 248 Cb -0.05 -0.70 -0.01 0.00 -1.15 0.00 0.00 33.47 31.56 1wcq s TRP 248 CO 0.02 0.04 0.09 -0.98 0.02 0.00 0.00 176.95 176.13 1wcq s ARG 249 N -1.30 0.64 0.09 4.98 1.70 -0.53 -4.53 118.95 120.00 1wcq s ARG 249 Ca 0.00 -0.87 -0.20 0.00 -0.47 0.00 0.00 55.73 54.20 1wcq s ARG 249 Cb -0.08 0.25 -0.07 0.00 -0.57 0.00 0.00 34.95 34.48 1wcq s ARG 249 CO 0.01 -0.16 0.59 0.00 -1.08 0.00 0.00 175.30 174.66 1wcq s ALA 250 N -3.05 3.58 1.00 7.88 0.00 -1.26 -0.46 121.76 129.45 1wcq s ALA 250 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1wcq s ALA 250 Cb 0.01 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1wcq s ALA 250 CO -0.07 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.50 1wcq n GLY 251 N 1.67 0.21 3.77 0.00 0.00 0.54 -4.96 105.19 106.41 1wcq n GLY 251 Ca -0.10 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 1wcq n GLY 251 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wcq s GLU 252 N 0.00 4.34 0.62 1.61 2.02 0.99 -4.88 118.70 123.41 1wcq s GLU 252 Ca 0.00 0.82 -0.17 0.00 0.02 0.00 0.00 54.97 55.64 1wcq s GLU 252 Cb 0.00 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 1wcq s GLU 252 CO 0.00 0.43 1.17 0.00 0.02 0.00 0.00 175.26 176.89 1wcq s ALA 253 N -0.46 2.47 -0.01 5.21 0.00 -1.26 -4.67 121.76 123.05 1wcq s ALA 253 Ca 0.32 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1wcq s ALA 253 Cb -0.19 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1wcq s ALA 253 CO 0.19 -1.26 -0.01 0.54 0.00 0.00 0.00 175.76 175.23 1wcq s VAL 254 N -1.85 0.09 0.00 0.00 0.11 -0.07 -4.91 120.40 113.77 1wcq s VAL 254 Ca 0.74 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.78 1wcq s VAL 254 Cb -0.27 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.48 1wcq s VAL 254 CO 0.36 0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.78 1wcq n GLY 255 N 3.26 -1.08 3.29 6.54 0.00 -1.26 -1.82 105.19 114.12 1wcq n GLY 255 Ca -0.15 -1.64 -0.16 0.00 0.00 0.00 0.00 46.02 44.08 1wcq n GLY 255 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wcq s VAL 256 N -1.65 0.71 -1.23 1.61 -7.23 -1.26 -4.53 120.40 106.81 1wcq s VAL 256 Ca 0.00 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1wcq s VAL 256 Cb 0.00 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.55 1wcq s VAL 256 CO 0.00 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 1wcq n GLY 257 N -0.38 -0.50 3.94 2.32 0.00 -1.21 -4.95 105.19 104.42 1wcq n GLY 257 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1wcq n GLY 257 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wcq s MET 258 N -5.03 1.15 0.00 1.61 1.00 -0.72 -1.15 119.30 116.16 1wcq s MET 258 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 55.69 55.16 1wcq s MET 258 Cb -0.00 -2.01 0.00 0.00 0.00 0.00 0.00 34.83 32.82 1wcq s MET 258 CO 0.00 -1.99 0.00 -3.47 0.00 0.00 0.00 175.02 169.56 1wcq n ASP 259 N -3.42 0.00 -4.64 3.03 -0.08 -1.08 -3.86 116.55 106.50 1wcq n ASP 259 Ca 0.14 0.00 -0.48 0.00 -1.51 0.00 0.00 54.79 52.94 1wcq n ASP 259 Cb 0.60 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.01 1wcq n ASP 259 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wcq n GLU 260 N 0.00 1.83 -3.80 -0.67 1.02 -1.26 -4.61 120.64 113.15 1wcq n GLU 260 Ca 0.00 0.66 -0.12 0.00 -0.02 0.00 0.00 57.16 57.68 1wcq n GLU 260 Cb 0.00 -2.39 -0.08 0.00 -0.02 0.00 0.00 31.44 28.95 1wcq n GLU 260 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wcq s ASN 261 N 0.84 -0.09 0.05 1.62 4.22 -1.26 -0.67 114.94 119.64 1wcq s ASN 261 Ca 0.81 -0.13 0.04 0.00 -2.14 0.00 0.00 52.86 51.44 1wcq s ASN 261 Cb -0.77 0.30 -0.02 0.00 1.28 0.00 0.00 41.25 42.04 1wcq s ASN 261 CO 0.41 -0.50 -0.13 -0.54 -2.04 0.00 0.00 177.10 174.30 1wcq s LYS 262 N -1.91 0.81 0.23 3.55 -0.14 -0.45 -4.67 119.74 117.16 1wcq s LYS 262 Ca -0.10 -0.80 0.11 0.00 -1.36 0.00 0.00 55.97 53.83 1wcq s LYS 262 Cb -0.04 -0.78 -0.05 0.00 -1.68 0.00 0.00 37.83 35.29 1wcq s LYS 262 CO 0.00 0.18 -0.21 0.95 -0.76 0.00 0.00 175.35 175.51 1wcq s THR 263 N -1.04 2.36 -0.13 2.17 -4.23 -1.26 -0.93 115.64 112.58 1wcq s THR 263 Ca -0.01 -2.22 -0.12 0.00 -1.18 0.00 0.00 61.69 58.16 1wcq s THR 263 Cb -0.09 -2.19 0.04 0.00 1.34 0.00 0.00 72.50 71.60 1wcq s THR 263 CO 0.01 -0.28 0.35 0.54 -0.54 0.00 0.00 174.62 174.71 1wcq s VAL 264 N -2.14 -0.00 -0.14 2.29 0.11 -0.74 -4.82 120.40 114.96 1wcq s VAL 264 Ca 0.25 0.01 -0.22 0.00 -2.93 0.00 0.00 61.98 59.09 1wcq s VAL 264 Cb -0.06 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 1wcq s VAL 264 CO 0.12 0.00 0.67 -0.70 -3.33 0.00 0.00 175.10 171.86 1wcq s GLU 265 N 0.30 4.31 0.85 1.54 2.12 -1.26 -0.75 118.70 125.81 1wcq s GLU 265 Ca -0.01 0.74 -0.10 0.00 0.36 0.00 0.00 54.97 55.96 1wcq s GLU 265 Cb -0.03 -3.52 0.15 0.00 0.26 0.00 0.00 34.13 30.99 1wcq s GLU 265 CO -0.01 -0.11 1.18 -0.51 -0.54 0.00 0.00 175.26 175.27 1wcq s LEU 266 N 1.46 2.78 0.52 2.70 1.43 0.87 -4.89 118.68 123.54 1wcq s LEU 266 Ca 0.33 0.18 0.21 0.00 -1.03 0.00 0.00 54.13 53.82 1wcq s LEU 266 Cb -0.16 -2.43 1.37 0.00 0.03 0.00 0.00 46.19 44.99 1wcq s LEU 266 CO 0.13 -2.27 2.12 0.77 0.23 0.00 0.00 176.35 177.33 1wcq h SER 267 N -1.16 0.00 -0.72 2.29 4.64 -1.88 -0.46 113.55 116.27 1wcq h SER 267 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1wcq h SER 267 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1wcq h SER 267 CO 0.44 0.07 0.00 -0.90 -0.87 0.00 0.00 176.83 175.57 1wcq n ASP 268 N -4.16 3.93 0.00 4.97 5.75 -1.26 0.05 116.55 125.83 1wcq n ASP 268 Ca -0.03 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 1wcq n ASP 268 Cb 0.15 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 1wcq n ASP 268 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wcq n GLY 269 N 1.64 1.32 3.74 6.12 0.00 -0.18 -5.01 105.19 112.81 1wcq n GLY 269 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 1wcq n GLY 269 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wcq s ARG 270 N -0.36 2.64 -0.22 1.61 0.52 -1.26 -4.68 118.95 117.20 1wcq s ARG 270 Ca 0.00 2.03 -0.07 0.00 -0.52 0.00 0.00 55.73 57.17 1wcq s ARG 270 Cb 0.00 -1.87 -0.03 0.00 0.52 0.00 0.00 34.95 33.57 1wcq s ARG 270 CO 0.00 -1.52 0.05 0.08 0.02 0.00 0.00 175.30 173.94 1wcq s VAL 271 N -1.42 4.37 -0.17 3.52 1.01 -0.41 -0.09 120.40 127.21 1wcq s VAL 271 Ca 0.81 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.50 1wcq s VAL 271 Cb -0.36 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1wcq s VAL 271 CO 0.39 0.39 0.24 -0.22 0.00 0.00 0.00 175.10 175.90 1wcq s LEU 272 N 1.15 4.24 -0.14 3.92 2.96 0.07 -0.73 118.68 130.16 1wcq s LEU 272 Ca 0.04 0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 54.34 1wcq s LEU 272 Cb -0.14 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 1wcq s LEU 272 CO 0.03 0.13 0.01 -0.22 -1.32 0.00 0.00 176.35 174.97 1wcq s LEU 273 N 0.41 3.54 -0.20 -0.68 0.20 0.66 -1.79 118.68 120.81 1wcq s LEU 273 Ca 0.14 0.03 0.00 0.00 0.69 0.00 0.00 54.13 54.99 1wcq s LEU 273 Cb -0.12 -1.85 0.05 0.00 -0.43 0.00 0.00 46.19 43.84 1wcq s LEU 273 CO 0.02 0.25 -0.06 0.21 -0.29 0.00 0.00 176.35 176.48 1wcq s ASN 274 N -0.10 3.36 0.07 3.68 3.84 -0.11 -1.95 114.94 123.72 1wcq s ASN 274 Ca 0.04 -0.92 0.07 0.00 0.21 0.00 0.00 52.86 52.26 1wcq s ASN 274 Cb -0.13 -1.07 -0.04 0.00 -0.55 0.00 0.00 41.25 39.47 1wcq s ASN 274 CO 0.02 -0.20 -0.16 -0.55 -2.79 0.00 0.00 177.10 173.41 1wcq s SER 275 N 1.50 3.96 0.36 -4.21 0.15 0.13 -1.34 113.70 114.25 1wcq s SER 275 Ca -0.02 -0.43 -0.28 0.00 0.70 0.00 0.00 55.95 55.91 1wcq s SER 275 Cb -0.17 -0.66 -0.11 0.00 -1.71 0.00 0.00 66.02 63.38 1wcq s SER 275 CO -0.07 0.23 1.41 -0.60 1.20 0.00 0.00 173.24 175.40 1wcq s ARG 276 N -1.72 4.20 -0.46 5.44 3.52 0.15 -0.70 118.95 129.39 1wcq s ARG 276 Ca 0.16 2.42 -0.13 0.00 -0.13 0.00 0.00 55.73 58.05 1wcq s ARG 276 Cb -0.11 -3.00 0.08 0.00 -1.56 0.00 0.00 34.95 30.37 1wcq s ARG 276 CO 0.08 -0.40 0.35 0.34 -0.81 0.00 0.00 175.30 174.86 1wcq s ASP 277 N -0.30 5.93 0.14 -2.12 2.15 -1.26 -2.64 116.67 118.57 1wcq s ASP 277 Ca 0.51 -1.46 0.20 0.00 0.43 0.00 0.00 52.55 52.24 1wcq s ASP 277 Cb -0.44 -2.10 0.84 0.00 -0.30 0.00 0.00 42.92 40.92 1wcq s ASP 277 CO 0.59 -0.62 1.62 -1.54 -0.17 0.00 0.00 175.17 175.04 1wcq n SER 278 N 5.08 0.38 -0.23 -0.34 3.41 -0.30 -1.63 113.62 119.99 1wcq n SER 278 Ca -0.11 0.59 0.15 0.00 -0.26 0.00 0.00 58.87 59.23 1wcq n SER 278 Cb 0.43 -0.67 0.72 0.00 -0.26 0.00 0.00 64.21 64.43 1wcq n SER 278 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wcq n ALA 279 N -1.65 2.65 -3.30 7.33 0.00 -1.23 -5.00 120.51 119.29 1wcq n ALA 279 Ca 0.03 -0.32 -0.17 0.00 0.00 0.00 0.00 53.44 52.98 1wcq n ALA 279 Cb 0.22 -1.34 0.07 0.00 0.00 0.00 0.00 19.45 18.40 1wcq n ALA 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wcq n ARG 280 N -0.45 -6.10 0.29 0.00 1.74 -0.65 -4.91 116.66 106.57 1wcq n ARG 280 Ca 0.21 0.71 0.18 0.00 -0.77 0.00 0.00 57.85 58.17 1wcq n ARG 280 Cb 0.24 -5.35 0.82 0.00 -1.02 0.00 0.00 32.46 27.15 1wcq n ARG 280 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1wcq h SER 281 N -1.91 0.00 0.00 0.55 4.64 -1.92 -3.43 113.55 111.49 1wcq h SER 281 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1wcq h SER 281 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1wcq h SER 281 CO 0.44 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 177.05 1wcq n GLY 282 N -0.38 0.47 3.27 -0.77 0.00 -1.25 -4.80 105.19 101.72 1wcq n GLY 282 Ca -0.01 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 1wcq n GLY 282 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wcq s TYR 283 N -2.00 0.68 0.41 1.61 2.02 -1.23 -1.42 117.35 117.41 1wcq s TYR 283 Ca 0.00 -1.02 -0.23 0.00 -0.37 0.00 0.00 57.07 55.45 1wcq s TYR 283 Cb 0.00 -0.26 -0.09 0.00 -0.40 0.00 0.00 41.96 41.21 1wcq s TYR 283 CO 0.00 -0.66 1.01 1.03 -1.57 0.00 0.00 175.55 175.36 1wcq s ARG 284 N -4.03 4.19 0.03 -0.62 1.81 -0.78 -4.32 118.95 115.22 1wcq s ARG 284 Ca 0.24 1.39 -0.02 0.00 -1.72 0.00 0.00 55.73 55.61 1wcq s ARG 284 Cb 0.05 -2.45 -0.04 0.00 -0.45 0.00 0.00 34.95 32.06 1wcq s ARG 284 CO 0.03 -0.10 0.22 0.15 -0.68 0.00 0.00 175.30 174.92 1wcq s LYS 285 N -2.66 3.47 0.03 3.54 1.02 0.12 -0.62 119.74 124.65 1wcq s LYS 285 Ca 0.59 -0.31 0.01 0.00 0.02 0.00 0.00 55.97 56.27 1wcq s LYS 285 Cb -0.18 -3.06 -0.02 0.00 -0.52 0.00 0.00 37.83 34.05 1wcq s LYS 285 CO 0.23 0.63 -0.05 0.14 -0.92 0.00 0.00 175.35 175.39 1wcq s VAL 286 N -1.41 0.28 0.10 3.17 -7.23 0.13 0.17 120.40 115.61 1wcq s VAL 286 Ca 0.31 -1.08 -0.18 0.00 -1.81 0.00 0.00 61.98 59.22 1wcq s VAL 286 Cb -0.13 -0.53 0.04 0.00 0.56 0.00 0.00 36.38 36.32 1wcq s VAL 286 CO 0.22 -0.52 0.44 0.00 -0.31 0.00 0.00 175.10 174.94 1wcq s ALA 287 N -1.71 -1.08 0.06 1.32 0.00 -0.82 -1.02 121.76 118.50 1wcq s ALA 287 Ca -0.11 0.17 0.05 0.00 0.00 0.00 0.00 51.96 52.07 1wcq s ALA 287 Cb -0.08 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.62 1wcq s ALA 287 CO -0.01 -0.60 -0.14 0.54 0.00 0.00 0.00 175.76 175.54 1wcq s VAL 288 N -3.34 1.12 -0.12 0.00 0.11 -1.26 -0.25 120.40 116.66 1wcq s VAL 288 Ca -0.00 -1.15 0.01 0.00 -2.93 0.00 0.00 61.98 57.91 1wcq s VAL 288 Cb 0.01 -1.05 -0.01 0.00 -1.53 0.00 0.00 36.38 33.80 1wcq s VAL 288 CO -0.09 -0.11 -0.16 -0.55 -3.33 0.00 0.00 175.10 170.86 1wcq s SER 289 N -1.44 3.72 0.00 3.54 0.15 0.10 -0.20 113.70 119.57 1wcq s SER 289 Ca -0.00 -0.40 0.22 0.00 0.70 0.00 0.00 55.95 56.46 1wcq s SER 289 Cb -0.09 -1.55 0.52 0.00 -1.71 0.00 0.00 66.02 63.19 1wcq s SER 289 CO 0.02 0.16 1.45 0.35 1.20 0.00 0.00 173.24 176.41 1wcq n THR 290 N 3.54 0.55 -2.10 6.45 -2.24 -1.26 -1.28 114.28 117.93 1wcq n THR 290 Ca -0.18 -0.70 -0.12 0.00 -2.27 0.00 0.00 64.05 60.78 1wcq n THR 290 Cb 0.53 0.70 0.06 0.00 -2.10 0.00 0.00 70.33 69.52 1wcq n THR 290 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1wcq n ASP 291 N 1.23 3.47 -1.40 3.42 5.68 -1.26 -4.95 116.55 122.74 1wcq n ASP 291 Ca 0.19 -3.38 -0.13 0.00 -0.50 0.00 0.00 54.79 50.97 1wcq n ASP 291 Cb 0.53 -0.40 -0.02 0.00 -1.14 0.00 0.00 41.12 40.09 1wcq n ASP 291 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wcq n GLY 292 N -0.70 0.23 1.83 6.12 0.00 -1.26 -3.40 105.19 108.01 1wcq n GLY 292 Ca 0.30 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1wcq n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wcq n GLY 293 N -1.10 0.78 0.21 -0.02 0.00 -1.26 -4.96 105.19 98.85 1wcq n GLY 293 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 1wcq n GLY 293 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1wcq h HIS 294 N 0.00 0.69 -4.27 1.61 -0.00 -1.93 -3.41 115.15 107.84 1wcq h HIS 294 Ca 0.00 -0.07 -0.13 0.00 -0.00 0.00 0.00 60.37 60.17 1wcq h HIS 294 Cb 0.00 -0.20 -0.15 0.00 -0.00 0.00 0.00 27.41 27.06 1wcq h HIS 294 CO 0.00 0.62 -0.67 -1.54 -0.00 0.00 0.00 177.93 176.34 1wcq s SER 295 N -5.97 0.46 0.10 3.26 1.04 -1.26 -0.00 113.70 111.33 1wcq s SER 295 Ca -0.13 -1.04 0.08 0.00 0.48 0.00 0.00 55.95 55.34 1wcq s SER 295 Cb 0.11 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 1wcq s SER 295 CO 0.77 -0.62 -0.20 -0.31 0.98 0.00 0.00 173.24 173.86 1wcq s TYR 296 N -3.94 1.69 0.00 5.02 2.02 -1.26 -4.28 117.35 116.60 1wcq s TYR 296 Ca 0.10 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.37 1wcq s TYR 296 Cb 0.08 -0.93 0.00 0.00 -0.40 0.00 0.00 41.96 40.71 1wcq s TYR 296 CO -0.08 0.18 0.00 0.41 -1.57 0.00 0.00 175.55 174.50 1wcq n GLY 297 N 1.09 -1.34 3.75 0.71 0.00 0.72 -4.95 105.19 105.17 1wcq n GLY 297 Ca -0.20 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 1wcq n GLY 297 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1wcq s PRO 298 N -0.15 3.22 -0.01 1.61 0.02 -1.26 -4.67 135.00 133.75 1wcq s PRO 298 Ca 0.00 2.16 -0.21 0.00 0.02 0.00 0.00 61.00 62.97 1wcq s PRO 298 Cb 0.00 -2.27 -0.05 0.00 0.02 0.00 0.00 34.50 32.20 1wcq s PRO 298 CO 0.00 -1.10 0.62 0.08 -0.33 0.00 0.00 177.00 176.27 1wcq s VAL 299 N -1.34 4.92 0.22 3.83 1.01 -1.26 -4.48 120.40 123.30 1wcq s VAL 299 Ca 0.71 1.30 0.02 0.00 0.00 0.00 0.00 61.98 64.00 1wcq s VAL 299 Cb -0.39 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 1wcq s VAL 299 CO 0.46 0.39 0.03 0.42 0.00 0.00 0.00 175.10 176.39 1wcq s THR 300 N -0.01 0.77 -0.04 3.92 -4.23 -0.19 -4.93 115.64 110.93 1wcq s THR 300 Ca 0.32 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.56 1wcq s THR 300 Cb -0.18 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1wcq s THR 300 CO 0.18 -0.27 0.86 -0.63 -0.54 0.00 0.00 174.62 174.22 1wcq s ILE 301 N -3.60 4.94 -0.68 2.99 1.09 -1.26 -0.70 121.20 123.99 1wcq s ILE 301 Ca 0.30 1.78 -0.17 0.00 -1.10 0.00 0.00 60.65 61.46 1wcq s ILE 301 Cb 0.07 -4.19 0.14 0.00 -1.06 0.00 0.00 42.46 37.41 1wcq s ILE 301 CO 0.09 0.19 0.72 -0.62 -0.10 0.00 0.00 174.94 175.22 1wcq s ASP 302 N 0.93 6.37 0.00 3.58 -1.08 0.21 -4.92 116.67 121.76 1wcq s ASP 302 Ca 0.45 -1.88 0.18 0.00 -0.52 0.00 0.00 52.55 50.78 1wcq s ASP 302 Cb -0.19 -2.27 0.82 0.00 -1.46 0.00 0.00 42.92 39.81 1wcq s ASP 302 CO 0.23 -0.93 1.55 0.54 0.52 0.00 0.00 175.17 177.08 1wcq n ARG 303 N 5.57 0.12 0.02 4.34 1.74 -1.26 -1.51 116.66 125.69 1wcq n ARG 303 Ca -0.01 0.16 0.13 0.00 -0.77 0.00 0.00 57.85 57.36 1wcq n ARG 303 Cb 0.44 -1.50 0.55 0.00 -1.02 0.00 0.00 32.46 30.93 1wcq n ARG 303 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1wcq n ASP 304 N -1.40 0.17 -3.86 0.55 8.00 -1.26 -4.52 116.55 114.24 1wcq n ASP 304 Ca 0.06 0.52 -0.29 0.00 0.71 0.00 0.00 54.79 55.79 1wcq n ASP 304 Cb 0.17 -0.56 -0.13 0.00 -0.02 0.00 0.00 41.12 40.58 1wcq n ASP 304 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wcq s LEU 305 N -3.32 4.15 0.58 0.64 1.43 -0.57 -5.00 118.68 116.59 1wcq s LEU 305 Ca 0.13 -3.38 -0.19 0.00 -1.03 0.00 0.00 54.13 49.66 1wcq s LEU 305 Cb 0.17 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 1wcq s LEU 305 CO 0.52 -0.16 1.16 -2.16 0.23 0.00 0.00 176.35 175.95 1wcq s PRO 306 N -0.76 3.11 -0.21 1.29 0.04 -1.26 -1.87 135.00 135.34 1wcq s PRO 306 Ca 0.22 1.69 -0.19 0.00 0.04 0.00 0.00 61.00 62.76 1wcq s PRO 306 Cb -0.13 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.50 1wcq s PRO 306 CO -0.10 -1.06 0.55 0.34 0.04 0.00 0.00 177.00 176.77 1wcq s ASP 307 N -1.77 -0.58 -0.15 6.66 2.15 -0.51 -4.44 116.67 118.03 1wcq s ASP 307 Ca 0.74 1.11 0.08 0.00 0.43 0.00 0.00 52.55 54.91 1wcq s ASP 307 Cb -0.27 1.12 0.49 0.00 -0.30 0.00 0.00 42.92 43.96 1wcq s ASP 307 CO 0.31 -0.19 1.28 -0.81 -0.17 0.00 0.00 175.17 175.59 1wcq n PRO 308 N 2.87 3.23 -1.77 4.34 -0.04 -1.04 -3.48 135.00 139.11 1wcq n PRO 308 Ca -0.14 -1.89 -0.01 0.00 -0.04 0.00 0.00 63.50 61.41 1wcq n PRO 308 Cb 0.56 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 1wcq n PRO 308 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1wcq n THR 309 N 0.31 -3.61 -3.64 0.52 -1.04 -1.26 -4.89 114.28 100.67 1wcq n THR 309 Ca 0.18 0.14 -0.10 0.00 -2.04 0.00 0.00 64.05 62.23 1wcq n THR 309 Cb 0.86 -4.57 -0.03 0.00 -1.82 0.00 0.00 70.33 64.77 1wcq n THR 309 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1wcq s ASN 310 N -1.44 -0.36 0.89 8.00 2.47 -1.26 -5.02 114.94 118.21 1wcq s ASN 310 Ca 0.04 -0.33 -0.14 0.00 0.42 0.00 0.00 52.86 52.86 1wcq s ASN 310 Cb -0.01 0.60 0.13 0.00 -1.45 0.00 0.00 41.25 40.53 1wcq s ASN 310 CO 0.15 -1.06 1.21 0.21 -3.72 0.00 0.00 177.10 173.88 1wcq s ASN 311 N -2.83 3.75 0.23 -4.21 3.84 -1.26 -4.59 114.94 109.87 1wcq s ASN 311 Ca 0.06 0.67 -0.20 0.00 0.21 0.00 0.00 52.86 53.59 1wcq s ASN 311 Cb -0.02 -1.04 0.07 0.00 -0.55 0.00 0.00 41.25 39.72 1wcq s ASN 311 CO -0.05 -2.37 0.98 0.00 -2.79 0.00 0.00 177.10 172.86 1wcq s ALA 312 N -3.58 -1.39 0.02 1.71 0.00 -1.26 -4.62 121.76 112.64 1wcq s ALA 312 Ca 0.66 -0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.05 1wcq s ALA 312 Cb -0.10 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.78 1wcq s ALA 312 CO 0.51 -1.05 0.26 -1.54 0.00 0.00 0.00 175.76 173.95 1wcq s SER 313 N -3.33 -0.10 -0.07 0.00 1.04 -0.60 -4.88 113.70 105.76 1wcq s SER 313 Ca 0.20 -0.13 -0.03 0.00 0.48 0.00 0.00 55.95 56.48 1wcq s SER 313 Cb -0.03 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.43 1wcq s SER 313 CO 0.07 -0.51 0.14 -0.51 0.98 0.00 0.00 173.24 173.40 1wcq s ILE 314 N -1.95 -0.12 0.09 -1.02 2.07 -1.26 -1.38 121.20 117.63 1wcq s ILE 314 Ca -0.09 0.25 -0.02 0.00 -1.41 0.00 0.00 60.65 59.37 1wcq s ILE 314 Cb -0.03 -0.24 -0.03 0.00 0.13 0.00 0.00 42.46 42.28 1wcq s ILE 314 CO 0.00 0.10 0.04 0.27 -1.91 0.00 0.00 174.94 173.44 1wcq s ILE 315 N 1.54 0.16 0.11 2.00 -4.36 -0.06 -4.75 121.20 115.83 1wcq s ILE 315 Ca -0.05 -1.76 -0.31 0.00 -0.26 0.00 0.00 60.65 58.27 1wcq s ILE 315 Cb -0.12 -1.72 -0.07 0.00 1.25 0.00 0.00 42.46 41.80 1wcq s ILE 315 CO -0.06 -0.73 1.24 -0.13 0.24 0.00 0.00 174.94 175.51 1wcq s ARG 316 N -3.97 4.42 0.28 0.37 1.81 -1.26 -0.46 118.95 120.15 1wcq s ARG 316 Ca 0.14 1.88 0.08 0.00 -1.72 0.00 0.00 55.73 56.10 1wcq s ARG 316 Cb 0.07 -3.29 0.38 0.00 -0.45 0.00 0.00 34.95 31.66 1wcq s ARG 316 CO -0.05 -0.25 1.64 0.00 -0.68 0.00 0.00 175.30 175.96 1wcq h ALA 317 N 6.30 1.01 -2.75 2.13 0.00 -1.45 -3.37 119.26 121.12 1wcq h ALA 317 Ca -0.43 -0.50 -0.61 0.00 0.00 0.00 0.00 54.91 53.37 1wcq h ALA 317 Cb 1.21 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.51 1wcq h ALA 317 CO 0.80 0.69 -0.73 1.19 0.00 0.00 0.00 179.25 181.20 1wcq n PHE 318 N -3.90 1.71 0.31 0.00 3.72 -1.26 -4.98 117.46 113.06 1wcq n PHE 318 Ca -0.02 -3.93 0.17 0.00 -0.05 0.00 0.00 57.45 53.62 1wcq n PHE 318 Cb 0.57 -0.30 0.72 0.00 -0.94 0.00 0.00 39.48 39.52 1wcq n PHE 318 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1wcq h PRO 319 N 5.35 0.00 -0.02 -1.08 0.13 -1.94 -1.96 132.00 132.49 1wcq h PRO 319 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1wcq h PRO 319 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1wcq h PRO 319 CO 0.60 0.00 -0.18 -0.25 -0.23 0.00 0.00 178.00 177.94 1wcq n ASP 320 N -2.85 1.87 -4.76 1.44 8.00 -1.26 -4.98 116.55 114.02 1wcq n ASP 320 Ca 0.00 -1.47 -0.39 0.00 0.71 0.00 0.00 54.79 53.64 1wcq n ASP 320 Cb 0.24 0.15 0.01 0.00 -0.02 0.00 0.00 41.12 41.49 1wcq n ASP 320 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wcq s ALA 321 N -2.24 3.09 0.58 2.24 0.00 -0.74 -4.97 121.76 119.72 1wcq s ALA 321 Ca 0.28 1.27 -0.20 0.00 0.00 0.00 0.00 51.96 53.31 1wcq s ALA 321 Cb 0.20 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1wcq s ALA 321 CO 0.43 -1.04 1.26 -2.14 0.00 0.00 0.00 175.76 174.27 1wcq s PRO 322 N -2.54 3.02 0.31 0.00 0.02 -1.26 -4.80 135.00 129.75 1wcq s PRO 322 Ca 0.63 1.97 -0.28 0.00 0.02 0.00 0.00 61.00 63.34 1wcq s PRO 322 Cb -0.39 -2.05 -0.13 0.00 0.02 0.00 0.00 34.50 31.95 1wcq s PRO 322 CO 0.48 -1.20 1.15 0.00 -0.33 0.00 0.00 177.00 177.09 1wcq n ALA 323 N -1.38 0.47 -0.83 -1.55 0.00 -1.26 -2.11 120.51 113.84 1wcq n ALA 323 Ca 0.13 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1wcq n ALA 323 Cb 0.48 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1wcq n ALA 323 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wcq n GLY 324 N 1.06 0.60 3.88 0.00 0.00 0.11 -5.01 105.19 105.83 1wcq n GLY 324 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1wcq n GLY 324 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wcq s SER 325 N -2.56 6.21 0.21 1.61 1.04 -0.90 -4.98 113.70 114.34 1wcq s SER 325 Ca 0.00 1.27 -0.09 0.00 0.48 0.00 0.00 55.95 57.61 1wcq s SER 325 Cb 0.00 -2.39 0.29 0.00 0.10 0.00 0.00 66.02 64.02 1wcq s SER 325 CO 0.00 -0.80 1.74 0.00 0.98 0.00 0.00 173.24 175.16 1wcq h ALA 326 N -0.18 0.79 -0.24 5.32 0.00 -1.95 -2.94 119.26 120.06 1wcq h ALA 326 Ca -0.45 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 1wcq h ALA 326 Cb 1.20 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1wcq h ALA 326 CO 0.62 -0.21 -0.34 0.00 0.00 0.00 0.00 179.25 179.32 1wcq h ARG 327 N 0.39 0.51 0.00 0.00 3.08 -1.93 -2.54 114.38 113.88 1wcq h ARG 327 Ca 0.31 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1wcq h ARG 327 Cb 0.40 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1wcq h ARG 327 CO -0.32 0.78 0.00 0.00 -1.07 0.00 0.00 179.97 179.36 1wcq h ALA 328 N 1.20 1.00 -0.00 0.04 0.00 -1.76 -2.40 119.26 117.34 1wcq h ALA 328 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wcq h ALA 328 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1wcq h ALA 328 CO 0.07 0.00 -0.19 1.63 0.00 0.00 0.00 179.25 180.75 1wcq n LYS 329 N -2.72 0.45 -3.12 0.00 5.02 -0.96 -3.48 118.16 113.37 1wcq n LYS 329 Ca -0.02 -0.18 -0.40 0.00 -2.02 0.00 0.00 58.31 55.69 1wcq n LYS 329 Cb 0.09 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 1wcq n LYS 329 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wcq s VAL 330 N -2.67 5.03 0.13 -0.18 1.01 -0.90 -0.88 120.40 121.93 1wcq s VAL 330 Ca 0.22 1.21 0.10 0.00 0.00 0.00 0.00 61.98 63.52 1wcq s VAL 330 Cb 0.19 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1wcq s VAL 330 CO 0.54 0.14 -0.22 -0.76 0.00 0.00 0.00 175.10 174.79 1wcq s LEU 331 N 1.71 2.52 0.02 3.92 1.43 -0.29 -1.17 118.68 126.82 1wcq s LEU 331 Ca 0.30 -0.67 0.09 0.00 -1.03 0.00 0.00 54.13 52.81 1wcq s LEU 331 Cb -0.16 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 1wcq s LEU 331 CO 0.11 0.17 -0.26 -0.76 0.23 0.00 0.00 176.35 175.85 1wcq s LEU 332 N -2.17 2.12 -0.03 1.79 1.43 0.40 -1.31 118.68 120.90 1wcq s LEU 332 Ca 0.17 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1wcq s LEU 332 Cb -0.10 -1.28 0.01 0.00 0.03 0.00 0.00 46.19 44.85 1wcq s LEU 332 CO 0.08 0.27 -0.07 0.12 0.23 0.00 0.00 176.35 176.98 1wcq s PHE 333 N -0.73 0.86 -0.05 0.29 5.36 -0.18 -0.89 117.98 122.65 1wcq s PHE 333 Ca 0.11 -0.22 0.06 0.00 -0.96 0.00 0.00 56.93 55.91 1wcq s PHE 333 Cb -0.10 -0.65 -0.02 0.00 -0.34 0.00 0.00 43.02 41.92 1wcq s PHE 333 CO 0.01 -0.12 -0.22 -1.54 -1.46 0.00 0.00 175.22 171.88 1wcq s SER 334 N 0.38 3.31 0.29 6.13 1.04 -0.48 -0.44 113.70 123.93 1wcq s SER 334 Ca -0.06 -0.43 -0.17 0.00 0.48 0.00 0.00 55.95 55.78 1wcq s SER 334 Cb -0.10 -0.76 0.06 0.00 0.10 0.00 0.00 66.02 65.32 1wcq s SER 334 CO 0.00 0.28 0.85 -0.46 0.98 0.00 0.00 173.24 174.89 1wcq n ASN 335 N 2.73 -1.97 -4.58 7.02 6.94 -1.12 -1.56 115.26 122.71 1wcq n ASN 335 Ca -0.17 -2.25 -0.42 0.00 -0.02 0.00 0.00 54.58 51.72 1wcq n ASN 335 Cb 0.52 3.26 -0.05 0.00 -2.36 0.00 0.00 39.78 41.15 1wcq n ASN 335 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wcq s ALA 336 N -2.01 3.41 -0.61 -2.53 0.00 -1.26 -1.61 121.76 117.14 1wcq s ALA 336 Ca 0.18 -0.65 0.25 0.00 0.00 0.00 0.00 51.96 51.74 1wcq s ALA 336 Cb -0.04 -3.41 0.64 0.00 0.00 0.00 0.00 23.12 20.32 1wcq s ALA 336 CO 0.09 -1.55 1.72 0.00 0.00 0.00 0.00 175.76 176.01 1wcq h ALA 337 N 8.53 1.00 -2.86 0.00 0.00 -1.37 -3.34 119.26 121.21 1wcq h ALA 337 Ca -0.24 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.14 1wcq h ALA 337 Cb 1.09 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.96 1wcq h ALA 337 CO 0.93 0.00 0.61 0.45 0.00 0.00 0.00 179.25 181.24 1wcq s SER 338 N -5.17 6.40 0.02 0.00 0.15 -1.21 -4.46 113.70 109.44 1wcq s SER 338 Ca 0.09 2.64 0.25 0.00 0.70 0.00 0.00 55.95 59.62 1wcq s SER 338 Cb 0.10 -2.64 0.43 0.00 -1.71 0.00 0.00 66.02 62.19 1wcq s SER 338 CO 0.62 -0.78 1.36 0.00 1.20 0.00 0.00 173.24 175.63 1wcq n GLN 339 N 0.24 0.07 -0.06 5.44 6.02 -1.26 -2.50 117.38 125.32 1wcq n GLN 339 Ca 0.03 0.01 -0.07 0.00 -0.01 0.00 0.00 57.00 56.97 1wcq n GLN 339 Cb 0.43 -1.53 -0.10 0.00 1.02 0.00 0.00 30.24 30.06 1wcq n GLN 339 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1wcq n THR 340 N -1.63 0.89 -3.91 5.09 -2.24 -1.26 -4.44 114.28 106.77 1wcq n THR 340 Ca 0.05 -0.54 -0.09 0.00 -2.27 0.00 0.00 64.05 61.20 1wcq n THR 340 Cb 0.36 -0.67 -0.07 0.00 -2.10 0.00 0.00 70.33 67.85 1wcq n THR 340 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wcq s SER 341 N -4.62 0.04 -1.29 3.42 1.04 -1.26 -5.05 113.70 105.97 1wcq s SER 341 Ca -0.07 -0.77 -0.18 0.00 0.48 0.00 0.00 55.95 55.40 1wcq s SER 341 Cb 0.04 0.42 0.06 0.00 0.10 0.00 0.00 66.02 66.63 1wcq s SER 341 CO 0.52 -0.86 1.76 0.54 0.98 0.00 0.00 173.24 176.19 1wcq n ARG 342 N -0.18 3.05 -3.82 4.02 1.74 -1.26 -4.42 116.66 115.78 1wcq n ARG 342 Ca -0.10 -3.20 -0.10 0.00 -0.77 0.00 0.00 57.85 53.68 1wcq n ARG 342 Cb 0.63 -3.52 0.02 0.00 -1.02 0.00 0.00 32.46 28.57 1wcq n ARG 342 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1wcq n SER 343 N 8.92 -2.10 -3.16 0.55 3.41 -1.23 -1.24 113.62 118.77 1wcq n SER 343 Ca 0.49 -2.67 -0.15 0.00 -0.26 0.00 0.00 58.87 56.28 1wcq n SER 343 Cb 0.46 3.56 0.08 0.00 -0.26 0.00 0.00 64.21 68.05 1wcq n SER 343 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wcq n GLN 344 N -0.55 -4.85 -1.68 4.33 6.02 -1.05 -3.25 117.38 116.36 1wcq n GLN 344 Ca -0.07 0.77 -0.46 0.00 -0.01 0.00 0.00 57.00 57.24 1wcq n GLN 344 Cb 0.59 -5.50 -0.04 0.00 1.02 0.00 0.00 30.24 26.31 1wcq n GLN 344 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wcq n GLY 345 N -1.16 1.25 2.99 1.08 0.00 0.19 -1.98 105.19 107.56 1wcq n GLY 345 Ca -0.20 0.69 -0.18 0.00 0.00 0.00 0.00 46.02 46.32 1wcq n GLY 345 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wcq s THR 346 N 1.59 0.63 -0.17 2.61 2.01 -0.64 -0.59 115.64 121.09 1wcq s THR 346 Ca 0.81 -0.31 -0.14 0.00 0.31 0.00 0.00 61.69 62.37 1wcq s THR 346 Cb -0.65 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.26 1wcq s THR 346 CO 0.40 0.19 0.28 -0.63 -0.69 0.00 0.00 174.62 174.17 1wcq s ILE 347 N 0.03 5.31 0.06 1.82 -1.09 0.04 -2.78 121.20 124.60 1wcq s ILE 347 Ca -0.00 0.52 0.05 0.00 -2.23 0.00 0.00 60.65 58.99 1wcq s ILE 347 Cb -0.06 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1wcq s ILE 347 CO -0.00 0.39 -0.07 -0.13 -1.23 0.00 0.00 174.94 173.89 1wcq s ARG 348 N 0.51 2.38 -0.02 2.79 0.52 0.41 -0.73 118.95 124.82 1wcq s ARG 348 Ca 0.16 -0.86 0.06 0.00 -0.52 0.00 0.00 55.73 54.56 1wcq s ARG 348 Cb -0.13 -2.42 -0.01 0.00 0.52 0.00 0.00 34.95 32.90 1wcq s ARG 348 CO 0.03 0.55 -0.20 1.41 0.02 0.00 0.00 175.30 177.12 1wcq s MET 349 N -1.86 1.61 -0.01 3.54 -2.45 -0.14 -1.01 119.30 118.98 1wcq s MET 349 Ca 0.20 -0.70 0.07 0.00 -1.25 0.00 0.00 55.69 54.01 1wcq s MET 349 Cb -0.11 -1.54 -0.03 0.00 1.25 0.00 0.00 34.83 34.40 1wcq s MET 349 CO 0.12 0.41 -0.21 0.45 1.05 0.00 0.00 175.02 176.84 1wcq s SER 350 N -0.43 3.55 -0.03 1.11 0.15 -0.43 -2.99 113.70 114.62 1wcq s SER 350 Ca 0.07 -0.39 0.11 0.00 0.70 0.00 0.00 55.95 56.44 1wcq s SER 350 Cb -0.08 -0.56 0.31 0.00 -1.71 0.00 0.00 66.02 63.99 1wcq s SER 350 CO -0.01 0.31 1.26 0.00 1.20 0.00 0.00 173.24 176.00 1wcq n ASP 352 N 0.20 1.23 -1.36 0.00 5.68 -1.20 -4.61 116.55 116.50 1wcq n ASP 352 Ca 0.12 -2.68 -0.15 0.00 -0.50 0.00 0.00 54.79 51.58 1wcq n ASP 352 Cb 0.49 -0.43 -0.04 0.00 -1.14 0.00 0.00 41.12 40.00 1wcq n ASP 352 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1wcq n ASP 353 N -0.10 -4.66 0.00 -1.12 8.00 -0.06 -2.04 116.55 116.57 1wcq n ASP 353 Ca 0.08 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1wcq n ASP 353 Cb 0.82 -3.60 0.00 0.00 -0.02 0.00 0.00 41.12 38.32 1wcq n ASP 353 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wcq n GLY 354 N -1.10 0.66 0.12 0.44 0.00 -1.26 -4.96 105.19 99.08 1wcq n GLY 354 Ca -0.16 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 1wcq n GLY 354 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wcq h GLN 355 N 1.54 0.29 -4.41 1.61 4.20 -1.81 -3.46 115.11 113.07 1wcq h GLN 355 Ca 0.00 -0.12 -0.17 0.00 0.06 0.00 0.00 58.65 58.42 1wcq h GLN 355 Cb 0.00 -0.01 -0.15 0.00 0.30 0.00 0.00 27.48 27.62 1wcq h GLN 355 CO 0.00 0.61 -0.67 0.95 -0.67 0.00 0.00 178.83 179.04 1wcq s THR 356 N -4.61 0.32 -0.48 -0.54 -4.23 -1.26 -5.08 115.64 99.77 1wcq s THR 356 Ca -0.14 -1.87 0.06 0.00 -1.18 0.00 0.00 61.69 58.55 1wcq s THR 356 Cb 0.05 -1.72 0.21 0.00 1.34 0.00 0.00 72.50 72.38 1wcq s THR 356 CO 0.73 -0.81 0.49 0.79 -0.54 0.00 0.00 174.62 175.28 1wcq n TRP 357 N 0.01 0.54 0.17 3.99 7.02 -1.26 -4.42 117.44 123.49 1wcq n TRP 357 Ca -0.11 -3.67 0.01 0.00 -1.02 0.00 0.00 57.50 52.72 1wcq n TRP 357 Cb 0.62 -0.21 0.31 0.00 -2.42 0.00 0.00 31.31 29.61 1wcq n TRP 357 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1wcq h PRO 358 N 4.77 0.02 -5.28 -0.99 0.13 -1.83 -3.44 132.00 125.39 1wcq h PRO 358 Ca 0.17 -0.01 -0.60 0.00 -0.87 0.00 0.00 66.00 64.69 1wcq h PRO 358 Cb 0.84 -0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.85 1wcq h PRO 358 CO 0.52 0.44 -0.48 0.08 -0.23 0.00 0.00 178.00 178.33 1wcq s VAL 359 N -4.08 5.40 -0.03 1.56 1.01 -1.16 -1.04 120.40 122.07 1wcq s VAL 359 Ca -0.03 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 1wcq s VAL 359 Cb 0.14 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 33.05 1wcq s VAL 359 CO 0.74 0.43 0.23 -0.94 0.00 0.00 0.00 175.10 175.56 1wcq s SER 360 N 0.40 -0.13 -0.11 3.32 1.04 -1.26 -0.97 113.70 115.99 1wcq s SER 360 Ca 0.09 0.08 -0.09 0.00 0.48 0.00 0.00 55.95 56.51 1wcq s SER 360 Cb -0.11 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.37 1wcq s SER 360 CO -0.01 -0.33 0.29 -0.75 0.98 0.00 0.00 173.24 173.41 1wcq s LYS 361 N -1.01 0.30 -0.07 4.02 2.20 0.09 -5.00 119.74 120.28 1wcq s LYS 361 Ca -0.11 0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 55.68 1wcq s LYS 361 Cb -0.05 0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.30 1wcq s LYS 361 CO 0.02 -0.09 1.20 0.08 -0.36 0.00 0.00 175.35 176.20 1wcq s VAL 362 N 0.60 4.29 -0.10 4.02 1.01 -1.26 -0.78 120.40 128.18 1wcq s VAL 362 Ca -0.04 1.60 0.21 0.00 0.00 0.00 0.00 61.98 63.76 1wcq s VAL 362 Cb -0.05 -4.03 -0.24 0.00 0.00 0.00 0.00 36.38 32.06 1wcq s VAL 362 CO -0.04 -0.02 0.58 2.22 0.00 0.00 0.00 175.10 177.85 1wcq n PHE 363 N 5.37 0.29 -3.34 5.22 1.16 0.24 -4.87 117.46 121.53 1wcq n PHE 363 Ca 0.11 0.09 -0.13 0.00 -1.87 0.00 0.00 57.45 55.65 1wcq n PHE 363 Cb 0.46 -0.71 -0.07 0.00 -1.61 0.00 0.00 39.48 37.55 1wcq n PHE 363 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 1wcq s GLN 364 N -3.32 0.49 0.45 3.97 2.00 -0.99 -4.98 119.66 117.29 1wcq s GLN 364 Ca -0.06 -0.30 0.11 0.00 -2.00 0.00 0.00 55.36 53.11 1wcq s GLN 364 Cb 0.12 -0.51 1.02 0.00 0.80 0.00 0.00 33.01 34.44 1wcq s GLN 364 CO 0.87 -1.10 2.08 -1.00 -0.50 0.00 0.00 175.29 175.64 1wcq h PRO 365 N 7.75 0.29 0.00 1.67 0.13 -1.89 0.59 132.00 140.54 1wcq h PRO 365 Ca -0.04 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1wcq h PRO 365 Cb 1.09 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1wcq h PRO 365 CO 0.25 0.21 0.00 0.41 -0.23 0.00 0.00 178.00 178.64 1wcq n GLY 366 N -1.45 1.29 3.69 1.56 0.00 -1.26 -2.97 105.19 106.06 1wcq n GLY 366 Ca 0.00 -1.59 -0.44 0.00 0.00 0.00 0.00 46.02 44.00 1wcq n GLY 366 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wcq n SER 367 N 0.00 3.71 -3.34 1.61 2.88 -1.26 -2.52 113.62 114.70 1wcq n SER 367 Ca 0.00 1.03 -0.06 0.00 -1.33 0.00 0.00 58.87 58.51 1wcq n SER 367 Cb 0.00 -1.50 -0.07 0.00 -0.75 0.00 0.00 64.21 61.89 1wcq n SER 367 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1wcq s MET 368 N 1.93 0.39 0.00 -1.46 0.00 -0.37 -4.44 119.30 115.34 1wcq s MET 368 Ca 0.80 0.68 0.00 0.00 0.00 0.00 0.00 55.69 57.17 1wcq s MET 368 Cb -0.56 -0.20 0.00 0.00 0.00 0.00 0.00 34.83 34.07 1wcq s MET 368 CO 0.37 -0.60 0.00 0.43 0.00 0.00 0.00 175.02 175.22 1wcq n SER 369 N 5.38 0.00 -4.77 1.11 7.64 -0.64 -3.51 113.62 118.82 1wcq n SER 369 Ca -0.04 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.46 1wcq n SER 369 Cb 0.50 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.64 1wcq n SER 369 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1wcq s PHE 370 N 1.20 3.83 0.01 1.43 0.40 -1.26 -4.59 117.98 119.00 1wcq s PHE 370 Ca 0.00 1.74 -0.04 0.00 -0.60 0.00 0.00 56.93 58.03 1wcq s PHE 370 Cb 0.00 -2.87 -0.01 0.00 0.51 0.00 0.00 43.02 40.66 1wcq s PHE 370 CO 0.00 0.38 0.07 -1.54 0.70 0.00 0.00 175.22 174.83 1wcq s SER 371 N -1.37 0.10 -0.09 1.36 1.04 -1.26 -0.58 113.70 112.90 1wcq s SER 371 Ca 0.43 -0.29 -0.05 0.00 0.48 0.00 0.00 55.95 56.52 1wcq s SER 371 Cb -0.22 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.10 1wcq s SER 371 CO 0.27 -0.32 0.21 0.28 0.98 0.00 0.00 173.24 174.65 1wcq s THR 372 N -1.31 -0.03 0.09 2.02 -1.32 -0.22 -4.04 115.64 110.83 1wcq s THR 372 Ca -0.14 0.11 -0.03 0.00 -1.21 0.00 0.00 61.69 60.41 1wcq s THR 372 Cb -0.08 -0.31 -0.05 0.00 -1.51 0.00 0.00 72.50 70.55 1wcq s THR 372 CO 0.01 0.04 0.29 -0.76 -2.21 0.00 0.00 174.62 171.99 1wcq s LEU 373 N 0.85 4.32 -0.07 9.08 1.43 -1.26 -0.78 118.68 132.25 1wcq s LEU 373 Ca -0.06 0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 53.34 1wcq s LEU 373 Cb -0.08 -3.06 0.03 0.00 0.03 0.00 0.00 46.19 43.11 1wcq s LEU 373 CO -0.05 0.13 0.37 0.28 0.23 0.00 0.00 176.35 177.31 1wcq s THR 374 N -1.54 0.03 -0.06 5.49 -1.32 -0.50 -4.94 115.64 112.79 1wcq s THR 374 Ca 0.36 -0.24 -0.26 0.00 -1.21 0.00 0.00 61.69 60.34 1wcq s THR 374 Cb -0.13 -0.62 -0.03 0.00 -1.51 0.00 0.00 72.50 70.21 1wcq s THR 374 CO 0.24 -0.13 0.80 0.00 -2.21 0.00 0.00 174.62 173.32 1wcq s ALA 375 N -0.69 3.31 0.24 11.08 0.00 -1.26 -1.01 121.76 133.43 1wcq s ALA 375 Ca -0.08 0.24 -0.02 0.00 0.00 0.00 0.00 51.96 52.10 1wcq s ALA 375 Cb -0.04 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.93 1wcq s ALA 375 CO 0.03 -0.21 0.46 -0.51 0.00 0.00 0.00 175.76 175.53 1wcq s LEU 376 N 1.04 4.15 0.66 0.00 1.43 0.91 -4.90 118.68 121.97 1wcq s LEU 376 Ca 0.42 0.53 0.43 0.00 -1.03 0.00 0.00 54.13 54.48 1wcq s LEU 376 Cb -0.19 -3.32 2.35 0.00 0.03 0.00 0.00 46.19 45.06 1wcq s LEU 376 CO 0.20 -0.11 2.35 -0.65 0.23 0.00 0.00 176.35 178.37 1wcq h PRO 377 N 1.83 0.00 -0.14 1.29 0.11 -1.94 -1.85 132.00 131.30 1wcq h PRO 377 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1wcq h PRO 377 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1wcq h PRO 377 CO 0.67 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 1wcq n ASP 378 N -3.18 0.91 0.00 -2.05 5.75 -1.26 -4.89 116.55 111.84 1wcq n ASP 378 Ca -0.03 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 1wcq n ASP 378 Cb 0.08 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1wcq n ASP 378 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wcq n GLY 379 N 0.86 0.50 2.90 6.12 0.00 -0.69 -5.05 105.19 109.82 1wcq n GLY 379 Ca 0.10 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 1wcq n GLY 379 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wcq n THR 380 N -2.93 0.00 -5.01 2.61 -2.24 -1.25 -4.76 114.28 100.69 1wcq n THR 380 Ca 0.00 -1.68 -0.27 0.00 -2.27 0.00 0.00 64.05 59.83 1wcq n THR 380 Cb 0.00 -0.10 -0.16 0.00 -2.10 0.00 0.00 70.33 67.97 1wcq n THR 380 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1wcq s TYR 381 N -2.11 1.90 0.07 4.78 2.02 -0.18 -0.06 117.35 123.77 1wcq s TYR 381 Ca 0.22 -0.43 0.01 0.00 -0.37 0.00 0.00 57.07 56.50 1wcq s TYR 381 Cb -0.02 -1.24 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 1wcq s TYR 381 CO 0.14 -0.08 0.20 0.20 -1.57 0.00 0.00 175.55 174.44 1wcq s GLY 382 N -0.33 2.13 -0.17 0.71 0.00 -0.18 -1.41 107.32 108.07 1wcq s GLY 382 Ca 0.04 -0.88 -0.05 0.00 0.00 0.00 0.00 44.72 43.84 1wcq s GLY 382 CO 0.00 -0.86 0.12 -2.27 0.00 0.00 0.00 173.10 170.10 1wcq s LEU 383 N -2.56 0.22 -0.25 0.66 2.96 0.50 -1.42 118.68 118.80 1wcq s LEU 383 Ca 0.34 -0.46 -0.09 0.00 -0.22 0.00 0.00 54.13 53.70 1wcq s LEU 383 Cb -0.13 -0.08 -0.04 0.00 0.50 0.00 0.00 46.19 46.44 1wcq s LEU 383 CO 0.27 -0.34 0.13 -0.22 -1.32 0.00 0.00 176.35 174.87 1wcq s LEU 384 N 2.19 3.83 0.15 -0.68 2.96 0.04 -0.06 118.68 127.11 1wcq s LEU 384 Ca 0.03 -0.03 -0.06 0.00 -0.22 0.00 0.00 54.13 53.85 1wcq s LEU 384 Cb -0.16 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 1wcq s LEU 384 CO -0.09 0.02 0.20 -0.72 -1.32 0.00 0.00 176.35 174.43 1wcq s TYR 385 N 1.34 0.58 -0.42 5.38 -0.85 0.06 -1.05 117.35 122.38 1wcq s TYR 385 Ca 0.06 -0.94 -0.15 0.00 -0.52 0.00 0.00 57.07 55.52 1wcq s TYR 385 Cb -0.15 -0.22 0.04 0.00 0.38 0.00 0.00 41.96 42.01 1wcq s TYR 385 CO 0.06 -0.65 0.31 -1.21 -1.52 0.00 0.00 175.55 172.54 1wcq s GLU 386 N -4.00 2.95 0.00 -3.49 2.02 0.25 -0.42 118.70 116.00 1wcq s GLU 386 Ca 0.20 -1.12 0.26 0.00 0.02 0.00 0.00 54.97 54.33 1wcq s GLU 386 Cb 0.05 -3.99 0.71 0.00 0.10 0.00 0.00 34.13 31.00 1wcq s GLU 386 CO 0.01 -0.82 1.54 -0.35 0.02 0.00 0.00 175.26 175.66 1wcq n PRO 387 N 5.15 1.36 0.00 0.39 -0.04 -1.26 -1.62 135.00 138.97 1wcq n PRO 387 Ca -0.11 -0.89 0.00 0.00 -0.04 0.00 0.00 63.50 62.45 1wcq n PRO 387 Cb 0.46 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1wcq n PRO 387 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wcq n GLY 388 N 1.29 2.28 0.62 0.55 0.00 -1.26 -4.65 105.19 104.02 1wcq n GLY 388 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.22 1wcq n GLY 388 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wcq n THR 389 N -0.52 1.07 0.00 2.61 -2.24 -1.26 -4.99 114.28 108.94 1wcq n THR 389 Ca 0.00 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1wcq n THR 389 Cb 0.00 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1wcq n THR 389 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wcq n GLY 390 N 0.40 0.49 3.01 3.38 0.00 -1.26 -0.55 105.19 110.66 1wcq n GLY 390 Ca 0.11 -1.09 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 1wcq n GLY 390 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wcq s ILE 391 N 0.00 1.03 -0.03 -0.61 -1.09 -0.22 -4.13 121.20 116.15 1wcq s ILE 391 Ca 0.00 -0.43 0.06 0.00 -2.23 0.00 0.00 60.65 58.05 1wcq s ILE 391 Cb 0.00 -0.95 -0.01 0.00 -1.58 0.00 0.00 42.46 39.92 1wcq s ILE 391 CO 0.00 0.33 -0.20 -0.60 -1.23 0.00 0.00 174.94 173.24 1wcq s ARG 392 N 0.64 1.84 -0.26 2.79 3.52 0.43 -0.66 118.95 127.25 1wcq s ARG 392 Ca -0.13 -0.71 -0.08 0.00 -0.13 0.00 0.00 55.73 54.67 1wcq s ARG 392 Cb -0.15 -1.67 -0.03 0.00 -1.56 0.00 0.00 34.95 31.54 1wcq s ARG 392 CO 0.03 0.36 0.11 -0.47 -0.81 0.00 0.00 175.30 174.51 1wcq s TYR 393 N -0.24 3.13 0.14 5.12 5.04 0.24 -0.76 117.35 130.01 1wcq s TYR 393 Ca 0.02 -0.34 0.07 0.00 -2.44 0.00 0.00 57.07 54.38 1wcq s TYR 393 Cb -0.10 -2.28 -0.04 0.00 0.35 0.00 0.00 41.96 39.89 1wcq s TYR 393 CO 0.01 -0.33 -0.06 0.00 -1.34 0.00 0.00 175.55 173.82 1wcq s ALA 394 N 1.64 3.05 -0.05 3.97 0.00 0.91 -1.19 121.76 130.09 1wcq s ALA 394 Ca 0.06 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 50.70 1wcq s ALA 394 Cb -0.16 -0.90 0.02 0.00 0.00 0.00 0.00 23.12 22.09 1wcq s ALA 394 CO 0.05 0.55 -0.06 1.21 0.00 0.00 0.00 175.76 177.52 1wcq s ASN 395 N -2.60 1.15 0.07 0.00 2.47 0.02 -0.37 114.94 115.68 1wcq s ASN 395 Ca 0.24 -0.16 -0.01 0.00 0.42 0.00 0.00 52.86 53.35 1wcq s ASN 395 Cb -0.10 -0.53 -0.04 0.00 -1.45 0.00 0.00 41.25 39.13 1wcq s ASN 395 CO 0.16 -0.04 -0.02 0.72 -3.72 0.00 0.00 177.10 174.20 1wcq s PHE 396 N 0.90 0.64 0.44 0.43 -0.12 -0.50 -1.80 117.98 117.96 1wcq s PHE 396 Ca -0.11 -1.09 0.06 0.00 -0.05 0.00 0.00 56.93 55.74 1wcq s PHE 396 Cb -0.15 -0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 41.76 1wcq s PHE 396 CO 0.01 -0.38 0.08 0.54 -0.05 0.00 0.00 175.22 175.41 1wcq s ASN 397 N -2.96 4.12 0.45 1.98 2.20 -1.05 -1.01 114.94 118.66 1wcq s ASN 397 Ca 0.11 -1.34 0.13 0.00 -0.94 0.00 0.00 52.86 50.82 1wcq s ASN 397 Cb 0.08 -0.20 1.01 0.00 -2.00 0.00 0.00 41.25 40.14 1wcq s ASN 397 CO -0.07 -0.59 2.03 -0.07 -2.94 0.00 0.00 177.10 175.47 1wcq h LEU 398 N 1.54 0.12 -1.22 3.54 3.38 -1.93 -2.46 115.31 118.28 1wcq h LEU 398 Ca -0.43 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 1wcq h LEU 398 Cb 1.26 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1wcq h LEU 398 CO 0.75 0.19 -0.20 0.00 0.09 0.00 0.00 178.44 179.28 1wcq h ALA 399 N 1.82 1.35 -0.56 1.53 0.00 -1.96 -2.04 119.26 119.41 1wcq h ALA 399 Ca 0.03 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1wcq h ALA 399 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1wcq h ALA 399 CO 0.01 0.44 -0.08 2.35 0.00 0.00 0.00 179.25 181.97 1wcq h TRP 400 N 0.27 1.15 -0.92 0.00 7.01 -1.70 -3.01 115.95 118.76 1wcq h TRP 400 Ca 0.05 -0.23 0.10 0.00 2.11 0.00 0.00 58.89 60.93 1wcq h TRP 400 Cb 0.51 -0.29 -0.07 0.00 -2.10 0.00 0.00 29.16 27.21 1wcq h TRP 400 CO 0.01 1.05 0.59 1.25 -2.79 0.00 0.00 178.44 178.55 1wcq h LEU 401 N 0.93 0.82 1.36 0.65 5.85 -1.31 -3.47 115.31 120.14 1wcq h LEU 401 Ca 0.15 0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.70 1wcq h LEU 401 Cb 0.64 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1wcq h LEU 401 CO 0.04 0.47 -0.25 0.61 -0.34 0.00 0.00 178.44 178.97 1wcq n GLY 402 N -1.40 -0.03 3.90 3.75 0.00 -1.01 -4.72 105.19 105.68 1wcq n GLY 402 Ca 0.16 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 1wcq n GLY 402 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wcq s GLY 403 N -2.57 1.75 -0.04 -0.02 0.00 -1.26 -1.21 107.32 103.97 1wcq s GLY 403 Ca 0.00 -1.61 0.06 0.00 0.00 0.00 0.00 44.72 43.17 1wcq s GLY 403 CO 0.00 -1.52 -0.21 -1.50 0.00 0.00 0.00 173.10 169.88 1wcq s ILE 404 N -2.28 1.68 -1.12 0.90 2.07 -0.72 -4.24 121.20 117.49 1wcq s ILE 404 Ca 0.43 -0.87 -0.18 0.00 -1.41 0.00 0.00 60.65 58.62 1wcq s ILE 404 Cb -0.07 -1.42 -0.06 0.00 0.13 0.00 0.00 42.46 41.05 1wcq s ILE 404 CO 0.28 0.47 2.10 0.00 -1.91 0.00 0.00 174.94 175.89 1wcq n ALA 406 N 6.66 3.04 -1.76 0.00 0.00 -1.26 -0.73 120.51 126.46 1wcq n ALA 406 Ca 0.51 -3.89 -0.39 0.00 0.00 0.00 0.00 53.44 49.68 1wcq n ALA 406 Cb 0.39 -0.84 0.03 0.00 0.00 0.00 0.00 19.45 19.02 1wcq n ALA 406 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wcq s PRO 407 N -1.58 3.33 0.08 0.00 0.04 -1.16 -4.66 135.00 131.05 1wcq s PRO 407 Ca 0.36 2.22 -0.07 0.00 0.04 0.00 0.00 61.00 63.56 1wcq s PRO 407 Cb 0.15 -2.37 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 1wcq s PRO 407 CO -0.08 -1.03 0.13 -0.59 0.04 0.00 0.00 177.00 175.47 1wcq s PHE 408 N -1.30 0.24 0.04 0.56 -0.12 -1.26 -0.12 117.98 116.02 1wcq s PHE 408 Ca 0.68 -0.70 0.07 0.00 -0.05 0.00 0.00 56.93 56.93 1wcq s PHE 408 Cb -0.40 -0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 41.82 1wcq s PHE 408 CO 0.48 -0.50 -0.19 0.95 -0.05 0.00 0.00 175.22 175.91 1wcq s THR 409 N -3.86 1.57 -0.06 -4.49 -4.23 -0.48 -4.80 115.64 99.28 1wcq s THR 409 Ca 0.05 -1.17 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 1wcq s THR 409 Cb 0.06 -1.37 0.02 0.00 1.34 0.00 0.00 72.50 72.54 1wcq s THR 409 CO -0.11 0.16 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.41 1wcq s ILE 410 N -0.82 0.96 0.52 2.99 1.01 -1.26 -2.12 121.20 122.48 1wcq s ILE 410 Ca 0.06 -0.36 -0.22 0.00 0.00 0.00 0.00 60.65 60.13 1wcq s ILE 410 Cb -0.09 -0.91 -0.06 0.00 0.01 0.00 0.00 42.46 41.42 1wcq s ILE 410 CO 0.02 0.32 1.27 -2.16 0.00 0.00 0.00 174.94 174.39 1wcq s PRO 411 N 0.83 3.37 0.43 2.79 0.04 -1.26 -4.70 135.00 136.51 1wcq s PRO 411 Ca -0.12 2.01 -0.26 0.00 0.04 0.00 0.00 61.00 62.68 1wcq s PRO 411 Cb -0.15 -2.29 -0.09 0.00 0.04 0.00 0.00 34.50 32.02 1wcq s PRO 411 CO 0.02 -0.94 1.43 -0.51 0.04 0.00 0.00 177.00 177.04 1wcq s ASP 412 N -1.17 6.00 0.07 6.66 1.01 -1.26 -4.70 116.67 123.27 1wcq s ASP 412 Ca 0.69 2.93 0.06 0.00 0.71 0.00 0.00 52.55 56.94 1wcq s ASP 412 Cb -0.35 -2.66 -0.03 0.00 1.01 0.00 0.00 42.92 40.90 1wcq s ASP 412 CO 0.41 -1.09 -0.18 0.68 0.21 0.00 0.00 175.17 175.20 1wcq s VAL 413 N -1.19 1.41 -0.11 -1.27 -7.23 -0.48 -4.95 120.40 106.59 1wcq s VAL 413 Ca 0.59 -1.28 -0.01 0.00 -1.81 0.00 0.00 61.98 59.48 1wcq s VAL 413 Cb -0.44 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 1wcq s VAL 413 CO 0.57 -0.02 -0.07 0.00 -0.31 0.00 0.00 175.10 175.26 1wcq s ALA 414 N -1.03 2.90 0.35 1.32 0.00 -1.26 -0.96 121.76 123.09 1wcq s ALA 414 Ca 0.04 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 1wcq s ALA 414 Cb -0.09 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.72 1wcq s ALA 414 CO 0.02 0.40 0.48 1.47 0.00 0.00 0.00 175.76 178.14 1wcq n LEU 415 N 2.88 0.00 -4.69 0.00 -0.00 -0.14 -4.96 117.00 110.09 1wcq n LEU 415 Ca -0.18 -2.90 -0.27 0.00 -0.00 0.00 0.00 56.01 52.66 1wcq n LEU 415 Cb 0.53 2.52 -0.07 0.00 -0.00 0.00 0.00 43.42 46.40 1wcq n LEU 415 CO 0.29 -0.65 -0.31 -1.61 -0.00 0.00 0.00 177.39 175.11 1wcq s GLU 416 N -2.84 2.49 0.32 1.47 0.41 -1.26 -1.21 118.70 118.08 1wcq s GLU 416 Ca 0.30 -1.07 -0.28 0.00 -0.41 0.00 0.00 54.97 53.51 1wcq s GLU 416 Cb -0.01 -2.40 -0.13 0.00 -1.78 0.00 0.00 34.13 29.81 1wcq s GLU 416 CO 0.21 0.46 1.22 -2.30 -0.49 0.00 0.00 175.26 174.37 1wcq n PRO 417 N -0.15 1.90 0.00 0.39 -0.02 -1.26 -1.28 135.00 134.59 1wcq n PRO 417 Ca -0.09 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1wcq n PRO 417 Cb 0.55 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1wcq n PRO 417 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wcq n GLY 418 N 1.02 3.19 3.88 -1.23 0.00 0.27 -4.93 105.19 107.38 1wcq n GLY 418 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1wcq n GLY 418 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wcq s GLN 419 N -0.40 3.73 0.04 1.61 -0.21 -0.40 -4.73 119.66 119.29 1wcq s GLN 419 Ca 0.00 0.42 0.08 0.00 0.02 0.00 0.00 55.36 55.88 1wcq s GLN 419 Cb 0.00 -2.38 -0.03 0.00 1.00 0.00 0.00 33.01 31.60 1wcq s GLN 419 CO 0.00 -0.08 -0.20 -1.14 -2.12 0.00 0.00 175.29 171.75 1wcq s GLN 420 N -4.05 2.01 -0.01 2.91 0.74 -1.26 -2.14 119.66 117.86 1wcq s GLN 420 Ca 0.51 -1.01 -0.04 0.00 0.05 0.00 0.00 55.36 54.87 1wcq s GLN 420 Cb -0.10 -2.14 -0.00 0.00 1.10 0.00 0.00 33.01 31.87 1wcq s GLN 420 CO 0.34 0.54 0.09 0.54 -0.55 0.00 0.00 175.29 176.25 1wcq s VAL 421 N -0.88 0.07 -0.21 1.34 0.11 -1.04 -5.03 120.40 114.76 1wcq s VAL 421 Ca 0.14 -0.55 0.01 0.00 -2.93 0.00 0.00 61.98 58.64 1wcq s VAL 421 Cb -0.10 -0.31 0.03 0.00 -1.53 0.00 0.00 36.38 34.46 1wcq s VAL 421 CO 0.04 -0.30 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.47 1wcq s THR 422 N -0.99 2.28 0.10 5.04 2.01 -1.26 -1.22 115.64 121.59 1wcq s THR 422 Ca -0.11 -1.06 0.02 0.00 0.31 0.00 0.00 61.69 60.86 1wcq s THR 422 Cb -0.06 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 1wcq s THR 422 CO 0.01 0.38 0.17 0.68 -0.69 0.00 0.00 174.62 175.16 1wcq s VAL 423 N 1.27 4.96 0.22 3.82 -7.23 -0.22 -4.95 120.40 118.28 1wcq s VAL 423 Ca 0.02 -0.68 -0.21 0.00 -1.81 0.00 0.00 61.98 59.30 1wcq s VAL 423 Cb -0.15 -3.46 -0.08 0.00 0.56 0.00 0.00 36.38 33.25 1wcq s VAL 423 CO -0.10 0.05 0.74 -2.16 -0.31 0.00 0.00 175.10 173.32 1wcq s PRO 424 N -2.72 4.30 -0.15 4.82 0.04 -1.26 -1.05 135.00 138.98 1wcq s PRO 424 Ca 0.32 0.92 -0.04 0.00 0.04 0.00 0.00 61.00 62.25 1wcq s PRO 424 Cb -0.12 -2.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.46 1wcq s PRO 424 CO 0.25 0.41 -0.02 0.08 0.04 0.00 0.00 177.00 177.77 1wcq s VAL 425 N -1.48 4.08 -0.26 -0.36 1.01 0.04 -4.27 120.40 119.16 1wcq s VAL 425 Ca 0.42 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 1wcq s VAL 425 Cb -0.18 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.45 1wcq s VAL 425 CO 0.22 0.51 -0.04 0.00 0.00 0.00 0.00 175.10 175.79 1wcq s ALA 426 N 0.14 2.75 -0.17 5.51 0.00 -0.90 -0.79 121.76 128.30 1wcq s ALA 426 Ca -0.00 -1.53 -0.12 0.00 0.00 0.00 0.00 51.96 50.31 1wcq s ALA 426 Cb -0.13 -1.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.16 1wcq s ALA 426 CO 0.02 -0.93 0.21 0.08 0.00 0.00 0.00 175.76 175.15 1wcq s VAL 427 N 1.32 5.36 -0.38 0.00 1.01 0.26 -1.38 120.40 126.59 1wcq s VAL 427 Ca -0.01 0.37 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 1wcq s VAL 427 Cb -0.17 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.71 1wcq s VAL 427 CO -0.03 0.43 0.20 -0.89 0.00 0.00 0.00 175.10 174.82 1wcq s THR 428 N 0.26 4.37 -0.53 3.92 2.01 0.83 -1.01 115.64 125.49 1wcq s THR 428 Ca 0.13 -1.04 -0.24 0.00 0.31 0.00 0.00 61.69 60.85 1wcq s THR 428 Cb -0.12 -3.50 0.04 0.00 0.01 0.00 0.00 72.50 68.93 1wcq s THR 428 CO 0.01 -0.29 0.91 0.21 -0.69 0.00 0.00 174.62 174.78 1wcq s ASN 429 N 1.66 6.36 0.00 3.53 2.47 -1.12 -2.98 114.94 124.86 1wcq s ASN 429 Ca 0.01 -0.31 0.17 0.00 0.42 0.00 0.00 52.86 53.16 1wcq s ASN 429 Cb -0.20 -2.43 0.35 0.00 -1.45 0.00 0.00 41.25 37.52 1wcq s ASN 429 CO 0.05 -1.17 1.27 0.00 -3.72 0.00 0.00 177.10 173.53 1wcq n GLN 430 N 7.32 2.27 0.20 0.43 6.02 0.09 -3.81 117.38 129.90 1wcq n GLN 430 Ca 0.02 -2.05 0.10 0.00 -0.01 0.00 0.00 57.00 55.06 1wcq n GLN 430 Cb 0.48 -1.39 0.19 0.00 1.02 0.00 0.00 30.24 30.54 1wcq n GLN 430 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1wcq h SER 431 N 3.28 0.00 0.00 1.08 4.64 -1.80 -3.47 113.55 117.29 1wcq h SER 431 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wcq h SER 431 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1wcq h SER 431 CO 0.00 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 1wcq n GLY 432 N 0.99 0.73 3.36 -0.77 0.00 -1.26 -4.99 105.19 103.25 1wcq n GLY 432 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1wcq n GLY 432 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wcq s ILE 433 N -2.70 1.22 0.44 -0.61 -4.36 -1.26 -4.80 121.20 109.13 1wcq s ILE 433 Ca 0.00 -2.06 -0.09 0.00 -0.26 0.00 0.00 60.65 58.24 1wcq s ILE 433 Cb 0.00 -2.36 -0.06 0.00 1.25 0.00 0.00 42.46 41.29 1wcq s ILE 433 CO 0.00 -0.33 0.79 0.00 0.24 0.00 0.00 174.94 175.64 1wcq s ALA 434 N -3.30 3.35 -0.35 2.27 0.00 -1.26 -3.40 121.76 119.08 1wcq s ALA 434 Ca 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 1wcq s ALA 434 Cb 0.05 -2.70 0.12 0.00 0.00 0.00 0.00 23.12 20.59 1wcq s ALA 434 CO 0.09 -0.13 0.17 0.08 0.00 0.00 0.00 175.76 175.97 1wcq s VAL 435 N -2.51 0.57 0.39 0.00 1.01 -0.38 -4.95 120.40 114.54 1wcq s VAL 435 Ca 0.51 -1.60 0.11 0.00 0.00 0.00 0.00 61.98 61.00 1wcq s VAL 435 Cb -0.10 -1.43 0.33 0.00 0.00 0.00 0.00 36.38 35.18 1wcq s VAL 435 CO 0.36 -0.83 1.92 -0.65 0.00 0.00 0.00 175.10 175.90 1wcq h PRO 436 N 7.56 0.55 -2.05 2.72 0.11 -1.95 -1.89 132.00 137.05 1wcq h PRO 436 Ca -0.07 -0.03 -0.57 0.00 0.11 0.00 0.00 66.00 65.45 1wcq h PRO 436 Cb 0.98 -0.12 -0.40 0.00 0.11 0.00 0.00 31.00 31.57 1wcq h PRO 436 CO 0.41 0.36 -0.99 1.63 -0.21 0.00 0.00 178.00 179.20 1wcq n LYS 437 N -4.50 1.20 -1.96 1.05 5.02 -1.26 -4.51 118.16 113.19 1wcq n LYS 437 Ca 0.14 -3.60 -0.30 0.00 -2.02 0.00 0.00 58.31 52.53 1wcq n LYS 437 Cb 0.43 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.97 1wcq n LYS 437 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1wcq s PRO 438 N -1.60 3.10 0.06 1.97 0.04 -1.26 -4.88 135.00 132.43 1wcq s PRO 438 Ca 0.37 0.48 -0.00 0.00 0.04 0.00 0.00 61.00 61.89 1wcq s PRO 438 Cb 0.18 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1wcq s PRO 438 CO -0.09 -0.84 -0.04 -1.54 0.04 0.00 0.00 177.00 174.54 1wcq s SER 439 N -4.29 0.64 -0.20 6.66 1.04 -0.65 -4.77 113.70 112.12 1wcq s SER 439 Ca 0.56 -0.91 0.01 0.00 0.48 0.00 0.00 55.95 56.09 1wcq s SER 439 Cb -0.11 0.15 0.04 0.00 0.10 0.00 0.00 66.02 66.20 1wcq s SER 439 CO 0.51 -0.51 -0.12 -0.22 0.98 0.00 0.00 173.24 173.89 1wcq s LEU 440 N -2.69 2.34 -0.14 2.42 2.96 -1.26 -0.43 118.68 121.88 1wcq s LEU 440 Ca 0.04 -0.88 -0.03 0.00 -0.22 0.00 0.00 54.13 53.05 1wcq s LEU 440 Cb 0.04 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.41 1wcq s LEU 440 CO -0.07 -0.12 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.20 1wcq s GLN 441 N 1.36 3.51 -0.02 1.98 0.74 0.04 -4.24 119.66 123.03 1wcq s GLN 441 Ca -0.01 -0.54 0.05 0.00 0.05 0.00 0.00 55.36 54.92 1wcq s GLN 441 Cb -0.16 -2.84 -0.03 0.00 1.10 0.00 0.00 33.01 31.09 1wcq s GLN 441 CO -0.09 0.30 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.27 1wcq s LEU 442 N 0.18 2.54 -0.35 3.68 1.02 -1.26 0.27 118.68 124.77 1wcq s LEU 442 Ca -0.03 -0.31 -0.01 0.00 0.02 0.00 0.00 54.13 53.81 1wcq s LEU 442 Cb -0.14 -1.49 0.08 0.00 0.02 0.00 0.00 46.19 44.66 1wcq s LEU 442 CO 0.03 0.32 0.08 -1.81 0.02 0.00 0.00 176.35 174.99 1wcq s ASP 443 N -0.85 4.96 0.20 2.29 -0.00 0.54 -4.98 116.67 118.83 1wcq s ASP 443 Ca 0.12 -1.75 0.04 0.00 -0.00 0.00 0.00 52.55 50.96 1wcq s ASP 443 Cb -0.10 -1.72 -0.01 0.00 -0.00 0.00 0.00 42.92 41.08 1wcq s ASP 443 CO 0.01 -0.38 0.14 0.00 -0.00 0.00 0.00 175.17 174.94 1wcq n ALA 444 N 4.52 0.39 -1.66 5.23 0.00 -1.26 -1.68 120.51 126.05 1wcq n ALA 444 Ca -0.06 -1.14 -0.40 0.00 0.00 0.00 0.00 53.44 51.84 1wcq n ALA 444 Cb 0.42 0.88 0.03 0.00 0.00 0.00 0.00 19.45 20.78 1wcq n ALA 444 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wcq n SER 445 N -2.11 1.78 0.27 0.00 7.64 -1.26 -4.87 113.62 115.07 1wcq n SER 445 Ca 0.02 1.00 0.12 0.00 1.01 0.00 0.00 58.87 61.02 1wcq n SER 445 Cb 0.35 -1.44 0.74 0.00 -1.01 0.00 0.00 64.21 62.84 1wcq n SER 445 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1wcq h PRO 446 N 1.46 0.00 0.00 1.43 0.13 -2.03 -2.07 132.00 130.93 1wcq h PRO 446 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wcq h PRO 446 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1wcq h PRO 446 CO 0.56 0.08 -0.89 -0.25 -0.23 0.00 0.00 178.00 177.27 1wcq n ASP 447 N -3.93 0.64 -4.76 1.44 8.00 -1.26 -4.87 116.55 111.81 1wcq n ASP 447 Ca -0.02 -0.08 -0.40 0.00 0.71 0.00 0.00 54.79 55.00 1wcq n ASP 447 Cb 0.17 0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 41.79 1wcq n ASP 447 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1wcq s TRP 448 N -3.19 3.96 -0.55 1.24 0.52 -0.78 -4.68 118.94 115.45 1wcq s TRP 448 Ca 0.04 1.82 -0.21 0.00 0.02 0.00 0.00 56.10 57.78 1wcq s TRP 448 Cb 0.14 -2.91 0.06 0.00 -1.15 0.00 0.00 33.47 29.61 1wcq s TRP 448 CO 0.77 0.47 0.78 -0.65 0.02 0.00 0.00 176.95 178.35 1wcq s GLN 449 N -1.19 3.18 -0.22 4.98 1.11 -1.16 -4.87 119.66 121.49 1wcq s GLN 449 Ca 0.39 -0.73 0.01 0.00 0.01 0.00 0.00 55.36 55.05 1wcq s GLN 449 Cb -0.25 -4.12 0.05 0.00 -1.01 0.00 0.00 33.01 27.68 1wcq s GLN 449 CO 0.30 -1.41 -0.09 0.08 0.01 0.00 0.00 175.29 174.17 1wcq s VAL 450 N 3.24 1.76 0.13 1.09 1.01 -1.26 -1.09 120.40 125.28 1wcq s VAL 450 Ca 0.20 -1.23 0.08 0.00 0.00 0.00 0.00 61.98 61.03 1wcq s VAL 450 Cb -0.17 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1wcq s VAL 450 CO 0.13 0.05 -0.18 0.00 0.00 0.00 0.00 175.10 175.11 1wcq s GLN 451 N 1.31 1.14 0.14 2.72 -2.07 -0.85 -4.72 119.66 117.33 1wcq s GLN 451 Ca -0.04 -1.26 -0.15 0.00 -1.82 0.00 0.00 55.36 52.09 1wcq s GLN 451 Cb -0.18 -1.22 0.03 0.00 -1.09 0.00 0.00 33.01 30.55 1wcq s GLN 451 CO -0.07 0.26 0.39 0.20 -1.32 0.00 0.00 175.29 174.75 1wcq s GLY 452 N -2.31 -0.11 0.23 2.60 0.00 -1.26 -0.36 107.32 106.10 1wcq s GLY 452 Ca 0.10 -0.24 -0.12 0.00 0.00 0.00 0.00 44.72 44.46 1wcq s GLY 452 CO 0.05 -0.41 0.43 -1.35 0.00 0.00 0.00 173.10 171.82 1wcq s SER 453 N -2.84 -0.07 -0.20 1.64 1.04 -0.43 -4.40 113.70 108.44 1wcq s SER 453 Ca 0.06 -0.91 -0.21 0.00 0.48 0.00 0.00 55.95 55.38 1wcq s SER 453 Cb 0.02 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.74 1wcq s SER 453 CO -0.09 -1.08 0.57 0.54 0.98 0.00 0.00 173.24 174.17 1wcq s VAL 454 N -4.01 0.00 0.65 5.02 0.11 -1.26 -1.33 120.40 119.59 1wcq s VAL 454 Ca 0.22 -0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 59.13 1wcq s VAL 454 Cb 0.00 -0.81 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 1wcq s VAL 454 CO 0.07 -0.01 1.05 -1.61 -3.33 0.00 0.00 175.10 171.27 1wcq s GLU 455 N 0.13 3.30 0.21 1.54 2.02 -0.74 -4.73 118.70 120.42 1wcq s GLU 455 Ca -0.01 0.73 -0.31 0.00 0.02 0.00 0.00 54.97 55.40 1wcq s GLU 455 Cb -0.04 -2.05 -0.15 0.00 0.10 0.00 0.00 34.13 31.99 1wcq s GLU 455 CO 0.02 -0.78 1.09 -2.30 0.02 0.00 0.00 175.26 173.30 1wcq n PRO 456 N -2.89 1.16 -2.84 0.39 -0.02 -1.26 -4.83 135.00 124.71 1wcq n PRO 456 Ca 0.06 0.41 -0.35 0.00 -2.02 0.00 0.00 63.50 61.60 1wcq n PRO 456 Cb 0.55 -1.85 -0.07 0.00 -0.02 0.00 0.00 33.50 32.11 1wcq n PRO 456 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1wcq s LEU 457 N 0.71 4.21 0.05 2.45 1.43 -0.71 -4.90 118.68 121.92 1wcq s LEU 457 Ca 0.69 1.72 0.05 0.00 -1.03 0.00 0.00 54.13 55.56 1wcq s LEU 457 Cb -0.81 -4.13 -0.02 0.00 0.03 0.00 0.00 46.19 41.25 1wcq s LEU 457 CO 0.55 -0.15 -0.14 -0.04 0.23 0.00 0.00 176.35 176.79 1wcq s MET 458 N -2.42 0.89 0.28 1.70 -1.94 -1.26 -1.24 119.30 115.30 1wcq s MET 458 Ca 0.53 -0.83 -0.30 0.00 -1.71 0.00 0.00 55.69 53.38 1wcq s MET 458 Cb -0.15 -0.91 -0.11 0.00 2.01 0.00 0.00 34.83 35.68 1wcq s MET 458 CO 0.20 0.22 1.50 -2.14 -0.01 0.00 0.00 175.02 174.79 1wcq s PRO 459 N -1.35 4.20 -0.36 2.03 0.02 -1.22 -2.52 135.00 135.80 1wcq s PRO 459 Ca 0.00 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.45 1wcq s PRO 459 Cb -0.09 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1wcq s PRO 459 CO 0.02 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 1wcq n GLY 460 N 2.05 0.60 3.13 0.52 0.00 -1.25 -5.00 105.19 105.25 1wcq n GLY 460 Ca 0.07 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 1wcq n GLY 460 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wcq s ARG 461 N -1.58 0.88 0.50 1.61 0.52 -1.05 -4.98 118.95 114.85 1wcq s ARG 461 Ca 0.00 -0.73 -0.23 0.00 -0.52 0.00 0.00 55.73 54.26 1wcq s ARG 461 Cb 0.00 -0.86 -0.06 0.00 0.52 0.00 0.00 34.95 34.55 1wcq s ARG 461 CO 0.00 0.21 1.30 -0.65 0.02 0.00 0.00 175.30 176.19 1wcq s GLN 462 N -1.11 3.46 0.04 3.54 -1.52 -1.26 -2.80 119.66 120.01 1wcq s GLN 462 Ca 0.01 2.11 0.08 0.00 -1.95 0.00 0.00 55.36 55.61 1wcq s GLN 462 Cb -0.08 -2.39 -0.03 0.00 -0.22 0.00 0.00 33.01 30.29 1wcq s GLN 462 CO 0.01 -0.90 -0.23 0.00 -0.25 0.00 0.00 175.29 173.93 1wcq s ALA 463 N -1.36 1.93 0.26 6.09 0.00 -0.18 -4.90 121.76 123.60 1wcq s ALA 463 Ca 0.67 -1.11 -0.02 0.00 0.00 0.00 0.00 51.96 51.49 1wcq s ALA 463 Cb -0.37 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 1wcq s ALA 463 CO 0.45 0.45 0.48 -1.59 0.00 0.00 0.00 175.76 175.54 1wcq s LYS 464 N -1.11 3.56 0.15 0.00 -2.85 -1.26 0.93 119.74 119.15 1wcq s LYS 464 Ca 0.09 -0.21 -0.02 0.00 -1.00 0.00 0.00 55.97 54.83 1wcq s LYS 464 Cb -0.09 -2.74 0.01 0.00 -2.06 0.00 0.00 37.83 32.95 1wcq s LYS 464 CO 0.02 0.29 0.24 0.41 0.10 0.00 0.00 175.35 176.40 1wcq n GLY 465 N -0.94 2.37 3.32 0.59 0.00 0.03 -1.80 105.19 108.75 1wcq n GLY 465 Ca -0.04 -1.37 -0.12 0.00 0.00 0.00 0.00 46.02 44.50 1wcq n GLY 465 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wcq s GLN 466 N -2.24 0.99 -0.02 1.61 -2.07 -0.44 -0.78 119.66 116.71 1wcq s GLN 466 Ca 0.10 -0.52 0.02 0.00 -1.82 0.00 0.00 55.36 53.14 1wcq s GLN 466 Cb -0.01 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.35 1wcq s GLN 466 CO 0.07 -0.36 -0.07 0.08 -1.32 0.00 0.00 175.29 173.69 1wcq s VAL 467 N -3.08 0.61 -0.16 3.63 1.01 -0.22 -1.31 120.40 120.88 1wcq s VAL 467 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1wcq s VAL 467 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.84 1wcq s VAL 467 CO -0.07 0.19 -0.16 -0.89 0.00 0.00 0.00 175.10 174.18 1wcq s THR 468 N 0.15 2.57 -0.15 3.92 2.01 0.51 -1.05 115.64 123.59 1wcq s THR 468 Ca -0.02 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1wcq s THR 468 Cb -0.07 -2.09 0.02 0.00 0.01 0.00 0.00 72.50 70.37 1wcq s THR 468 CO -0.00 0.51 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.62 1wcq s ILE 469 N 0.95 1.92 -0.13 1.82 1.01 -0.36 -2.02 121.20 124.39 1wcq s ILE 469 Ca -0.03 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 1wcq s ILE 469 Cb -0.15 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 1wcq s ILE 469 CO -0.03 0.52 -0.11 -0.89 0.00 0.00 0.00 174.94 174.44 1wcq s THR 470 N 1.12 3.27 -0.22 2.92 2.01 -0.25 -2.50 115.64 121.99 1wcq s THR 470 Ca -0.00 -0.59 -0.00 0.00 0.31 0.00 0.00 61.69 61.40 1wcq s THR 470 Cb -0.14 -2.38 0.03 0.00 0.01 0.00 0.00 72.50 70.02 1wcq s THR 470 CO -0.08 0.53 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.58 1wcq s VAL 471 N 0.20 2.53 0.92 3.82 1.01 -0.91 -2.98 120.40 124.99 1wcq s VAL 471 Ca -0.07 -1.05 -0.14 0.00 0.00 0.00 0.00 61.98 60.73 1wcq s VAL 471 Cb -0.15 -2.23 0.15 0.00 0.00 0.00 0.00 36.38 34.15 1wcq s VAL 471 CO 0.04 0.30 1.19 -2.84 0.00 0.00 0.00 175.10 173.79 1wcq s PRO 472 N 1.29 1.03 0.38 2.72 0.02 -1.26 0.95 135.00 140.12 1wcq s PRO 472 Ca 0.01 0.06 -0.26 0.00 0.02 0.00 0.00 61.00 60.83 1wcq s PRO 472 Cb -0.16 -1.85 -0.12 0.00 0.02 0.00 0.00 34.50 32.40 1wcq s PRO 472 CO -0.07 -2.23 1.03 0.00 -0.33 0.00 0.00 177.00 175.39 1wcq n ALA 473 N -3.74 0.15 -0.99 -1.55 0.00 -1.26 -2.71 120.51 110.42 1wcq n ALA 473 Ca 0.09 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1wcq n ALA 473 Cb 0.60 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1wcq n ALA 473 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wcq n GLY 474 N 1.16 0.81 3.68 0.00 0.00 -1.26 -4.96 105.19 104.62 1wcq n GLY 474 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1wcq n GLY 474 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wcq n THR 475 N -2.30 0.56 -1.68 2.61 -1.04 -1.10 -4.87 114.28 106.47 1wcq n THR 475 Ca 0.00 -0.10 -0.47 0.00 -2.04 0.00 0.00 64.05 61.44 1wcq n THR 475 Cb 0.01 -2.23 -0.04 0.00 -1.82 0.00 0.00 70.33 66.24 1wcq n THR 475 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1wcq n THR 476 N 5.12 0.35 -1.59 12.58 -1.04 -1.26 -4.86 114.28 123.58 1wcq n THR 476 Ca 0.19 -0.06 -0.52 0.00 -2.04 0.00 0.00 64.05 61.62 1wcq n THR 476 Cb 0.39 -1.76 -0.06 0.00 -1.82 0.00 0.00 70.33 67.08 1wcq n THR 476 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1wcq n PRO 477 N 5.34 1.12 -3.28 -2.82 -0.02 -1.26 -4.90 135.00 129.19 1wcq n PRO 477 Ca 0.20 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1wcq n PRO 477 Cb 0.30 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1wcq n PRO 477 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wcq n GLY 478 N 2.41 -1.52 3.40 -1.23 0.00 -0.07 -4.98 105.19 103.21 1wcq n GLY 478 Ca 0.18 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1wcq n GLY 478 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wcq s ARG 479 N -1.66 2.88 -0.19 1.61 0.52 -1.26 0.93 118.95 121.79 1wcq s ARG 479 Ca 0.00 -1.14 -0.04 0.00 -0.52 0.00 0.00 55.73 54.03 1wcq s ARG 479 Cb 0.00 -3.90 -0.02 0.00 0.52 0.00 0.00 34.95 31.54 1wcq s ARG 479 CO 0.00 -0.80 -0.02 0.71 0.02 0.00 0.00 175.30 175.21 1wcq s TYR 480 N 1.61 3.02 -0.11 -0.53 2.02 0.23 -4.92 117.35 118.66 1wcq s TYR 480 Ca 0.04 -0.47 -0.29 0.00 -0.37 0.00 0.00 57.07 55.98 1wcq s TYR 480 Cb -0.20 -2.05 -0.01 0.00 -0.40 0.00 0.00 41.96 39.30 1wcq s TYR 480 CO 0.08 -0.22 0.97 0.50 -1.57 0.00 0.00 175.55 175.31 1wcq s ARG 481 N 0.86 4.40 -0.14 -0.62 3.52 -1.26 0.44 118.95 126.15 1wcq s ARG 481 Ca 0.00 1.32 0.00 0.00 -0.13 0.00 0.00 55.73 56.92 1wcq s ARG 481 Cb -0.14 -3.54 -0.00 0.00 -1.56 0.00 0.00 34.95 29.70 1wcq s ARG 481 CO 0.02 -0.31 -0.15 0.08 -0.81 0.00 0.00 175.30 174.13 1wcq s VAL 482 N 2.00 2.71 0.37 7.11 1.01 -0.18 -4.85 120.40 128.57 1wcq s VAL 482 Ca 0.46 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 1wcq s VAL 482 Cb -0.18 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 1wcq s VAL 482 CO 0.17 0.52 0.66 -0.83 0.00 0.00 0.00 175.10 175.62 1wcq s GLY 483 N 0.65 1.73 -0.08 4.51 0.00 -0.68 -1.32 107.32 112.14 1wcq s GLY 483 Ca -0.08 -0.50 -0.05 0.00 0.00 0.00 0.00 44.72 44.09 1wcq s GLY 483 CO 0.02 -0.37 0.19 0.00 0.00 0.00 0.00 173.10 172.95 1wcq s ALA 484 N -2.34 -0.42 -0.12 3.20 0.00 -0.53 -0.34 121.76 121.21 1wcq s ALA 484 Ca 0.46 0.72 0.01 0.00 0.00 0.00 0.00 51.96 53.15 1wcq s ALA 484 Cb -0.10 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.58 1wcq s ALA 484 CO 0.34 -0.14 -0.13 0.99 0.00 0.00 0.00 175.76 176.82 1wcq s THR 485 N 0.82 1.40 -0.43 0.00 2.01 0.14 -2.22 115.64 117.37 1wcq s THR 485 Ca -0.06 -0.56 -0.24 0.00 0.31 0.00 0.00 61.69 61.14 1wcq s THR 485 Cb -0.08 -1.31 0.02 0.00 0.01 0.00 0.00 72.50 71.15 1wcq s THR 485 CO -0.05 0.42 0.84 -0.22 -0.69 0.00 0.00 174.62 174.93 1wcq s LEU 486 N 1.25 4.13 -0.26 4.42 2.96 0.10 -0.78 118.68 130.50 1wcq s LEU 486 Ca -0.01 0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 53.89 1wcq s LEU 486 Cb -0.14 -3.07 -0.05 0.00 0.50 0.00 0.00 46.19 43.43 1wcq s LEU 486 CO -0.05 -0.92 0.20 -0.13 -1.32 0.00 0.00 176.35 174.14 1wcq s ARG 487 N 3.41 4.02 0.26 1.98 0.52 0.43 -1.80 118.95 127.77 1wcq s ARG 487 Ca 0.33 -0.23 0.02 0.00 -0.52 0.00 0.00 55.73 55.32 1wcq s ARG 487 Cb -0.12 -3.60 -0.05 0.00 0.52 0.00 0.00 34.95 31.70 1wcq s ARG 487 CO 0.22 -0.07 0.08 0.95 0.02 0.00 0.00 175.30 176.51 1wcq s THR 488 N 1.44 0.66 0.29 0.02 -4.23 -0.80 -1.64 115.64 111.38 1wcq s THR 488 Ca 0.09 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.81 1wcq s THR 488 Cb -0.15 -2.63 0.19 0.00 1.34 0.00 0.00 72.50 71.26 1wcq s THR 488 CO 0.08 -0.03 1.88 0.77 -0.54 0.00 0.00 174.62 176.78 1wcq h SER 489 N 2.37 0.00 1.53 3.99 4.64 -1.98 -2.95 113.55 121.15 1wcq h SER 489 Ca -0.38 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.87 1wcq h SER 489 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1wcq h SER 489 CO 0.62 0.27 -0.33 0.00 -0.87 0.00 0.00 176.83 176.52 1wcq h ALA 490 N 1.73 0.81 0.00 5.18 0.00 -1.96 -3.50 119.26 121.52 1wcq h ALA 490 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1wcq h ALA 490 Cb 0.63 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1wcq h ALA 490 CO 0.03 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.11 1wcq n GLY 491 N 1.02 0.41 3.56 0.00 0.00 -1.12 -4.50 105.19 104.56 1wcq n GLY 491 Ca 0.02 -1.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.05 1wcq n GLY 491 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wcq s ASN 492 N -4.00 4.15 0.13 1.61 0.01 -0.35 -1.90 114.94 114.58 1wcq s ASN 492 Ca 0.00 -0.69 0.02 0.00 -0.71 0.00 0.00 52.86 51.48 1wcq s ASN 492 Cb 0.00 -0.64 -0.04 0.00 0.41 0.00 0.00 41.25 40.97 1wcq s ASN 492 CO 0.00 0.07 -0.05 0.00 -1.51 0.00 0.00 177.10 175.61 1wcq s ALA 493 N -1.97 1.14 0.26 0.60 0.00 -0.75 -1.75 121.76 119.29 1wcq s ALA 493 Ca 0.27 -1.44 -0.12 0.00 0.00 0.00 0.00 51.96 50.67 1wcq s ALA 493 Cb -0.08 0.26 -0.00 0.00 0.00 0.00 0.00 23.12 23.30 1wcq s ALA 493 CO 0.16 -0.24 0.48 -1.54 0.00 0.00 0.00 175.76 174.61 1wcq s SER 494 N -3.10 0.00 0.27 0.00 1.04 -0.20 -0.72 113.70 110.99 1wcq s SER 494 Ca 0.16 -1.00 -0.20 0.00 0.48 0.00 0.00 55.95 55.39 1wcq s SER 494 Cb 0.05 0.59 0.05 0.00 0.10 0.00 0.00 66.02 66.82 1wcq s SER 494 CO -0.02 -1.16 0.86 0.28 0.98 0.00 0.00 173.24 174.18 1wcq s THR 495 N -3.89 0.00 0.05 2.02 -1.32 -0.94 -4.67 115.64 106.88 1wcq s THR 495 Ca 0.23 -0.85 -0.01 0.00 -1.21 0.00 0.00 61.69 59.86 1wcq s THR 495 Cb -0.01 -2.45 -0.04 0.00 -1.51 0.00 0.00 72.50 68.50 1wcq s THR 495 CO 0.10 0.00 -0.03 0.42 -2.21 0.00 0.00 174.62 172.90 1wcq s THR 496 N -2.93 0.22 0.17 5.08 -4.23 -1.26 -1.45 115.64 111.23 1wcq s THR 496 Ca 0.15 -1.65 -0.06 0.00 -1.18 0.00 0.00 61.69 58.95 1wcq s THR 496 Cb -0.04 -1.29 -0.02 0.00 1.34 0.00 0.00 72.50 72.49 1wcq s THR 496 CO 0.07 -0.90 0.23 0.72 -0.54 0.00 0.00 174.62 174.20 1wcq s PHE 497 N -3.45 0.63 -0.15 3.99 -0.12 -0.43 -4.82 117.98 113.63 1wcq s PHE 497 Ca 0.03 -0.97 -0.03 0.00 -0.05 0.00 0.00 56.93 55.90 1wcq s PHE 497 Cb 0.05 -0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.20 1wcq s PHE 497 CO -0.08 -0.69 -0.05 0.99 -0.05 0.00 0.00 175.22 175.34 1wcq s THR 498 N -4.03 3.81 -0.34 -4.49 2.01 -1.26 -1.01 115.64 110.33 1wcq s THR 498 Ca 0.23 -0.39 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 1wcq s THR 498 Cb 0.04 -2.66 -0.00 0.00 0.01 0.00 0.00 72.50 69.89 1wcq s THR 498 CO 0.04 0.50 0.20 -0.69 -0.69 0.00 0.00 174.62 173.97 1wcq s VAL 499 N 0.35 4.84 -0.20 3.82 1.01 0.17 -1.38 120.40 129.01 1wcq s VAL 499 Ca -0.05 -0.46 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 1wcq s VAL 499 Cb -0.14 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1wcq s VAL 499 CO 0.03 -0.04 0.77 -0.89 0.00 0.00 0.00 175.10 174.98 1wcq s THR 500 N 1.64 4.91 -0.21 3.92 2.01 -0.13 0.77 115.64 128.54 1wcq s THR 500 Ca 0.05 1.48 -0.05 0.00 0.31 0.00 0.00 61.69 63.48 1wcq s THR 500 Cb -0.18 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 1wcq s THR 500 CO 0.08 0.02 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.34 1wcq s VAL 501 N 2.30 3.86 -1.55 3.82 1.01 0.26 -0.97 120.40 129.14 1wcq s VAL 501 Ca 0.34 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 1wcq s VAL 501 Cb -0.16 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.48 1wcq s VAL 501 CO 0.10 0.41 0.55 0.61 0.00 0.00 0.00 175.10 176.77 1wcq n GLY 502 N 4.48 -0.52 3.14 4.51 0.00 -0.35 -0.89 105.19 115.56 1wcq n GLY 502 Ca -0.17 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1wcq n GLY 502 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wcq s LEU 503 N -6.62 2.05 0.97 0.99 1.43 -1.21 -1.29 118.68 115.00 1wcq s LEU 503 Ca 0.29 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.96 1wcq s LEU 503 Cb -0.13 -0.78 0.17 0.00 0.03 0.00 0.00 46.19 45.48 1wcq s LEU 503 CO 0.36 0.17 1.08 -0.76 0.23 0.00 0.00 176.35 177.43 1wcq s LEU 504 N -0.50 1.91 -0.47 1.79 1.43 -0.68 -4.81 118.68 117.36 1wcq s LEU 504 Ca 0.06 1.50 -0.22 0.00 -1.03 0.00 0.00 54.13 54.43 1wcq s LEU 504 Cb -0.06 -3.77 0.03 0.00 0.03 0.00 0.00 46.19 42.42 1wcq s LEU 504 CO -0.00 -3.07 0.72 -0.62 0.23 0.00 0.00 176.35 173.61 1wcq s ASP 505 N -3.19 6.33 0.47 2.29 2.15 -1.26 -4.76 116.67 118.70 1wcq s ASP 505 Ca 0.65 -0.38 0.21 0.00 0.43 0.00 0.00 52.55 53.45 1wcq s ASP 505 Cb -0.20 -2.35 1.20 0.00 -0.30 0.00 0.00 42.92 41.27 1wcq s ASP 505 CO 0.59 -0.91 1.92 1.56 -0.17 0.00 0.00 175.17 178.16 1wcq h GLN 506 N 8.99 0.25 -0.06 4.34 4.20 -1.93 -1.94 115.11 128.96 1wcq h GLN 506 Ca -0.26 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.46 1wcq h GLN 506 Cb 1.09 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.81 1wcq h GLN 506 CO 0.95 0.16 0.06 0.00 -0.67 0.00 0.00 178.83 179.34 1wcq h ALA 507 N 1.65 1.77 0.00 3.87 0.00 -1.92 -0.65 119.26 123.98 1wcq h ALA 507 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1wcq h ALA 507 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1wcq h ALA 507 CO -0.09 -0.09 -0.52 0.00 0.00 0.00 0.00 179.25 178.56 1wcq h ARG 508 N 0.00 0.00 -7.36 0.00 2.47 -1.68 -3.48 114.38 104.34 1wcq h ARG 508 Ca 0.03 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.24 1wcq h ARG 508 Cb 0.14 0.00 0.07 0.00 -1.65 0.00 0.00 29.97 28.53 1wcq h ARG 508 CO -0.00 0.00 0.41 -1.64 0.56 0.00 0.00 179.97 179.30 1wcq s MET 509 N -3.16 3.49 0.17 0.04 -1.94 -0.25 -3.77 119.30 113.88 1wcq s MET 509 Ca 0.07 0.78 -0.09 0.00 -1.71 0.00 0.00 55.69 54.75 1wcq s MET 509 Cb 0.13 -2.07 -0.01 0.00 2.01 0.00 0.00 34.83 34.89 1wcq s MET 509 CO 0.70 -0.66 0.28 -1.54 -0.01 0.00 0.00 175.02 173.80 1wcq s SER 510 N -4.12 0.05 -0.24 3.03 1.04 -0.06 -4.96 113.70 108.44 1wcq s SER 510 Ca 0.55 -0.92 -0.29 0.00 0.48 0.00 0.00 55.95 55.78 1wcq s SER 510 Cb -0.11 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.45 1wcq s SER 510 CO 0.54 -0.90 1.03 -0.63 0.98 0.00 0.00 173.24 174.26 1wcq s ILE 511 N -3.99 4.68 -0.04 -1.02 -1.09 -1.26 0.34 121.20 118.82 1wcq s ILE 511 Ca 0.19 2.00 -0.24 0.00 -2.23 0.00 0.00 60.65 60.37 1wcq s ILE 511 Cb 0.03 -4.31 -0.22 0.00 -1.58 0.00 0.00 42.46 36.39 1wcq s ILE 511 CO 0.01 -0.19 1.10 0.00 -1.23 0.00 0.00 174.94 174.64 1wcq h ALA 512 N 7.49 0.06 -2.79 9.38 0.00 -1.17 -3.45 119.26 128.78 1wcq h ALA 512 Ca -0.19 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.34 1wcq h ALA 512 Cb 1.06 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.73 1wcq h ALA 512 CO 0.98 0.03 0.30 0.16 0.00 0.00 0.00 179.25 180.71 1wcq s ASP 513 N -6.18 -0.47 -0.16 0.00 1.47 -1.18 -5.00 116.67 105.14 1wcq s ASP 513 Ca -0.16 -0.08 -0.19 0.00 1.18 0.00 0.00 52.55 53.30 1wcq s ASP 513 Cb 0.01 0.55 0.05 0.00 -0.34 0.00 0.00 42.92 43.20 1wcq s ASP 513 CO 0.73 -0.92 0.52 0.54 0.68 0.00 0.00 175.17 176.72 1wcq s VAL 514 N -3.59 0.01 0.19 2.11 0.11 -1.26 -1.39 120.40 116.58 1wcq s VAL 514 Ca 0.04 -0.05 0.10 0.00 -2.93 0.00 0.00 61.98 59.13 1wcq s VAL 514 Cb -0.02 -0.74 -0.07 0.00 -1.53 0.00 0.00 36.38 34.02 1wcq s VAL 514 CO -0.09 -0.03 1.50 -2.24 -3.33 0.00 0.00 175.10 170.91 1wcq h ASP 515 N 4.91 0.00 -3.86 3.54 2.03 -1.73 -3.46 116.42 117.84 1wcq h ASP 515 Ca -0.28 0.00 0.01 0.00 -0.73 0.00 0.00 57.03 56.04 1wcq h ASP 515 Cb 1.17 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 39.44 1wcq h ASP 515 CO 0.22 0.73 0.33 -0.55 -1.03 0.00 0.00 179.24 178.94 1wcq s SER 516 N -6.75 -0.56 -0.11 4.15 0.15 -1.26 -5.03 113.70 104.29 1wcq s SER 516 Ca -0.00 0.96 -0.17 0.00 0.70 0.00 0.00 55.95 57.43 1wcq s SER 516 Cb 0.11 0.92 0.04 0.00 -1.71 0.00 0.00 66.02 65.39 1wcq s SER 516 CO 0.78 -0.28 0.44 -1.83 1.20 0.00 0.00 173.24 173.54 1wcq s GLU 517 N -0.14 0.63 -0.10 5.44 -1.05 -1.26 -4.26 118.70 117.96 1wcq s GLU 517 Ca -0.01 0.34 -0.20 0.00 -0.15 0.00 0.00 54.97 54.96 1wcq s GLU 517 Cb -0.04 0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 1wcq s GLU 517 CO -0.00 -0.13 0.54 -2.00 0.95 0.00 0.00 175.26 174.61 1wcq s GLU 518 N -0.40 4.36 0.00 -4.83 2.56 0.05 -4.07 118.70 116.37 1wcq s GLU 518 Ca -0.05 0.57 0.00 0.00 0.00 0.00 0.00 54.97 55.48 1wcq s GLU 518 Cb -0.03 -3.43 0.00 0.00 2.00 0.00 0.00 34.13 32.66 1wcq s GLU 518 CO 0.03 0.15 0.00 0.25 -0.56 0.00 0.00 175.26 175.13 1wcq n THR 519 N 3.63 0.00 -0.02 -1.70 -2.24 -1.23 -0.74 114.28 111.98 1wcq n THR 519 Ca -0.06 -0.08 -0.16 0.00 -2.27 0.00 0.00 64.05 61.48 1wcq n THR 519 Cb 0.52 0.53 -0.09 0.00 -2.10 0.00 0.00 70.33 69.19 1wcq n THR 519 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wcq h ALA 520 N 0.00 0.17 -0.01 6.98 0.00 -2.02 -3.36 119.26 121.01 1wcq h ALA 520 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1wcq h ALA 520 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wcq h ALA 520 CO 0.00 0.36 -0.34 0.54 0.00 0.00 0.00 179.25 179.81 1wcq n ARG 521 N -4.25 1.93 -3.61 0.00 5.12 -1.26 -4.99 116.66 109.61 1wcq n ARG 521 Ca -0.09 -0.63 -0.04 0.00 -1.93 0.00 0.00 57.85 55.17 1wcq n ARG 521 Cb 0.61 -1.20 -0.02 0.00 -1.16 0.00 0.00 32.46 30.69 1wcq n ARG 521 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1wcq s GLU 522 N -1.79 0.68 -1.04 5.56 -1.05 -1.26 -5.08 118.70 114.72 1wcq s GLU 522 Ca 0.11 -0.32 -0.20 0.00 -0.15 0.00 0.00 54.97 54.40 1wcq s GLU 522 Cb 0.11 0.27 0.09 0.00 -0.44 0.00 0.00 34.13 34.16 1wcq s GLU 522 CO 0.38 -0.31 1.38 0.34 0.95 0.00 0.00 175.26 178.01 1wcq s ASP 523 N -2.62 6.62 -0.31 0.83 -1.08 -1.26 -3.50 116.67 115.35 1wcq s ASP 523 Ca 0.10 -1.86 0.10 0.00 -0.52 0.00 0.00 52.55 50.37 1wcq s ASP 523 Cb 0.00 -2.51 0.64 0.00 -1.46 0.00 0.00 42.92 39.60 1wcq s ASP 523 CO -0.04 -1.28 1.67 0.61 0.52 0.00 0.00 175.17 176.65 1wcq n GLY 524 N 6.08 4.15 3.68 2.66 0.00 0.08 -4.63 105.19 117.21 1wcq n GLY 524 Ca 0.32 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 1wcq n GLY 524 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wcq n ARG 525 N -0.59 2.00 -0.11 1.61 1.74 -1.23 -1.01 116.66 119.07 1wcq n ARG 525 Ca 0.38 0.70 0.03 0.00 -0.77 0.00 0.00 57.85 58.19 1wcq n ARG 525 Cb 1.26 -2.26 0.34 0.00 -1.02 0.00 0.00 32.46 30.78 1wcq n ARG 525 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wcq h ALA 526 N 2.43 1.60 0.00 7.54 0.00 -1.92 -1.77 119.26 127.14 1wcq h ALA 526 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1wcq h ALA 526 Cb 1.29 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1wcq h ALA 526 CO 0.62 0.37 0.10 0.66 0.00 0.00 0.00 179.25 180.99 1wcq h SER 527 N 0.77 0.00 0.16 0.00 4.64 -1.96 -2.07 113.55 115.09 1wcq h SER 527 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1wcq h SER 527 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1wcq h SER 527 CO -0.05 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.50 1wcq n ASN 528 N -2.99 0.00 0.07 4.97 3.02 -0.67 -2.14 115.26 117.52 1wcq n ASN 528 Ca -0.03 0.48 0.13 0.00 -0.03 0.00 0.00 54.58 55.13 1wcq n ASN 528 Cb 0.16 -0.49 0.34 0.00 -0.61 0.00 0.00 39.78 39.18 1wcq n ASN 528 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1wcq n VAL 529 N -1.49 0.40 -1.75 2.41 0.24 -0.78 -4.07 118.33 113.29 1wcq n VAL 529 Ca 0.01 -0.23 -0.07 0.00 -2.04 0.00 0.00 64.34 62.01 1wcq n VAL 529 Cb 0.05 -0.36 0.13 0.00 -1.47 0.00 0.00 33.84 32.20 1wcq n VAL 529 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1wcq n ILE 530 N -2.07 2.37 0.03 1.34 -5.35 -0.91 -0.61 119.36 114.16 1wcq n ILE 530 Ca 0.05 -3.60 0.06 0.00 -0.27 0.00 0.00 62.75 58.99 1wcq n ILE 530 Cb 0.42 -0.61 0.14 0.00 -1.74 0.00 0.00 39.64 37.85 1wcq n ILE 530 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1wcq n ASP 531 N -0.96 2.75 -0.86 7.28 5.75 -1.25 -4.60 116.55 124.66 1wcq n ASP 531 Ca 0.30 -1.85 -0.11 0.00 -0.01 0.00 0.00 54.79 53.12 1wcq n ASP 531 Cb 0.82 -0.18 -0.05 0.00 -1.03 0.00 0.00 41.12 40.68 1wcq n ASP 531 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wcq n GLY 532 N 0.69 1.18 2.77 6.12 0.00 -1.26 -4.99 105.19 109.70 1wcq n GLY 532 Ca 0.11 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 1wcq n GLY 532 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wcq s ASN 533 N -2.87 3.67 0.00 1.61 3.84 -1.26 -5.00 114.94 114.93 1wcq s ASN 533 Ca 0.00 -1.32 0.14 0.00 0.21 0.00 0.00 52.86 51.88 1wcq s ASN 533 Cb 0.00 -0.84 0.58 0.00 -0.55 0.00 0.00 41.25 40.44 1wcq s ASN 533 CO 0.00 -0.35 1.44 -0.81 -2.79 0.00 0.00 177.10 174.58 1wcq n PRO 534 N 4.87 0.00 0.04 0.43 -0.04 -1.26 -1.75 135.00 137.29 1wcq n PRO 534 Ca -0.06 0.26 0.14 0.00 -0.04 0.00 0.00 63.50 63.80 1wcq n PRO 534 Cb 0.44 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 32.92 1wcq n PRO 534 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wcq n SER 535 N -1.50 0.35 -4.56 3.54 3.41 -1.26 -4.41 113.62 109.19 1wcq n SER 535 Ca 0.03 0.53 -0.33 0.00 -0.26 0.00 0.00 58.87 58.84 1wcq n SER 535 Cb 0.16 -0.62 -0.11 0.00 -0.26 0.00 0.00 64.21 63.38 1wcq n SER 535 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1wcq s THR 536 N -3.04 3.55 0.03 6.66 -4.23 -0.72 -4.95 115.64 112.93 1wcq s THR 536 Ca 0.13 -0.64 -0.02 0.00 -1.18 0.00 0.00 61.69 59.98 1wcq s THR 536 Cb 0.16 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 1wcq s THR 536 CO 0.56 0.52 0.01 0.72 -0.54 0.00 0.00 174.62 175.89 1wcq s PHE 537 N -0.86 0.27 0.08 3.99 -0.12 -1.26 -4.50 117.98 115.58 1wcq s PHE 537 Ca 0.14 -0.57 -0.31 0.00 -0.05 0.00 0.00 56.93 56.14 1wcq s PHE 537 Cb -0.11 -0.20 -0.08 0.00 -0.63 0.00 0.00 43.02 42.01 1wcq s PHE 537 CO 0.03 -0.26 1.48 -0.46 -0.05 0.00 0.00 175.22 175.96 1wcq s TRP 538 N -2.03 2.93 -0.10 3.49 -0.00 0.21 -4.05 118.94 119.38 1wcq s TRP 538 Ca -0.10 0.73 0.01 0.00 -0.00 0.00 0.00 56.10 56.74 1wcq s TRP 538 Cb -0.05 -3.77 0.02 0.00 -0.00 0.00 0.00 33.47 29.66 1wcq s TRP 538 CO -0.03 -2.87 -0.14 -1.58 -0.00 0.00 0.00 176.95 172.34 1wcq s HIS 539 N 1.80 1.82 0.94 5.86 5.65 -0.18 -1.16 115.29 130.02 1wcq s HIS 539 Ca 0.67 -0.84 -0.10 0.00 0.25 0.00 0.00 55.06 55.04 1wcq s HIS 539 Cb -0.37 -1.34 0.16 0.00 -1.18 0.00 0.00 32.58 29.85 1wcq s HIS 539 CO 0.30 -0.45 1.13 0.95 -0.65 0.00 0.00 174.74 176.02 1wcq s THR 540 N 1.04 2.06 0.30 0.89 -4.23 -0.29 -0.77 115.64 114.64 1wcq s THR 540 Ca -0.06 0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.17 1wcq s THR 540 Cb -0.15 -2.05 -0.11 0.00 1.34 0.00 0.00 72.50 71.54 1wcq s THR 540 CO -0.02 -0.03 1.56 -0.70 -0.54 0.00 0.00 174.62 174.90 1wcq s GLU 541 N -4.63 4.13 0.00 3.99 2.12 -1.26 -3.87 118.70 119.19 1wcq s GLU 541 Ca 0.67 2.55 0.00 0.00 0.36 0.00 0.00 54.97 58.55 1wcq s GLU 541 Cb -0.23 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.14 1wcq s GLU 541 CO 0.59 -0.60 0.00 -2.67 -0.54 0.00 0.00 175.26 172.04 1wcq n TRP 542 N 1.88 0.00 1.45 5.30 4.27 -1.26 -4.75 117.44 124.33 1wcq n TRP 542 Ca 0.07 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.82 1wcq n TRP 542 Cb 0.38 0.00 0.49 0.00 -1.36 0.00 0.00 31.31 30.82 1wcq n TRP 542 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 1wcq n SER 543 N -0.77 1.45 -4.44 -0.67 3.41 -1.26 -4.62 113.62 106.72 1wcq n SER 543 Ca 0.00 -1.41 -0.33 0.00 -0.26 0.00 0.00 58.87 56.87 1wcq n SER 543 Cb 0.00 0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 63.84 1wcq n SER 543 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1wcq s ARG 544 N -2.08 2.68 0.35 4.33 0.52 -1.26 -5.04 118.95 118.45 1wcq s ARG 544 Ca 0.36 -0.71 0.07 0.00 -0.52 0.00 0.00 55.73 54.93 1wcq s ARG 544 Cb 0.21 -2.41 0.65 0.00 0.52 0.00 0.00 34.95 33.91 1wcq s ARG 544 CO 0.36 0.52 1.85 0.00 0.02 0.00 0.00 175.30 178.05 1wcq h ALA 545 N 5.67 1.36 0.00 2.13 0.00 -1.98 -1.91 119.26 124.53 1wcq h ALA 545 Ca -0.41 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1wcq h ALA 545 Cb 1.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1wcq h ALA 545 CO 0.51 0.43 0.00 -0.40 0.00 0.00 0.00 179.25 179.80 1wcq n ASP 546 N -4.21 0.00 -4.64 0.00 5.68 -1.26 -4.90 116.55 107.22 1wcq n ASP 546 Ca -0.00 -0.96 -0.41 0.00 -0.50 0.00 0.00 54.79 52.92 1wcq n ASP 546 Cb 0.32 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.31 1wcq n ASP 546 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wcq n ALA 547 N -0.84 0.48 -1.65 2.12 0.00 -0.72 -4.95 120.51 114.95 1wcq n ALA 547 Ca 0.12 0.21 -0.35 0.00 0.00 0.00 0.00 53.44 53.42 1wcq n ALA 547 Cb 0.05 -2.13 0.04 0.00 0.00 0.00 0.00 19.45 17.41 1wcq n ALA 547 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wcq s PRO 548 N -2.15 2.86 0.00 0.00 0.04 -1.26 -5.07 135.00 129.43 1wcq s PRO 548 Ca 0.64 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1wcq s PRO 548 Cb -0.53 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1wcq s PRO 548 CO 0.56 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 176.75 1wcq n GLY 549 N 0.26 0.32 3.79 0.56 0.00 -1.26 -4.86 105.19 104.00 1wcq n GLY 549 Ca 0.13 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 1wcq n GLY 549 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wcq s TYR 550 N 0.77 2.83 0.56 1.61 2.02 -1.25 -4.55 117.35 119.35 1wcq s TYR 550 Ca 0.00 1.53 -0.16 0.00 -0.37 0.00 0.00 57.07 58.07 1wcq s TYR 550 Cb 0.00 -3.10 -0.05 0.00 -0.40 0.00 0.00 41.96 38.41 1wcq s TYR 550 CO 0.00 -1.33 1.03 -1.25 -1.57 0.00 0.00 175.55 172.43 1wcq s PRO 551 N -3.92 3.57 0.45 -1.71 0.04 -1.26 -5.08 135.00 127.09 1wcq s PRO 551 Ca 0.66 1.12 0.06 0.00 0.04 0.00 0.00 61.00 62.88 1wcq s PRO 551 Cb -0.18 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1wcq s PRO 551 CO 0.36 -0.60 0.23 -1.01 0.04 0.00 0.00 177.00 176.02 1wcq s HIS 552 N -2.50 2.34 -0.25 0.56 3.76 -0.13 -4.97 115.29 114.11 1wcq s HIS 552 Ca 0.62 -0.67 -0.26 0.00 -0.15 0.00 0.00 55.06 54.61 1wcq s HIS 552 Cb -0.14 -1.94 0.09 0.00 1.11 0.00 0.00 32.58 31.70 1wcq s HIS 552 CO 0.34 0.02 0.82 0.50 -0.85 0.00 0.00 174.74 175.58 1wcq s ARG 553 N -4.00 0.75 -0.19 1.40 3.52 -1.26 -1.54 118.95 117.62 1wcq s ARG 553 Ca 0.37 0.78 -0.12 0.00 -0.13 0.00 0.00 55.73 56.62 1wcq s ARG 553 Cb 0.02 0.36 0.06 0.00 -1.56 0.00 0.00 34.95 33.83 1wcq s ARG 553 CO 0.21 -0.11 0.48 -1.50 -0.81 0.00 0.00 175.30 173.57 1wcq s ILE 554 N 0.14 -0.01 0.03 4.11 2.07 -0.88 -1.75 121.20 124.91 1wcq s ILE 554 Ca -0.00 0.05 0.05 0.00 -1.41 0.00 0.00 60.65 59.34 1wcq s ILE 554 Cb -0.04 -0.70 -0.02 0.00 0.13 0.00 0.00 42.46 41.83 1wcq s ILE 554 CO -0.00 0.02 -0.14 -0.44 -1.91 0.00 0.00 174.94 172.47 1wcq s SER 555 N 1.17 1.67 -0.05 4.50 0.01 -0.48 -0.93 113.70 119.58 1wcq s SER 555 Ca -0.07 -0.42 0.06 0.00 1.31 0.00 0.00 55.95 56.83 1wcq s SER 555 Cb -0.07 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 1wcq s SER 555 CO -0.11 0.06 -0.24 -0.76 0.41 0.00 0.00 173.24 172.60 1wcq s LEU 556 N -0.98 2.05 -0.30 2.44 1.43 0.43 -0.63 118.68 123.12 1wcq s LEU 556 Ca 0.02 -0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 52.42 1wcq s LEU 556 Cb -0.07 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 1wcq s LEU 556 CO 0.01 0.24 0.70 -0.62 0.23 0.00 0.00 176.35 176.91 1wcq s ASP 557 N -0.17 6.58 0.06 2.29 -1.08 0.15 -2.13 116.67 122.37 1wcq s ASP 557 Ca -0.03 0.58 0.26 0.00 -0.52 0.00 0.00 52.55 52.85 1wcq s ASP 557 Cb -0.13 -2.37 1.06 0.00 -1.46 0.00 0.00 42.92 40.02 1wcq s ASP 557 CO 0.03 -0.52 1.83 0.18 0.52 0.00 0.00 175.17 177.21 1wcq n LEU 558 N 5.99 0.21 0.00 -1.34 4.77 0.70 -0.88 117.00 126.46 1wcq n LEU 558 Ca 0.01 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1wcq n LEU 558 Cb 0.48 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1wcq n LEU 558 CO 0.47 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1wcq n GLY 559 N 1.22 1.16 0.00 -0.72 0.00 -1.25 -4.25 105.19 101.35 1wcq n GLY 559 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1wcq n GLY 559 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wcq n GLY 560 N -2.00 1.15 3.72 -0.02 0.00 -1.26 -5.05 105.19 101.73 1wcq n GLY 560 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1wcq n GLY 560 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wcq s THR 561 N -2.00 4.56 0.02 2.61 2.01 -1.26 -4.44 115.64 117.14 1wcq s THR 561 Ca 0.00 1.98 -0.02 0.00 0.31 0.00 0.00 61.69 63.96 1wcq s THR 561 Cb 0.00 -4.27 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 1wcq s THR 561 CO 0.00 0.23 0.02 -1.00 -0.69 0.00 0.00 174.62 173.18 1wcq s HIS 562 N 0.47 0.21 -0.29 4.92 4.02 -0.21 -4.91 115.29 119.50 1wcq s HIS 562 Ca 0.50 -0.45 -0.29 0.00 1.02 0.00 0.00 55.06 55.84 1wcq s HIS 562 Cb -0.23 -0.16 -0.01 0.00 -1.02 0.00 0.00 32.58 31.16 1wcq s HIS 562 CO 0.29 -0.23 1.44 0.99 1.02 0.00 0.00 174.74 178.25 1wcq s THR 563 N -1.59 3.93 0.16 1.30 2.01 -1.26 -1.20 115.64 119.00 1wcq s THR 563 Ca -0.14 1.04 0.10 0.00 0.31 0.00 0.00 61.69 62.99 1wcq s THR 563 Cb -0.08 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1wcq s THR 563 CO -0.01 -0.45 -0.22 0.27 -0.69 0.00 0.00 174.62 173.52 1wcq s ILE 564 N 4.88 2.08 0.00 1.82 -4.36 0.11 -1.50 121.20 124.23 1wcq s ILE 564 Ca 0.63 -1.89 0.00 0.00 -0.26 0.00 0.00 60.65 59.13 1wcq s ILE 564 Cb -0.19 -1.94 0.00 0.00 1.25 0.00 0.00 42.46 41.58 1wcq s ILE 564 CO 0.27 -0.14 0.40 -1.54 0.24 0.00 0.00 174.94 174.17 1wcq n SER 565 N 0.48 0.00 -3.60 4.36 3.41 0.65 -1.71 113.62 117.22 1wcq n SER 565 Ca -0.14 -1.10 -0.04 0.00 -0.26 0.00 0.00 58.87 57.32 1wcq n SER 565 Cb 0.56 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1wcq n SER 565 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wcq s GLY 566 N -0.10 -0.32 0.03 5.00 0.00 -1.19 -1.25 107.32 109.49 1wcq s GLY 566 Ca 0.00 1.43 0.08 0.00 0.00 0.00 0.00 44.72 46.23 1wcq s GLY 566 CO 0.00 0.46 -0.23 -2.27 0.00 0.00 0.00 173.10 171.06 1wcq s LEU 567 N -2.31 2.34 -0.14 0.66 2.96 0.84 -0.18 118.68 122.85 1wcq s LEU 567 Ca 0.10 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1wcq s LEU 567 Cb -0.00 -1.39 -0.00 0.00 0.50 0.00 0.00 46.19 45.30 1wcq s LEU 567 CO -0.05 0.27 -0.17 -1.10 -1.32 0.00 0.00 176.35 173.99 1wcq s GLN 568 N -1.20 3.20 -0.17 1.98 -0.21 0.60 -0.82 119.66 123.05 1wcq s GLN 568 Ca 0.12 -0.77 -0.03 0.00 0.02 0.00 0.00 55.36 54.70 1wcq s GLN 568 Cb -0.10 -2.55 -0.02 0.00 1.00 0.00 0.00 33.01 31.33 1wcq s GLN 568 CO 0.03 0.08 -0.05 -0.47 -2.12 0.00 0.00 175.29 172.76 1wcq s TYR 569 N 0.64 2.97 -0.19 0.91 5.04 -0.17 -0.98 117.35 125.57 1wcq s TYR 569 Ca -0.09 -0.49 -0.01 0.00 -2.44 0.00 0.00 57.07 54.03 1wcq s TYR 569 Cb -0.16 -1.98 0.00 0.00 0.35 0.00 0.00 41.96 40.18 1wcq s TYR 569 CO 0.02 -0.18 -0.12 0.99 -1.34 0.00 0.00 175.55 174.92 1wcq s THR 570 N 0.63 2.82 0.82 4.34 2.01 0.45 -0.57 115.64 126.14 1wcq s THR 570 Ca -0.03 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.16 1wcq s THR 570 Cb -0.15 -2.23 0.09 0.00 0.01 0.00 0.00 72.50 70.22 1wcq s THR 570 CO 0.02 0.48 1.13 0.00 -0.69 0.00 0.00 174.62 175.57 1wcq s ARG 571 N 1.22 1.74 0.28 4.92 1.70 -1.26 -0.65 118.95 126.90 1wcq s ARG 571 Ca 0.02 1.43 -0.30 0.00 -0.47 0.00 0.00 55.73 56.41 1wcq s ARG 571 Cb -0.14 -1.82 -0.12 0.00 -0.57 0.00 0.00 34.95 32.30 1wcq s ARG 571 CO -0.05 -2.08 1.52 -2.13 -1.08 0.00 0.00 175.30 171.48 1wcq n ARG 572 N -3.65 2.47 0.00 3.89 0.63 -1.25 -4.08 116.66 114.66 1wcq n ARG 572 Ca 0.11 0.88 -0.04 0.00 -0.92 0.00 0.00 57.85 57.88 1wcq n ARG 572 Cb 0.52 -2.61 -0.11 0.00 0.45 0.00 0.00 32.46 30.71 1wcq n ARG 572 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1wcq n GLN 573 N 1.99 0.63 -0.27 -0.14 1.13 -1.26 -4.31 117.38 115.16 1wcq n GLN 573 Ca 0.09 0.22 0.07 0.00 -1.94 0.00 0.00 57.00 55.45 1wcq n GLN 573 Cb 0.35 -1.77 0.19 0.00 0.11 0.00 0.00 30.24 29.11 1wcq n GLN 573 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1wcq n ASN 574 N -2.92 3.18 -3.61 1.08 6.94 -1.26 -4.93 115.26 113.74 1wcq n ASN 574 Ca -0.14 -2.73 -0.16 0.00 -0.02 0.00 0.00 54.58 51.53 1wcq n ASN 574 Cb 0.93 -0.40 -0.07 0.00 -2.36 0.00 0.00 39.78 37.88 1wcq n ASN 574 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1wcq s SER 575 N -1.85 -0.52 0.00 0.53 0.15 -1.26 -5.09 113.70 105.66 1wcq s SER 575 Ca 0.32 0.58 0.04 0.00 0.70 0.00 0.00 55.95 57.59 1wcq s SER 575 Cb 0.25 0.53 0.03 0.00 -1.71 0.00 0.00 66.02 65.12 1wcq s SER 575 CO 0.08 -0.52 0.59 0.00 1.20 0.00 0.00 173.24 174.59 1wcq n ALA 576 N 1.19 2.49 -1.02 5.45 0.00 -1.26 -4.70 120.51 122.66 1wcq n ALA 576 Ca -0.19 -0.50 0.04 0.00 0.00 0.00 0.00 53.44 52.79 1wcq n ALA 576 Cb 0.57 -0.14 0.31 0.00 0.00 0.00 0.00 19.45 20.18 1wcq n ALA 576 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wcq n ASN 577 N 0.12 4.54 -2.65 0.00 4.13 -1.26 -4.37 115.26 115.78 1wcq n ASN 577 Ca 0.02 -3.11 -0.05 0.00 1.68 0.00 0.00 54.58 53.13 1wcq n ASN 577 Cb 0.10 -0.64 0.04 0.00 -1.54 0.00 0.00 39.78 37.74 1wcq n ASN 577 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1wcq n GLU 578 N -0.16 2.10 -3.59 3.52 4.71 -1.26 -4.69 120.64 121.26 1wcq n GLU 578 Ca 0.29 -3.63 -0.36 0.00 -0.01 0.00 0.00 57.16 53.45 1wcq n GLU 578 Cb 1.11 -1.73 -0.07 0.00 -1.01 0.00 0.00 31.44 29.75 1wcq n GLU 578 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1wcq s GLN 579 N -3.72 4.14 0.24 3.49 -0.21 -1.26 0.08 119.66 122.43 1wcq s GLN 579 Ca 0.32 0.06 -0.30 0.00 0.02 0.00 0.00 55.36 55.45 1wcq s GLN 579 Cb 0.34 -3.39 -0.10 0.00 1.00 0.00 0.00 33.01 30.86 1wcq s GLN 579 CO -0.03 0.33 1.51 0.08 -2.12 0.00 0.00 175.29 175.07 1wcq s VAL 580 N 0.19 2.50 0.00 1.09 1.01 -1.26 -0.54 120.40 123.39 1wcq s VAL 580 Ca 0.16 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1wcq s VAL 580 Cb -0.13 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1wcq s VAL 580 CO 0.04 0.06 0.00 0.00 0.00 0.00 0.00 175.10 175.19 1wcq n ALA 581 N 2.73 0.41 -2.05 5.51 0.00 -0.01 -4.50 120.51 122.61 1wcq n ALA 581 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.12 1wcq n ALA 581 Cb 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.80 1wcq n ALA 581 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wcq s ASP 582 N 0.10 7.12 0.06 0.00 1.01 -1.24 -1.03 116.67 122.69 1wcq s ASP 582 Ca 0.00 2.21 -0.04 0.00 0.71 0.00 0.00 52.55 55.44 1wcq s ASP 582 Cb 0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 1wcq s ASP 582 CO 0.00 -0.34 0.05 -0.72 0.21 0.00 0.00 175.17 174.37 1wcq s TYR 583 N -0.12 0.34 0.11 4.23 -0.85 -0.47 -0.54 117.35 120.05 1wcq s TYR 583 Ca 0.52 -0.79 0.05 0.00 -0.52 0.00 0.00 57.07 56.32 1wcq s TYR 583 Cb -0.32 -0.24 -0.04 0.00 0.38 0.00 0.00 41.96 41.74 1wcq s TYR 583 CO 0.37 -0.41 -0.12 -1.21 -1.52 0.00 0.00 175.55 172.66 1wcq s GLU 584 N -3.48 0.92 -0.06 -3.49 2.02 -0.59 -2.36 118.70 111.67 1wcq s GLU 584 Ca 0.03 -1.20 0.05 0.00 0.02 0.00 0.00 54.97 53.86 1wcq s GLU 584 Cb 0.04 -0.68 -0.00 0.00 0.10 0.00 0.00 34.13 33.59 1wcq s GLU 584 CO -0.09 0.12 -0.21 0.42 0.02 0.00 0.00 175.26 175.53 1wcq s ILE 585 N -2.35 1.73 0.13 -1.63 1.01 -0.80 -0.47 121.20 118.82 1wcq s ILE 585 Ca 0.07 -0.87 0.10 0.00 0.00 0.00 0.00 60.65 59.96 1wcq s ILE 585 Cb -0.03 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 1wcq s ILE 585 CO 0.01 0.49 -0.24 -0.31 0.00 0.00 0.00 174.94 174.89 1wcq s TYR 586 N 0.12 2.38 0.26 3.97 2.02 -0.22 0.36 117.35 126.24 1wcq s TYR 586 Ca -0.08 -0.34 0.11 0.00 -0.37 0.00 0.00 57.07 56.39 1wcq s TYR 586 Cb -0.14 -1.27 -0.05 0.00 -0.40 0.00 0.00 41.96 40.10 1wcq s TYR 586 CO 0.04 0.37 -0.15 0.95 -1.57 0.00 0.00 175.55 175.19 1wcq s THR 587 N -1.14 2.73 0.05 -0.71 -4.23 -0.65 -0.22 115.64 111.46 1wcq s THR 587 Ca 0.16 -2.22 -0.07 0.00 -1.18 0.00 0.00 61.69 58.38 1wcq s THR 587 Cb -0.10 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.31 1wcq s THR 587 CO 0.08 -0.35 0.13 -0.55 -0.54 0.00 0.00 174.62 173.38 1wcq s SER 588 N -3.43 0.15 -0.14 3.99 0.15 -0.49 -0.92 113.70 113.02 1wcq s SER 588 Ca 0.29 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.41 1wcq s SER 588 Cb -0.06 0.26 -0.24 0.00 -1.71 0.00 0.00 66.02 64.28 1wcq s SER 588 CO 0.16 -0.56 0.29 0.18 1.20 0.00 0.00 173.24 174.50 1wcq n LEU 589 N 0.56 2.06 -0.00 3.45 4.77 -1.26 -0.82 117.00 125.76 1wcq n LEU 589 Ca -0.18 0.17 0.07 0.00 -0.03 0.00 0.00 56.01 56.04 1wcq n LEU 589 Cb 0.59 -0.63 -0.10 0.00 -2.33 0.00 0.00 43.42 40.95 1wcq n LEU 589 CO 0.23 0.73 -0.24 -0.46 -1.33 0.00 0.00 177.39 176.32 1wcq n ASN 590 N -3.27 0.94 0.00 -1.43 0.23 -1.26 -4.42 115.26 106.04 1wcq n ASN 590 Ca -0.31 -0.59 0.00 0.00 -0.53 0.00 0.00 54.58 53.15 1wcq n ASN 590 Cb 1.05 1.22 0.00 0.00 -2.08 0.00 0.00 39.78 39.97 1wcq n ASN 590 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wcq n GLY 591 N 1.44 1.08 0.12 4.83 0.00 -1.26 -4.87 105.19 106.53 1wcq n GLY 591 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1wcq n GLY 591 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wcq n THR 592 N -2.00 0.00 -3.63 2.61 -2.24 -1.26 -4.99 114.28 102.76 1wcq n THR 592 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1wcq n THR 592 Cb 0.00 -0.51 -0.11 0.00 -2.10 0.00 0.00 70.33 67.60 1wcq n THR 592 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1wcq s THR 593 N -1.86 4.95 -0.14 4.28 -1.32 -1.26 -5.09 115.64 115.20 1wcq s THR 593 Ca 0.00 -0.07 -0.05 0.00 -1.21 0.00 0.00 61.69 60.36 1wcq s THR 593 Cb 0.00 -3.40 -0.04 0.00 -1.51 0.00 0.00 72.50 67.55 1wcq s THR 593 CO 0.00 0.20 0.04 0.26 -2.21 0.00 0.00 174.62 172.92 1wcq s TRP 594 N 1.70 3.24 -0.05 9.09 0.52 -1.26 -4.43 118.94 127.75 1wcq s TRP 594 Ca 0.06 0.12 -0.02 0.00 0.02 0.00 0.00 56.10 56.29 1wcq s TRP 594 Cb -0.16 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.16 1wcq s TRP 594 CO 0.08 0.29 0.05 -0.51 0.02 0.00 0.00 176.95 176.89 1wcq s ASP 595 N -0.16 5.54 0.00 2.95 1.01 -0.09 -4.97 116.67 120.95 1wcq s ASP 595 Ca 0.06 0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.50 1wcq s ASP 595 Cb -0.12 -1.60 0.00 0.00 1.01 0.00 0.00 42.92 42.21 1wcq s ASP 595 CO 0.02 0.34 0.00 0.61 0.21 0.00 0.00 175.17 176.34 1wcq n GLY 596 N 1.70 0.22 3.71 0.21 0.00 -1.26 -1.64 105.19 108.13 1wcq n GLY 596 Ca -0.16 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1wcq n GLY 596 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1wcq s PRO 597 N -1.47 4.35 0.37 1.61 0.02 -1.26 -5.07 135.00 133.55 1wcq s PRO 597 Ca 0.00 1.96 0.22 0.00 0.02 0.00 0.00 61.00 63.19 1wcq s PRO 597 Cb 0.00 -3.34 0.24 0.00 0.02 0.00 0.00 34.50 31.42 1wcq s PRO 597 CO 0.00 -0.40 1.48 -0.39 -0.33 0.00 0.00 177.00 177.36 1wcq h VAL 598 N 4.46 0.13 -3.67 3.83 -1.51 -0.32 -3.46 116.25 115.70 1wcq h VAL 598 Ca -0.41 -1.19 -0.07 0.00 -1.23 0.00 0.00 66.70 63.79 1wcq h VAL 598 Cb 1.20 1.98 -0.12 0.00 -2.13 0.00 0.00 31.29 32.22 1wcq h VAL 598 CO 0.85 0.07 -0.22 0.00 -1.23 0.00 0.00 177.57 177.05 1wcq s ALA 599 N -3.19 -0.38 -0.05 5.19 0.00 -1.24 -4.70 121.76 117.38 1wcq s ALA 599 Ca 0.05 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 1wcq s ALA 599 Cb 0.06 0.76 0.11 0.00 0.00 0.00 0.00 23.12 24.05 1wcq s ALA 599 CO 0.70 -0.65 0.90 -1.54 0.00 0.00 0.00 175.76 175.17 1wcq s SER 600 N -2.90 -0.39 0.00 0.00 1.04 -1.26 -1.90 113.70 108.29 1wcq s SER 600 Ca 0.11 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1wcq s SER 600 Cb 0.02 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1wcq s SER 600 CO -0.05 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.24 1wcq n GLY 601 N 0.14 -0.91 2.75 7.32 0.00 -0.99 -5.00 105.19 108.49 1wcq n GLY 601 Ca -0.10 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 1wcq n GLY 601 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wcq s ARG 602 N -1.04 0.61 0.82 1.61 3.52 -1.26 -1.37 118.95 121.85 1wcq s ARG 602 Ca 0.00 -0.16 -0.12 0.00 -0.13 0.00 0.00 55.73 55.32 1wcq s ARG 602 Cb 0.00 -1.57 0.09 0.00 -1.56 0.00 0.00 34.95 31.91 1wcq s ARG 602 CO 0.00 -0.48 1.18 -0.06 -0.81 0.00 0.00 175.30 175.13 1wcq s PHE 603 N 1.93 1.82 0.53 5.12 0.08 -0.19 -4.95 117.98 122.31 1wcq s PHE 603 Ca 0.02 1.69 0.02 0.00 0.12 0.00 0.00 56.93 58.79 1wcq s PHE 603 Cb -0.15 -3.42 0.10 0.00 -0.57 0.00 0.00 43.02 38.98 1wcq s PHE 603 CO -0.07 -2.75 0.73 0.25 -0.10 0.00 0.00 175.22 173.27 1wcq n THR 604 N -3.50 0.00 0.20 0.64 -2.24 -1.26 -4.69 114.28 103.43 1wcq n THR 604 Ca 0.13 -1.31 0.05 0.00 -2.27 0.00 0.00 64.05 60.65 1wcq n THR 604 Cb 0.51 -0.88 0.22 0.00 -2.10 0.00 0.00 70.33 68.08 1wcq n THR 604 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wcq n THR 605 N -2.35 1.18 -1.75 4.28 -2.24 -1.26 -4.95 114.28 107.18 1wcq n THR 605 Ca 0.13 -0.72 -0.42 0.00 -2.27 0.00 0.00 64.05 60.77 1wcq n THR 605 Cb 0.46 -0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.60 1wcq n THR 605 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wcq n SER 606 N 0.54 3.70 0.25 3.42 2.88 -1.26 -4.93 113.62 118.22 1wcq n SER 606 Ca 0.16 1.19 0.14 0.00 -1.33 0.00 0.00 58.87 59.03 1wcq n SER 606 Cb 0.62 -1.59 0.40 0.00 -0.75 0.00 0.00 64.21 62.88 1wcq n SER 606 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1wcq h LEU 607 N 3.73 0.00-10.41 2.46 3.38 -1.95 -3.41 115.31 109.11 1wcq h LEU 607 Ca -0.49 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.00 1wcq h LEU 607 Cb 1.24 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.05 1wcq h LEU 607 CO 0.71 0.00 0.29 0.00 0.09 0.00 0.00 178.44 179.52 1wcq s ALA 608 N -3.41 3.15 0.45 1.53 0.00 -1.26 -4.62 121.76 117.61 1wcq s ALA 608 Ca 0.04 -0.44 -0.24 0.00 0.00 0.00 0.00 51.96 51.32 1wcq s ALA 608 Cb 0.07 -2.82 -0.09 0.00 0.00 0.00 0.00 23.12 20.28 1wcq s ALA 608 CO 0.61 -0.82 1.25 -2.30 0.00 0.00 0.00 175.76 174.51 1wcq n PRO 609 N -2.70 1.80 -4.34 0.00 -0.02 -1.26 -4.71 135.00 123.76 1wcq n PRO 609 Ca 0.05 0.65 -0.29 0.00 -2.02 0.00 0.00 63.50 61.89 1wcq n PRO 609 Cb 0.56 -2.39 -0.17 0.00 -0.02 0.00 0.00 33.50 31.49 1wcq n PRO 609 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1wcq s GLN 610 N -2.35 2.17 0.12 -0.52 -0.21 0.27 -4.91 119.66 114.23 1wcq s GLN 610 Ca 0.64 -0.54 -0.23 0.00 0.02 0.00 0.00 55.36 55.25 1wcq s GLN 610 Cb -0.49 -1.90 -0.07 0.00 1.00 0.00 0.00 33.01 31.55 1wcq s GLN 610 CO 0.56 -0.11 0.70 1.03 -2.12 0.00 0.00 175.29 175.35 1wcq s ARG 611 N 1.12 4.44 -0.25 2.91 0.52 -1.26 -1.00 118.95 125.43 1wcq s ARG 611 Ca -0.04 1.00 0.01 0.00 -0.52 0.00 0.00 55.73 56.19 1wcq s ARG 611 Cb -0.14 -3.27 0.06 0.00 0.52 0.00 0.00 34.95 32.13 1wcq s ARG 611 CO -0.04 0.56 -0.05 0.00 0.02 0.00 0.00 175.30 175.80 1wcq s ALA 612 N -1.01 2.08 0.14 2.13 0.00 0.00 -5.00 121.76 120.10 1wcq s ALA 612 Ca 0.34 -1.50 0.04 0.00 0.00 0.00 0.00 51.96 50.84 1wcq s ALA 612 Cb -0.22 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 1wcq s ALA 612 CO 0.23 -1.25 0.17 0.14 0.00 0.00 0.00 175.76 175.05 1wcq s VAL 613 N 1.34 4.74 0.06 0.00 -7.23 -1.26 -0.11 120.40 117.94 1wcq s VAL 613 Ca -0.04 -0.90 -0.10 0.00 -1.81 0.00 0.00 61.98 59.12 1wcq s VAL 613 Cb -0.19 -3.40 0.01 0.00 0.56 0.00 0.00 36.38 33.36 1wcq s VAL 613 CO -0.07 -0.05 0.22 0.72 -0.31 0.00 0.00 175.10 175.61 1wcq s PHE 614 N -1.68 0.05 0.11 2.82 -0.12 -0.38 -4.78 117.98 114.00 1wcq s PHE 614 Ca 0.32 -0.34 -0.34 0.00 -0.05 0.00 0.00 56.93 56.52 1wcq s PHE 614 Cb -0.11 -0.00 -0.14 0.00 -0.63 0.00 0.00 43.02 42.14 1wcq s PHE 614 CO 0.25 -0.50 1.61 -2.30 -0.05 0.00 0.00 175.22 174.23 1wcq n PRO 615 N 0.35 2.06 -1.46 1.99 -0.02 -1.26 -4.56 135.00 132.10 1wcq n PRO 615 Ca -0.17 0.74 -0.46 0.00 -2.02 0.00 0.00 63.50 61.60 1wcq n PRO 615 Cb 0.60 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 1wcq n PRO 615 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wcq n ALA 616 N 3.88 -1.90 -3.48 3.55 0.00 -1.26 -4.89 120.51 116.41 1wcq n ALA 616 Ca 0.18 0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.87 1wcq n ALA 616 Cb 0.28 -1.75 -0.03 0.00 0.00 0.00 0.00 19.45 17.95 1wcq n ALA 616 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1wcq s ARG 617 N -1.25 1.00 0.47 0.00 1.70 -0.69 -4.97 118.95 115.22 1wcq s ARG 617 Ca 0.62 -0.24 -0.13 0.00 -0.47 0.00 0.00 55.73 55.51 1wcq s ARG 617 Cb -0.79 0.46 -0.07 0.00 -0.57 0.00 0.00 34.95 33.98 1wcq s ARG 617 CO 0.58 -0.41 0.88 -0.51 -1.08 0.00 0.00 175.30 174.76 1wcq s ASP 618 N -2.25 6.53 -0.29 -2.89 1.11 -1.26 0.06 116.67 117.67 1wcq s ASP 618 Ca 0.00 1.33 -0.25 0.00 0.18 0.00 0.00 52.55 53.82 1wcq s ASP 618 Cb -0.01 -2.41 0.18 0.00 1.07 0.00 0.00 42.92 41.75 1wcq s ASP 618 CO -0.07 -0.53 1.36 0.00 1.18 0.00 0.00 175.17 177.11 1wcq s ALA 619 N -2.56 -2.19 -0.09 5.23 0.00 -0.34 -4.83 121.76 116.97 1wcq s ALA 619 Ca 0.54 1.73 0.20 0.00 0.00 0.00 0.00 51.96 54.44 1wcq s ALA 619 Cb -0.10 -1.72 -0.30 0.00 0.00 0.00 0.00 23.12 20.99 1wcq s ALA 619 CO 0.34 -0.13 0.33 -2.13 0.00 0.00 0.00 175.76 174.16 1wcq n ARG 620 N 1.77 0.68 -4.27 0.00 0.63 0.00 -1.05 116.66 114.42 1wcq n ARG 620 Ca -0.11 -0.13 -0.22 0.00 -0.92 0.00 0.00 57.85 56.47 1wcq n ARG 620 Cb 0.57 -1.52 -0.12 0.00 0.45 0.00 0.00 32.46 31.84 1wcq n ARG 620 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1wcq s TYR 621 N -3.14 1.68 0.02 -0.14 2.02 -0.53 -0.21 117.35 117.05 1wcq s TYR 621 Ca -0.09 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.20 1wcq s TYR 621 Cb 0.11 -0.91 -0.01 0.00 -0.40 0.00 0.00 41.96 40.75 1wcq s TYR 621 CO 0.87 0.20 -0.09 -1.50 -1.57 0.00 0.00 175.55 173.46 1wcq s ILE 622 N -1.37 0.69 -0.07 2.71 2.07 -0.91 -1.39 121.20 122.94 1wcq s ILE 622 Ca 0.07 -0.66 0.02 0.00 -1.41 0.00 0.00 60.65 58.67 1wcq s ILE 622 Cb -0.09 -0.64 0.01 0.00 0.13 0.00 0.00 42.46 41.88 1wcq s ILE 622 CO 0.04 -0.01 -0.11 -0.60 -1.91 0.00 0.00 174.94 172.35 1wcq s ARG 623 N -0.74 1.62 -0.21 3.50 3.52 0.69 -0.43 118.95 126.90 1wcq s ARG 623 Ca -0.01 -0.38 -0.08 0.00 -0.13 0.00 0.00 55.73 55.13 1wcq s ARG 623 Cb -0.06 -1.37 -0.04 0.00 -1.56 0.00 0.00 34.95 31.92 1wcq s ARG 623 CO 0.00 0.00 0.10 -1.17 -0.81 0.00 0.00 175.30 173.42 1wcq s LEU 624 N 0.74 3.87 -0.22 -0.88 2.96 -0.11 -1.05 118.68 124.00 1wcq s LEU 624 Ca -0.13 0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 53.79 1wcq s LEU 624 Cb -0.15 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 1wcq s LEU 624 CO 0.03 0.11 0.00 -0.69 -1.32 0.00 0.00 176.35 174.48 1wcq s VAL 625 N 0.74 3.86 -0.41 1.68 1.01 0.38 -2.06 120.40 125.59 1wcq s VAL 625 Ca 0.05 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 1wcq s VAL 625 Cb -0.13 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1wcq s VAL 625 CO 0.02 0.40 0.38 0.00 0.00 0.00 0.00 175.10 175.90 1wcq s ALA 626 N 1.29 3.45 -0.05 5.51 0.00 -0.59 -1.53 121.76 129.84 1wcq s ALA 626 Ca 0.04 -1.57 0.13 0.00 0.00 0.00 0.00 51.96 50.55 1wcq s ALA 626 Cb -0.15 -2.98 -0.11 0.00 0.00 0.00 0.00 23.12 19.89 1wcq s ALA 626 CO 0.01 -1.51 1.14 -0.07 0.00 0.00 0.00 175.76 175.33 1wcq h LEU 627 N 8.88 0.00 -7.49 0.00 3.38 -1.10 -0.31 115.31 118.67 1wcq h LEU 627 Ca -0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1wcq h LEU 627 Cb 1.12 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.76 1wcq h LEU 627 CO 0.76 0.74 0.05 -0.94 0.09 0.00 0.00 178.44 179.14 1wcq s SER 628 N -6.32 -0.31 0.03 -0.43 1.04 -1.16 -4.50 113.70 102.04 1wcq s SER 628 Ca 0.00 -0.36 -0.01 0.00 0.48 0.00 0.00 55.95 56.07 1wcq s SER 628 Cb 0.09 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 1wcq s SER 628 CO 0.79 -1.00 0.16 -0.70 0.98 0.00 0.00 173.24 173.48 1wcq s GLU 629 N -3.84 3.31 0.29 4.02 -6.30 -1.26 -0.83 118.70 114.10 1wcq s GLU 629 Ca 0.06 -0.43 0.04 0.00 -2.50 0.00 0.00 54.97 52.14 1wcq s GLU 629 Cb -0.01 -2.99 0.76 0.00 0.00 0.00 0.00 34.13 31.89 1wcq s GLU 629 CO -0.07 0.63 1.66 1.96 0.02 0.00 0.00 175.26 179.47 1wcq h GLN 630 N 3.54 0.26 0.00 4.30 1.08 -1.07 -2.60 115.11 120.62 1wcq h GLN 630 Ca -0.47 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 56.70 1wcq h GLN 630 Cb 1.17 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.52 1wcq h GLN 630 CO 0.70 0.17 -0.43 0.25 -0.95 0.00 0.00 178.83 178.56 1wcq n THR 631 N -5.16 1.99 -1.57 -0.54 -2.24 -1.26 -4.98 114.28 100.52 1wcq n THR 631 Ca 0.23 -2.88 -0.04 0.00 -2.27 0.00 0.00 64.05 59.09 1wcq n THR 631 Cb 0.71 -0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.78 1wcq n THR 631 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wcq n GLY 632 N -1.07 0.46 3.89 3.38 0.00 -0.98 -5.04 105.19 105.83 1wcq n GLY 632 Ca 0.17 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 1wcq n GLY 632 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wcq s HIS 633 N -2.18 2.97 0.23 1.61 3.76 -1.26 -4.97 115.29 115.45 1wcq s HIS 633 Ca 0.00 0.81 0.09 0.00 -0.15 0.00 0.00 55.06 55.81 1wcq s HIS 633 Cb 0.00 -3.42 0.19 0.00 1.11 0.00 0.00 32.58 30.46 1wcq s HIS 633 CO 0.00 -1.74 1.51 -0.22 -0.85 0.00 0.00 174.74 173.44 1wcq h LYS 634 N -1.04 0.02 -6.22 1.40 3.64 -1.96 -3.42 116.57 108.99 1wcq h LYS 634 Ca -0.46 -0.02 -0.56 0.00 -1.27 0.00 0.00 60.65 58.34 1wcq h LYS 634 Cb 1.32 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.07 1wcq h LYS 634 CO 0.65 0.74 -0.57 0.71 -2.27 0.00 0.00 179.45 178.71 1wcq s TYR 635 N -3.37 3.07 -0.10 1.91 2.02 -1.26 -3.85 117.35 115.77 1wcq s TYR 635 Ca -0.01 -0.07 0.03 0.00 -0.37 0.00 0.00 57.07 56.65 1wcq s TYR 635 Cb 0.12 -1.45 -0.01 0.00 -0.40 0.00 0.00 41.96 40.22 1wcq s TYR 635 CO 0.78 0.52 -0.18 0.00 -1.57 0.00 0.00 175.55 175.11 1wcq s ALA 636 N -1.87 2.44 -0.02 3.71 0.00 -1.26 -4.41 121.76 120.34 1wcq s ALA 636 Ca 0.31 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.35 1wcq s ALA 636 Cb -0.09 -0.98 -0.00 0.00 0.00 0.00 0.00 23.12 22.05 1wcq s ALA 636 CO 0.23 0.34 -0.11 0.00 0.00 0.00 0.00 175.76 176.22 1wcq s ALA 637 N 0.06 0.99 -0.05 0.00 0.00 0.11 -1.14 121.76 121.73 1wcq s ALA 637 Ca -0.07 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1wcq s ALA 637 Cb -0.15 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.67 1wcq s ALA 637 CO 0.05 0.19 -0.03 0.08 0.00 0.00 0.00 175.76 176.05 1wcq s VAL 638 N 0.03 0.47 -0.01 0.00 1.01 -0.31 -3.93 120.40 117.67 1wcq s VAL 638 Ca -0.01 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 1wcq s VAL 638 Cb -0.08 -0.55 -0.29 0.00 0.00 0.00 0.00 36.38 35.46 1wcq s VAL 638 CO 0.00 0.24 1.00 0.00 0.00 0.00 0.00 175.10 176.34 1wcq h ALA 639 N 7.59 -0.04 -2.81 5.51 0.00 -1.03 0.61 119.26 129.10 1wcq h ALA 639 Ca -0.32 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 53.78 1wcq h ALA 639 Cb 1.14 0.09 -0.25 0.00 0.00 0.00 0.00 17.79 18.77 1wcq h ALA 639 CO 0.40 0.44 -0.30 -1.21 0.00 0.00 0.00 179.25 178.58 1wcq s GLU 640 N -2.76 0.41 -0.08 0.00 0.41 -1.06 -4.22 118.70 111.40 1wcq s GLU 640 Ca -0.12 0.58 0.04 0.00 -0.41 0.00 0.00 54.97 55.05 1wcq s GLU 640 Cb 0.03 0.14 -0.00 0.00 -1.78 0.00 0.00 34.13 32.51 1wcq s GLU 640 CO 0.85 -0.08 -0.21 -0.51 -0.49 0.00 0.00 175.26 174.82 1wcq s LEU 641 N 0.53 1.97 0.10 1.80 1.43 0.22 -0.41 118.68 124.32 1wcq s LEU 641 Ca -0.03 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 52.68 1wcq s LEU 641 Cb -0.04 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 1wcq s LEU 641 CO -0.03 0.15 -0.20 -1.61 0.23 0.00 0.00 176.35 174.90 1wcq s GLU 642 N 0.26 1.09 -0.13 1.70 0.41 -0.15 -4.62 118.70 117.25 1wcq s GLU 642 Ca -0.13 -1.15 0.03 0.00 -0.41 0.00 0.00 54.97 53.31 1wcq s GLU 642 Cb -0.16 -1.29 0.01 0.00 -1.78 0.00 0.00 34.13 30.91 1wcq s GLU 642 CO 0.06 0.29 -0.22 0.08 -0.49 0.00 0.00 175.26 174.98 1wcq s VAL 643 N -1.27 2.05 -0.33 2.63 1.01 -1.26 -0.29 120.40 122.95 1wcq s VAL 643 Ca 0.06 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 1wcq s VAL 643 Cb -0.10 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.49 1wcq s VAL 643 CO 0.04 0.55 1.09 -1.61 0.00 0.00 0.00 175.10 175.17 1wcq s GLU 644 N 0.71 4.04 0.10 2.72 2.02 0.75 -1.68 118.70 127.36 1wcq s GLU 644 Ca -0.10 1.06 -0.26 0.00 0.02 0.00 0.00 54.97 55.69 1wcq s GLU 644 Cb -0.16 -3.75 0.09 0.00 0.10 0.00 0.00 34.13 30.40 1wcq s GLU 644 CO 0.00 -0.94 1.10 0.20 0.02 0.00 0.00 175.26 175.65 1wcq s GLY 645 N 1.75 -0.20 -0.20 -1.39 0.00 -0.41 -0.25 107.32 106.61 1wcq s GLY 645 Ca 0.46 0.18 -0.19 0.00 0.00 0.00 0.00 44.72 45.17 1wcq s GLY 645 CO 0.17 1.02 0.53 1.62 0.00 0.00 0.00 173.10 176.44 1wcq s GLN 646 N -2.68 4.19 0.00 2.90 0.74 -0.56 -3.35 119.66 120.90 1wcq s GLN 646 Ca 0.16 0.44 0.19 0.00 0.05 0.00 0.00 55.36 56.21 1wcq s GLN 646 Cb 0.00 -3.57 1.16 0.00 1.10 0.00 0.00 33.01 31.70 1wcq s GLN 646 CO 0.01 -0.16 1.55 0.54 -0.55 0.00 0.00 175.29 176.67