#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wcq s GLU 48 N 0.00 4.35 0.37 1.61 2.12 -1.26 -4.87 118.70 121.03 1wcq s GLU 48 Ca 0.00 1.65 -0.28 0.00 0.36 0.00 0.00 54.97 56.69 1wcq s GLU 48 Cb 0.00 -3.56 -0.11 0.00 0.26 0.00 0.00 34.13 30.72 1wcq s GLU 48 CO 0.00 -0.44 1.51 -2.14 -0.54 0.00 0.00 175.26 173.65 1wcq s PRO 49 N 2.24 4.09 -0.15 4.30 0.02 -1.26 -4.75 135.00 139.49 1wcq s PRO 49 Ca 0.55 2.60 0.01 0.00 0.02 0.00 0.00 61.00 64.17 1wcq s PRO 49 Cb -0.24 -2.97 0.02 0.00 0.02 0.00 0.00 34.50 31.34 1wcq s PRO 49 CO 0.21 -0.57 -0.15 -1.17 -0.33 0.00 0.00 177.00 174.99 1wcq s LEU 50 N -1.95 1.76 -0.08 -5.54 2.96 -1.26 -4.87 118.68 109.70 1wcq s LEU 50 Ca 0.54 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.92 1wcq s LEU 50 Cb -0.47 -1.22 0.04 0.00 0.50 0.00 0.00 46.19 45.03 1wcq s LEU 50 CO 0.62 -0.04 0.06 -0.47 -1.32 0.00 0.00 176.35 175.21 1wcq s TYR 51 N 1.41 0.16 0.03 5.38 5.04 -1.26 -2.35 117.35 125.75 1wcq s TYR 51 Ca 0.04 0.06 0.01 0.00 -2.44 0.00 0.00 57.07 54.74 1wcq s TYR 51 Cb -0.13 -0.57 -0.02 0.00 0.35 0.00 0.00 41.96 41.59 1wcq s TYR 51 CO -0.10 -0.29 -0.05 0.95 -1.34 0.00 0.00 175.55 174.72 1wcq s THR 52 N 2.14 0.30 0.02 4.34 -4.23 -0.62 -4.98 115.64 112.62 1wcq s THR 52 Ca 0.04 -0.91 -0.07 0.00 -1.18 0.00 0.00 61.69 59.57 1wcq s THR 52 Cb -0.13 -0.40 -0.00 0.00 1.34 0.00 0.00 72.50 73.30 1wcq s THR 52 CO -0.05 -0.40 0.14 -1.83 -0.54 0.00 0.00 174.62 171.94 1wcq s GLU 53 N -1.38 0.57 -0.02 3.99 -1.05 -1.26 -0.63 118.70 118.92 1wcq s GLU 53 Ca -0.12 -0.58 -0.11 0.00 -0.15 0.00 0.00 54.97 54.01 1wcq s GLU 53 Cb -0.09 0.23 0.02 0.00 -0.44 0.00 0.00 34.13 33.85 1wcq s GLU 53 CO -0.00 -0.15 0.24 1.14 0.95 0.00 0.00 175.26 177.44 1wcq s GLN 54 N -2.10 0.54 0.29 -4.83 -2.07 -0.14 -4.98 119.66 106.38 1wcq s GLN 54 Ca -0.09 -0.17 -0.26 0.00 -1.82 0.00 0.00 55.36 53.02 1wcq s GLN 54 Cb -0.04 0.24 -0.10 0.00 -1.09 0.00 0.00 33.01 32.02 1wcq s GLN 54 CO -0.02 -0.13 0.92 -0.51 -1.32 0.00 0.00 175.29 174.23 1wcq s ASP 55 N -1.09 7.37 -0.02 12.60 1.01 -1.26 -0.52 116.67 134.75 1wcq s ASP 55 Ca -0.12 1.82 0.09 0.00 0.71 0.00 0.00 52.55 55.05 1wcq s ASP 55 Cb -0.06 -2.57 -0.14 0.00 1.01 0.00 0.00 42.92 41.17 1wcq s ASP 55 CO 0.03 -0.01 0.18 0.18 0.21 0.00 0.00 175.17 175.76 1wcq n LEU 56 N 0.77 0.00 -3.77 1.23 4.77 0.12 -4.85 117.00 115.27 1wcq n LEU 56 Ca 0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 1wcq n LEU 56 Cb 0.50 0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.49 1wcq n LEU 56 CO 0.45 0.03 -0.13 0.00 -1.33 0.00 0.00 177.39 176.41 1wcq s ALA 57 N -2.59 -0.52 -0.11 -1.18 0.00 -0.77 -4.95 121.76 111.64 1wcq s ALA 57 Ca -0.04 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1wcq s ALA 57 Cb 0.06 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1wcq s ALA 57 CO 0.39 -0.14 -0.09 0.08 0.00 0.00 0.00 175.76 175.99 1wcq s VAL 58 N 0.64 1.09 -0.32 0.00 1.01 -1.26 -1.31 120.40 120.25 1wcq s VAL 58 Ca -0.04 -0.36 -0.44 0.00 0.00 0.00 0.00 61.98 61.14 1wcq s VAL 58 Cb -0.06 -1.08 -0.20 0.00 0.00 0.00 0.00 36.38 35.05 1wcq s VAL 58 CO -0.04 0.37 1.43 0.59 0.00 0.00 0.00 175.10 177.46 1wcq n ASN 59 N 4.69 0.87 0.00 3.32 3.02 0.73 -1.32 115.26 126.57 1wcq n ASN 59 Ca -0.15 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 1wcq n ASN 59 Cb 0.50 -0.91 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 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 3.17 2.84 3.78 7.41 0.00 -0.29 -4.90 105.19 117.21 1wcq n GLY 60 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 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 3.11 -1.05 1.61 0.52 -0.43 -4.65 118.95 117.28 1wcq s ARG 61 Ca 0.00 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 54.78 1wcq s ARG 61 Cb 0.00 -2.90 0.00 0.00 0.52 0.00 0.00 34.95 32.57 1wcq s ARG 61 CO 0.00 0.67 0.00 0.39 0.02 0.00 0.00 175.30 176.38 1wcq n GLU 62 N 1.41 -0.73 0.00 3.54 -0.58 -1.26 -4.22 120.64 118.80 1wcq n GLU 62 Ca -0.15 0.80 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 1wcq n GLU 62 Cb 0.53 -4.76 0.00 0.00 -0.57 0.00 0.00 31.44 26.64 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 -1.60 0.96 3.03 0.62 0.00 -1.26 -5.08 105.19 101.85 1wcq n GLY 63 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.05 -0.35 1.61 0.08 -1.26 -4.99 117.98 111.02 1wcq s PHE 64 Ca 0.00 0.11 0.27 0.00 0.12 0.00 0.00 56.93 57.44 1wcq s PHE 64 Cb 0.00 -0.00 0.98 0.00 -0.57 0.00 0.00 43.02 43.43 1wcq s PHE 64 CO 0.00 -0.14 1.79 -1.00 -0.10 0.00 0.00 175.22 175.78 1wcq h PRO 65 N 5.37 0.00 -2.51 0.24 0.13 -1.86 -0.75 132.00 132.62 1wcq h PRO 65 Ca -0.27 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.77 1wcq h PRO 65 Cb 1.20 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 1wcq h PRO 65 CO 0.42 0.00 -0.21 1.21 -0.23 0.00 0.00 178.00 179.19 1wcq s ASN 66 N -4.98 -0.60 -0.02 1.44 3.84 -1.25 -2.99 114.94 110.38 1wcq s ASN 66 Ca 0.05 1.02 0.05 0.00 0.21 0.00 0.00 52.86 54.20 1wcq s ASN 66 Cb 0.09 0.92 -0.01 0.00 -0.55 0.00 0.00 41.25 41.70 1wcq s ASN 66 CO 0.51 -0.20 -0.18 -0.31 -2.79 0.00 0.00 177.10 174.14 1wcq s TYR 67 N 1.26 1.63 0.19 0.43 2.02 -1.26 -1.03 117.35 120.59 1wcq s TYR 67 Ca -0.08 -0.34 -0.18 0.00 -0.37 0.00 0.00 57.07 56.10 1wcq s TYR 67 Cb -0.07 -1.06 0.03 0.00 -0.40 0.00 0.00 41.96 40.46 1wcq s TYR 67 CO -0.12 -0.06 0.53 1.03 -1.57 0.00 0.00 175.55 175.37 1wcq s ARG 68 N -0.33 1.38 -0.09 -0.62 0.52 -1.03 -4.43 118.95 114.36 1wcq s ARG 68 Ca 0.05 -0.84 -0.03 0.00 -0.52 0.00 0.00 55.73 54.40 1wcq s ARG 68 Cb -0.08 0.53 0.00 0.00 0.52 0.00 0.00 34.95 35.92 1wcq s ARG 68 CO -0.00 -0.59 0.09 -0.89 0.02 0.00 0.00 175.30 173.94 1wcq n ILE 69 N -0.34 -4.12 -2.88 1.52 2.08 -1.26 -0.80 119.36 113.56 1wcq n ILE 69 Ca -0.10 0.27 -0.39 0.00 0.56 0.00 0.00 62.75 63.08 1wcq n ILE 69 Cb 0.63 -4.72 -0.06 0.00 -0.75 0.00 0.00 39.64 34.73 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 -1.06 4.67 -0.02 0.38 0.04 -1.26 -3.93 135.00 133.82 1wcq s PRO 70 Ca 0.04 1.28 0.02 0.00 0.04 0.00 0.00 61.00 62.38 1wcq s PRO 70 Cb -0.01 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1wcq s PRO 70 CO 0.17 0.52 -0.07 0.00 0.04 0.00 0.00 177.00 177.67 1wcq s ALA 71 N -1.22 0.67 -0.04 8.56 0.00 0.02 -3.52 121.76 126.24 1wcq s ALA 71 Ca 0.39 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 52.09 1wcq s ALA 71 Cb -0.24 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1wcq s ALA 71 CO 0.28 0.11 0.08 -1.17 0.00 0.00 0.00 175.76 175.06 1wcq s LEU 72 N 0.18 1.22 0.28 0.00 2.96 -1.25 -0.48 118.68 121.59 1wcq s LEU 72 Ca -0.02 0.17 -0.10 0.00 -0.22 0.00 0.00 54.13 53.95 1wcq s LEU 72 Cb -0.07 0.20 0.00 0.00 0.50 0.00 0.00 46.19 46.82 1wcq s LEU 72 CO 0.00 -0.09 0.50 0.28 -1.32 0.00 0.00 176.35 175.72 1wcq s THR 73 N 0.70 0.00 -0.08 3.68 -1.32 -0.72 -4.74 115.64 113.16 1wcq s THR 73 Ca -0.05 -1.42 0.05 0.00 -1.21 0.00 0.00 61.69 59.05 1wcq s THR 73 Cb -0.08 -2.38 -0.01 0.00 -1.51 0.00 0.00 72.50 68.53 1wcq s THR 73 CO -0.03 0.00 -0.23 -0.69 -2.21 0.00 0.00 174.62 171.46 1wcq s VAL 74 N -3.62 2.19 0.65 5.08 1.01 -1.26 -0.74 120.40 123.71 1wcq s VAL 74 Ca 0.24 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 1wcq s VAL 74 Cb -0.01 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1wcq s VAL 74 CO 0.12 0.56 1.05 0.42 0.00 0.00 0.00 175.10 177.25 1wcq s THR 75 N 0.00 4.37 0.49 3.92 -4.23 0.26 -4.90 115.64 115.55 1wcq s THR 75 Ca -0.08 0.77 0.30 0.00 -1.18 0.00 0.00 61.69 61.50 1wcq s THR 75 Cb -0.15 -3.71 0.49 0.00 1.34 0.00 0.00 72.50 70.47 1wcq s THR 75 CO 0.05 -1.01 1.79 -0.65 -0.54 0.00 0.00 174.62 174.27 1wcq h PRO 76 N -0.46 0.14 -0.00 3.99 0.11 -1.91 0.13 132.00 133.99 1wcq h PRO 76 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1wcq h PRO 76 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1wcq h PRO 76 CO 0.61 0.09 -0.04 -0.25 -0.21 0.00 0.00 178.00 178.21 1wcq n ASP 77 N -4.36 0.25 0.00 -2.05 8.00 -1.26 -4.94 116.55 112.19 1wcq n ASP 77 Ca 0.26 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 55.13 1wcq n ASP 77 Cb 1.11 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 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 1.19 0.85 3.78 0.44 0.00 0.44 -5.09 105.19 106.80 1wcq n GLY 78 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.09 6.72 0.00 1.61 1.01 -1.26 -4.64 116.67 118.02 1wcq s ASP 79 Ca 0.00 2.09 -0.21 0.00 0.71 0.00 0.00 52.55 55.14 1wcq s ASP 79 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1wcq s ASP 79 CO 0.00 -0.52 0.62 -0.76 0.21 0.00 0.00 175.17 174.72 1wcq s LEU 80 N -2.60 4.42 -0.17 1.23 1.02 -0.04 -0.58 118.68 121.96 1wcq s LEU 80 Ca 0.57 1.21 -0.01 0.00 0.02 0.00 0.00 54.13 55.93 1wcq s LEU 80 Cb -0.24 -2.97 -0.00 0.00 0.02 0.00 0.00 46.19 43.00 1wcq s LEU 80 CO 0.30 0.09 -0.13 -0.76 0.02 0.00 0.00 176.35 175.86 1wcq s LEU 81 N -0.17 2.54 -0.13 1.79 1.43 0.08 -0.93 118.68 123.29 1wcq s LEU 81 Ca 0.32 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1wcq s LEU 81 Cb -0.19 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 1wcq s LEU 81 CO 0.18 0.05 -0.12 0.00 0.23 0.00 0.00 176.35 176.69 1wcq s ALA 82 N 1.04 2.66 0.03 4.21 0.00 -0.13 -1.76 121.76 127.81 1wcq s ALA 82 Ca -0.01 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.11 1wcq s ALA 82 Cb -0.15 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 1wcq s ALA 82 CO -0.03 0.27 -0.13 0.45 0.00 0.00 0.00 175.76 176.33 1wcq s SER 83 N 0.26 1.48 0.25 0.00 0.15 0.37 -0.49 113.70 115.73 1wcq s SER 83 Ca -0.09 -0.41 -0.22 0.00 0.70 0.00 0.00 55.95 55.93 1wcq s SER 83 Cb -0.15 -0.10 0.03 0.00 -1.71 0.00 0.00 66.02 64.09 1wcq s SER 83 CO 0.05 0.03 0.77 -0.72 1.20 0.00 0.00 173.24 174.56 1wcq s TYR 84 N -0.79 -0.19 0.21 3.44 -0.85 -1.14 -0.80 117.35 117.23 1wcq s TYR 84 Ca 0.01 -0.24 -0.24 0.00 -0.52 0.00 0.00 57.07 56.08 1wcq s TYR 84 Cb -0.07 0.69 -0.08 0.00 0.38 0.00 0.00 41.96 42.87 1wcq s TYR 84 CO 0.01 -1.14 0.80 -0.51 -1.52 0.00 0.00 175.55 173.19 1wcq s ASP 85 N -2.92 7.33 -0.23 -0.18 1.11 0.02 -0.47 116.67 121.33 1wcq s ASP 85 Ca 0.11 1.65 -0.16 0.00 0.18 0.00 0.00 52.55 54.32 1wcq s ASP 85 Cb -0.05 -2.50 -0.04 0.00 1.07 0.00 0.00 42.92 41.40 1wcq s ASP 85 CO 0.06 0.12 0.42 -0.83 1.18 0.00 0.00 175.17 176.12 1wcq s GLY 86 N -1.34 1.99 -0.49 0.21 0.00 0.85 -2.45 107.32 106.09 1wcq s GLY 86 Ca 0.40 -0.61 -0.03 0.00 0.00 0.00 0.00 44.72 44.48 1wcq s GLY 86 CO 0.25 0.95 0.30 0.50 0.00 0.00 0.00 173.10 175.10 1wcq s ARG 87 N 1.70 2.23 0.57 2.90 0.52 -0.19 -0.66 118.95 126.01 1wcq s ARG 87 Ca 0.19 -2.08 0.25 0.00 -0.52 0.00 0.00 55.73 53.56 1wcq s ARG 87 Cb -0.15 -3.65 1.63 0.00 0.52 0.00 0.00 34.95 33.30 1wcq s ARG 87 CO 0.09 -1.12 2.22 -1.35 0.02 0.00 0.00 175.30 175.16 1wcq h PRO 88 N 7.69 0.00 0.00 3.54 0.11 -1.84 -2.12 132.00 139.38 1wcq h PRO 88 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1wcq h PRO 88 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1wcq h PRO 88 CO 0.71 0.00 -0.01 0.25 -0.21 0.00 0.00 178.00 178.75 1wcq n THR 89 N -4.09 1.41 -2.10 -1.15 -2.24 -1.26 -4.76 114.28 100.08 1wcq n THR 89 Ca -0.03 -1.59 -0.18 0.00 -2.27 0.00 0.00 64.05 59.98 1wcq n THR 89 Cb 0.09 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 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 -0.94 0.25 3.26 3.38 0.00 -0.80 -5.01 105.19 105.33 1wcq n GLY 90 Ca 0.08 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.83 1.08 1.27 -0.61 -4.36 -1.26 -5.08 121.20 109.41 1wcq s ILE 91 Ca 0.00 -2.04 -0.21 0.00 -0.26 0.00 0.00 60.65 58.13 1wcq s ILE 91 Cb 0.00 -1.93 0.32 0.00 1.25 0.00 0.00 42.46 42.10 1wcq s ILE 91 CO 0.00 -0.67 0.93 0.47 0.24 0.00 0.00 174.94 175.91 1wcq n ASP 92 N -0.22 -3.02 -4.66 4.36 8.00 -1.26 -4.46 116.55 115.28 1wcq n ASP 92 Ca -0.09 -0.99 -0.42 0.00 0.71 0.00 0.00 54.79 54.00 1wcq n ASP 92 Cb 0.61 -0.95 0.01 0.00 -0.02 0.00 0.00 41.12 40.77 1wcq n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wcq n ALA 93 N -5.21 0.83 0.65 2.24 0.00 -1.26 -0.52 120.51 117.23 1wcq n ALA 93 Ca -0.19 0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 1wcq n ALA 93 Cb 0.56 -2.19 0.05 0.00 0.00 0.00 0.00 19.45 17.87 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 0.19 1.43 -1.47 0.00 -0.04 -1.26 -4.22 135.00 129.64 1wcq n PRO 94 Ca 0.07 -0.53 -0.49 0.00 -0.04 0.00 0.00 63.50 62.52 1wcq n PRO 94 Cb 0.38 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.17 -1.11 2.75 0.55 0.00 0.32 -4.73 105.19 103.13 1wcq n GLY 95 Ca 0.08 0.41 -0.42 0.00 0.00 0.00 0.00 46.02 46.09 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 1.09 2.70 -2.96 1.61 -0.04 -1.26 -4.33 135.00 131.80 1wcq n PRO 96 Ca 0.16 -2.45 -0.29 0.00 -0.04 0.00 0.00 63.50 60.89 1wcq n PRO 96 Cb 0.24 -3.19 -0.02 0.00 -0.04 0.00 0.00 33.50 30.49 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 3.39 6.43 0.17 3.54 0.01 -1.26 -4.44 114.94 122.79 1wcq s ASN 97 Ca 0.50 0.95 0.06 0.00 -0.71 0.00 0.00 52.86 53.66 1wcq s ASN 97 Cb 0.14 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.52 1wcq s ASN 97 CO -0.06 -0.38 0.09 -0.44 -1.51 0.00 0.00 177.10 174.80 1wcq s SER 98 N -3.40 5.24 -0.24 -1.22 0.01 0.17 -1.11 113.70 113.14 1wcq s SER 98 Ca 0.48 -0.23 -0.10 0.00 1.31 0.00 0.00 55.95 57.41 1wcq s SER 98 Cb -0.10 -1.28 -0.05 0.00 0.21 0.00 0.00 66.02 64.80 1wcq s SER 98 CO 0.34 0.07 0.15 -0.63 0.41 0.00 0.00 173.24 173.58 1wcq s ILE 99 N -1.76 5.18 0.34 1.44 -1.09 -0.01 -0.10 121.20 125.20 1wcq s ILE 99 Ca 0.30 0.12 0.09 0.00 -2.23 0.00 0.00 60.65 58.93 1wcq s ILE 99 Cb -0.10 -3.42 -0.05 0.00 -1.58 0.00 0.00 42.46 37.31 1wcq s ILE 99 CO 0.22 0.34 0.01 -0.76 -1.23 0.00 0.00 174.94 173.51 1wcq s LEU 100 N 1.18 2.96 -0.04 2.97 1.43 0.38 -0.08 118.68 127.47 1wcq s LEU 100 Ca 0.07 -1.01 -0.10 0.00 -1.03 0.00 0.00 54.13 52.05 1wcq s LEU 100 Cb -0.14 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1wcq s LEU 100 CO 0.05 -0.24 0.24 -1.58 0.23 0.00 0.00 176.35 175.05 1wcq s GLN 101 N -3.71 0.47 0.04 1.70 0.74 0.19 -2.90 119.66 116.19 1wcq s GLN 101 Ca 0.35 -0.03 0.07 0.00 0.05 0.00 0.00 55.36 55.80 1wcq s GLN 101 Cb 0.00 0.21 -0.02 0.00 1.10 0.00 0.00 33.01 34.30 1wcq s GLN 101 CO 0.19 -0.11 -0.21 1.03 -0.55 0.00 0.00 175.29 175.64 1wcq s ARG 102 N -0.77 1.48 -0.06 1.67 0.52 0.36 0.36 118.95 122.51 1wcq s ARG 102 Ca -0.09 -0.93 0.05 0.00 -0.52 0.00 0.00 55.73 54.24 1wcq s ARG 102 Cb -0.05 -1.58 -0.02 0.00 0.52 0.00 0.00 34.95 33.83 1wcq s ARG 102 CO 0.02 0.41 -0.19 0.50 0.02 0.00 0.00 175.30 176.05 1wcq s ARG 103 N -1.09 2.58 -0.18 3.54 3.52 -1.26 -0.96 118.95 125.11 1wcq s ARG 103 Ca 0.08 -0.80 -0.01 0.00 -0.13 0.00 0.00 55.73 54.87 1wcq s ARG 103 Cb -0.09 -2.29 -0.01 0.00 -1.56 0.00 0.00 34.95 31.01 1wcq s ARG 103 CO 0.01 0.48 -0.11 0.45 -0.81 0.00 0.00 175.30 175.33 1wcq s SER 104 N -0.38 3.96 0.00 -2.12 0.15 -0.11 -0.79 113.70 114.41 1wcq s SER 104 Ca 0.03 -0.42 0.20 0.00 0.70 0.00 0.00 55.95 56.47 1wcq s SER 104 Cb -0.12 -1.64 0.53 0.00 -1.71 0.00 0.00 66.02 63.08 1wcq s SER 104 CO 0.02 0.06 1.45 0.35 1.20 0.00 0.00 173.24 176.31 1wcq n THR 105 N 4.27 0.65 -2.44 6.45 -2.24 -1.26 -0.86 114.28 118.85 1wcq n THR 105 Ca -0.19 -0.73 -0.12 0.00 -2.27 0.00 0.00 64.05 60.74 1wcq n THR 105 Cb 0.51 0.56 0.03 0.00 -2.10 0.00 0.00 70.33 69.34 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 1.21 3.25 -1.04 3.42 5.75 -1.26 -4.94 116.55 122.93 1wcq n ASP 106 Ca 0.19 -2.91 -0.12 0.00 -0.01 0.00 0.00 54.79 51.95 1wcq n ASP 106 Cb 0.51 -0.41 -0.04 0.00 -1.03 0.00 0.00 41.12 40.15 1wcq n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wcq n GLY 107 N -0.63 0.82 0.41 6.12 0.00 -1.26 -3.35 105.19 107.30 1wcq n GLY 107 Ca 0.25 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.37 0.56 0.10 -0.02 0.00 -1.26 -4.98 105.19 98.22 1wcq n GLY 108 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 4.69 0.20 -5.71 1.61 3.08 -1.96 -3.46 114.38 112.83 1wcq h ARG 109 Ca 0.00 -0.09 -0.48 0.00 0.07 0.00 0.00 59.98 59.48 1wcq h ARG 109 Cb 0.00 -0.00 -0.16 0.00 0.08 0.00 0.00 29.97 29.88 1wcq h ARG 109 CO 0.00 0.57 -0.76 0.95 -1.07 0.00 0.00 179.97 179.67 1wcq s THR 110 N -4.49 1.74 -0.00 2.04 -4.23 -1.26 -5.12 115.64 104.32 1wcq s THR 110 Ca -0.15 -2.04 0.03 0.00 -1.18 0.00 0.00 61.69 58.35 1wcq s THR 110 Cb 0.04 -1.91 -0.01 0.00 1.34 0.00 0.00 72.50 71.97 1wcq s THR 110 CO 0.71 -0.46 -0.08 0.26 -0.54 0.00 0.00 174.62 174.51 1wcq s TRP 111 N -2.49 0.75 0.00 3.99 0.52 -1.26 -4.30 118.94 116.15 1wcq s TRP 111 Ca 0.18 -0.15 0.00 0.00 0.02 0.00 0.00 56.10 56.15 1wcq s TRP 111 Cb -0.03 -0.48 0.00 0.00 -1.15 0.00 0.00 33.47 31.80 1wcq s TRP 111 CO 0.06 -0.01 0.00 0.41 0.02 0.00 0.00 176.95 177.43 1wcq n GLY 112 N 2.84 0.22 3.77 0.98 0.00 0.03 -4.96 105.19 108.07 1wcq n GLY 112 Ca -0.13 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 1wcq n GLY 112 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wcq s GLU 113 N 0.79 3.31 -0.14 1.61 2.12 -1.26 -4.59 118.70 120.55 1wcq s GLU 113 Ca 0.00 1.59 -0.29 0.00 0.36 0.00 0.00 54.97 56.63 1wcq s GLU 113 Cb 0.00 -2.00 -0.03 0.00 0.26 0.00 0.00 34.13 32.36 1wcq s GLU 113 CO 0.00 -0.88 1.44 -1.14 -0.54 0.00 0.00 175.26 174.14 1wcq s GLN 114 N -3.36 4.14 0.32 4.30 0.74 -1.26 -4.54 119.66 120.00 1wcq s GLN 114 Ca 0.72 1.81 0.09 0.00 0.05 0.00 0.00 55.36 58.04 1wcq s GLN 114 Cb -0.23 -3.88 -0.05 0.00 1.10 0.00 0.00 33.01 29.95 1wcq s GLN 114 CO 0.28 -0.85 0.04 -0.65 -0.55 0.00 0.00 175.29 173.56 1wcq s GLN 115 N 3.86 2.22 -0.27 1.67 -0.21 0.16 -4.92 119.66 122.17 1wcq s GLN 115 Ca 0.63 -1.59 -0.11 0.00 0.02 0.00 0.00 55.36 54.31 1wcq s GLN 115 Cb -0.26 -2.07 -0.05 0.00 1.00 0.00 0.00 33.01 31.63 1wcq s GLN 115 CO 0.22 0.20 0.19 0.08 -2.12 0.00 0.00 175.29 173.87 1wcq s VAL 116 N -2.43 5.31 -0.14 1.09 1.01 -1.26 0.56 120.40 124.54 1wcq s VAL 116 Ca 0.34 0.19 -0.22 0.00 0.00 0.00 0.00 61.98 62.30 1wcq s VAL 116 Cb -0.03 -3.53 -0.24 0.00 0.00 0.00 0.00 36.38 32.57 1wcq s VAL 116 CO 0.20 0.26 0.53 0.58 0.00 0.00 0.00 175.10 176.67 1wcq h VAL 117 N 5.32 1.24 -3.24 2.92 2.07 -0.79 -3.46 116.25 120.31 1wcq h VAL 117 Ca -0.35 -2.32 -0.46 0.00 0.82 0.00 0.00 66.70 64.39 1wcq h VAL 117 Cb 1.19 2.78 -0.39 0.00 -1.52 0.00 0.00 31.29 33.34 1wcq h VAL 117 CO 0.57 0.55 -0.76 -0.44 0.02 0.00 0.00 177.57 177.51 1wcq s SER 118 N -6.74 2.03 -0.25 0.57 0.01 -0.96 -4.95 113.70 103.41 1wcq s SER 118 Ca -0.22 -0.35 -0.23 0.00 1.31 0.00 0.00 55.95 56.46 1wcq s SER 118 Cb 0.03 -0.44 -0.01 0.00 0.21 0.00 0.00 66.02 65.80 1wcq s SER 118 CO 0.69 -0.25 0.75 0.00 0.41 0.00 0.00 173.24 174.84 1wcq s ALA 119 N 1.97 3.63 0.90 1.44 0.00 -1.26 -0.83 121.76 127.61 1wcq s ALA 119 Ca 0.03 -0.27 -0.12 0.00 0.00 0.00 0.00 51.96 51.60 1wcq s ALA 119 Cb -0.14 -3.18 0.13 0.00 0.00 0.00 0.00 23.12 19.92 1wcq s ALA 119 CO -0.06 -0.89 1.10 0.20 0.00 0.00 0.00 175.76 176.11 1wcq s GLY 120 N 1.40 1.60 -0.22 0.00 0.00 -1.12 -4.87 107.32 104.10 1wcq s GLY 120 Ca 0.31 -0.29 0.02 0.00 0.00 0.00 0.00 44.72 44.77 1wcq s GLY 120 CO 0.08 0.23 -0.14 1.20 0.00 0.00 0.00 173.10 174.47 1wcq s GLN 121 N -5.09 2.51 0.15 2.90 -0.21 -0.08 -4.93 119.66 114.92 1wcq s GLN 121 Ca 0.63 -1.08 0.24 0.00 0.02 0.00 0.00 55.36 55.18 1wcq s GLN 121 Cb -0.16 -2.70 0.36 0.00 1.00 0.00 0.00 33.01 31.50 1wcq s GLN 121 CO 0.55 -0.41 1.35 1.79 -2.12 0.00 0.00 175.29 176.46 1wcq h THR 122 N 6.39 0.00 -3.10 -0.19 1.35 -1.84 -2.25 112.91 113.27 1wcq h THR 122 Ca -0.31 -0.57 -0.66 0.00 -0.55 0.00 0.00 66.41 64.32 1wcq h THR 122 Cb 1.09 1.20 -0.11 0.00 -1.73 0.00 0.00 68.15 68.60 1wcq h THR 122 CO 0.53 0.00 -0.58 0.42 -0.25 0.00 0.00 175.52 175.65 1wcq s THR 123 N -3.18 4.72 0.50 6.82 -4.23 -1.26 -4.93 115.64 114.07 1wcq s THR 123 Ca 0.06 -0.29 -0.23 0.00 -1.18 0.00 0.00 61.69 60.05 1wcq s THR 123 Cb 0.12 -3.10 -0.06 0.00 1.34 0.00 0.00 72.50 70.80 1wcq s THR 123 CO 0.71 0.45 1.32 0.00 -0.54 0.00 0.00 174.62 176.56 1wcq s ALA 124 N -1.09 2.95 -0.00 3.99 0.00 -1.26 -3.99 121.76 122.36 1wcq s ALA 124 Ca 0.19 1.25 -0.30 0.00 0.00 0.00 0.00 51.96 53.10 1wcq s ALA 124 Cb -0.12 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.42 1wcq s ALA 124 CO 0.09 -1.13 1.46 -1.25 0.00 0.00 0.00 175.76 174.93 1wcq s PRO 125 N -2.73 4.26 0.32 0.00 0.04 -1.26 -5.12 135.00 130.50 1wcq s PRO 125 Ca 0.67 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 63.45 1wcq s PRO 125 Cb -0.38 -3.62 -0.11 0.00 0.04 0.00 0.00 34.50 30.43 1wcq s PRO 125 CO 0.46 -0.63 1.43 0.42 0.04 0.00 0.00 177.00 178.72 1wcq s ILE 126 N 2.64 2.41 -0.00 0.56 -1.09 -1.26 -4.90 121.20 119.56 1wcq s ILE 126 Ca 0.66 0.38 0.06 0.00 -2.23 0.00 0.00 60.65 59.53 1wcq s ILE 126 Cb -0.33 -3.24 -0.02 0.00 -1.58 0.00 0.00 42.46 37.29 1wcq s ILE 126 CO 0.27 0.08 -0.20 -0.54 -1.23 0.00 0.00 174.94 173.32 1wcq s LYS 127 N -1.36 1.54 -0.02 2.79 1.02 -0.84 -4.54 119.74 118.33 1wcq s LYS 127 Ca 0.55 -0.76 0.05 0.00 0.02 0.00 0.00 55.97 55.82 1wcq s LYS 127 Cb -0.43 -1.53 -0.01 0.00 -0.52 0.00 0.00 37.83 35.33 1wcq s LYS 127 CO 0.53 0.41 -0.18 0.20 -0.92 0.00 0.00 175.35 175.39 1wcq s GLY 128 N -0.65 0.91 -0.17 -3.33 0.00 -0.06 -0.90 107.32 103.12 1wcq s GLY 128 Ca 0.07 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 44.03 1wcq s GLY 128 CO -0.00 -0.59 -0.16 -1.36 0.00 0.00 0.00 173.10 170.99 1wcq s PHE 129 N -0.32 2.52 0.01 1.90 0.08 -0.27 0.01 117.98 121.90 1wcq s PHE 129 Ca 0.05 -1.51 -0.17 0.00 0.12 0.00 0.00 56.93 55.42 1wcq s PHE 129 Cb -0.08 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.64 1wcq s PHE 129 CO -0.00 -0.75 0.37 0.45 -0.10 0.00 0.00 175.22 175.19 1wcq s SER 130 N 1.37 -0.24 -0.18 1.36 0.15 -1.19 -3.49 113.70 111.48 1wcq s SER 130 Ca 0.03 0.04 -0.04 0.00 0.70 0.00 0.00 55.95 56.69 1wcq s SER 130 Cb -0.14 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1wcq s SER 130 CO -0.11 -0.57 0.22 0.47 1.20 0.00 0.00 173.24 174.45 1wcq n ASP 131 N 0.84 -4.04 -4.79 5.45 9.92 -1.26 -0.26 116.55 122.42 1wcq n ASP 131 Ca -0.20 0.12 -0.35 0.00 -0.53 0.00 0.00 54.79 53.83 1wcq n ASP 131 Cb 0.58 -2.51 -0.05 0.00 -0.64 0.00 0.00 41.12 38.50 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 -2.02 4.20 -0.03 -0.24 0.04 -1.26 -4.30 135.00 131.39 1wcq s PRO 132 Ca 0.06 1.38 0.01 0.00 0.04 0.00 0.00 61.00 62.48 1wcq s PRO 132 Cb -0.02 -2.45 0.02 0.00 0.04 0.00 0.00 34.50 32.10 1wcq s PRO 132 CO 0.26 -0.09 -0.01 0.45 0.04 0.00 0.00 177.00 177.66 1wcq s SER 133 N -1.76 0.47 0.20 6.66 0.15 -0.23 -1.42 113.70 117.78 1wcq s SER 133 Ca 0.59 -0.04 -0.20 0.00 0.70 0.00 0.00 55.95 57.00 1wcq s SER 133 Cb -0.18 -0.24 -0.08 0.00 -1.71 0.00 0.00 66.02 63.81 1wcq s SER 133 CO 0.23 -0.09 0.70 -0.31 1.20 0.00 0.00 173.24 174.97 1wcq s TYR 134 N 0.93 3.68 -0.04 3.44 4.12 -0.83 -0.69 117.35 127.97 1wcq s TYR 134 Ca -0.10 1.38 -0.01 0.00 0.02 0.00 0.00 57.07 58.35 1wcq s TYR 134 Cb -0.13 -2.60 0.03 0.00 -1.52 0.00 0.00 41.96 37.74 1wcq s TYR 134 CO -0.01 0.38 0.05 -1.17 0.02 0.00 0.00 175.55 174.82 1wcq s LEU 135 N -1.82 0.38 -0.20 -1.29 0.20 -0.29 -0.84 118.68 114.82 1wcq s LEU 135 Ca 0.41 0.06 -0.13 0.00 0.69 0.00 0.00 54.13 55.16 1wcq s LEU 135 Cb -0.17 -0.14 -0.05 0.00 -0.43 0.00 0.00 46.19 45.40 1wcq s LEU 135 CO 0.21 -0.22 0.25 -0.69 -0.29 0.00 0.00 176.35 175.61 1wcq s VAL 136 N 1.90 5.31 -0.63 1.68 1.01 -1.26 -0.92 120.40 127.49 1wcq s VAL 136 Ca 0.02 0.42 -0.24 0.00 0.00 0.00 0.00 61.98 62.17 1wcq s VAL 136 Cb -0.12 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.72 1wcq s VAL 136 CO -0.03 0.35 1.01 -0.62 0.00 0.00 0.00 175.10 175.81 1wcq s ASP 137 N 0.77 6.24 0.12 3.32 -1.08 -0.05 -4.60 116.67 121.38 1wcq s ASP 137 Ca 0.13 -0.63 0.26 0.00 -0.52 0.00 0.00 52.55 51.78 1wcq s ASP 137 Cb -0.13 -2.45 0.97 0.00 -1.46 0.00 0.00 42.92 39.85 1wcq s ASP 137 CO 0.04 -1.42 1.80 0.54 0.52 0.00 0.00 175.17 176.65 1wcq n ARG 138 N 7.89 0.13 -0.01 4.34 1.74 -1.26 0.92 116.66 130.41 1wcq n ARG 138 Ca -0.00 0.16 -0.17 0.00 -0.77 0.00 0.00 57.85 57.07 1wcq n ARG 138 Cb 0.47 -1.67 -0.09 0.00 -1.02 0.00 0.00 32.46 30.14 1wcq n ARG 138 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1wcq h GLU 139 N 0.00 0.52 0.00 5.56 5.08 -1.97 -3.36 114.58 120.41 1wcq h GLU 139 Ca 0.00 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1wcq h GLU 139 Cb 0.56 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1wcq h GLU 139 CO 0.00 1.10 -1.07 0.25 -1.00 0.00 0.00 179.01 178.30 1wcq n THR 140 N -4.18 0.00 -0.94 1.13 -2.24 -1.16 -4.99 114.28 101.90 1wcq n THR 140 Ca -0.09 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1wcq n THR 140 Cb 0.65 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 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 1.44 0.85 3.77 3.38 0.00 0.26 -5.04 105.19 109.84 1wcq n GLY 141 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.35 3.39 -0.11 2.61 2.01 -1.12 -4.73 115.64 114.35 1wcq s THR 142 Ca 0.00 1.28 0.01 0.00 0.31 0.00 0.00 61.69 63.30 1wcq s THR 142 Cb 0.00 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 1wcq s THR 142 CO 0.00 0.22 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.37 1wcq s ILE 143 N -1.31 2.91 0.02 1.82 1.01 0.28 -0.87 121.20 125.07 1wcq s ILE 143 Ca 0.50 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.46 1wcq s ILE 143 Cb -0.30 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 1wcq s ILE 143 CO 0.39 0.54 -0.08 -0.36 0.00 0.00 0.00 174.94 175.44 1wcq s PHE 144 N 0.09 2.85 -0.23 3.97 0.08 -0.10 0.50 117.98 125.15 1wcq s PHE 144 Ca -0.07 -0.07 -0.01 0.00 0.12 0.00 0.00 56.93 56.91 1wcq s PHE 144 Cb -0.15 -1.57 0.06 0.00 -0.57 0.00 0.00 43.02 40.79 1wcq s PHE 144 CO 0.05 0.37 -0.01 1.21 -0.10 0.00 0.00 175.22 176.74 1wcq s ASN 145 N -1.56 3.56 0.21 1.36 3.84 0.18 -1.13 114.94 121.40 1wcq s ASN 145 Ca 0.18 -1.11 -0.22 0.00 0.21 0.00 0.00 52.86 51.92 1wcq s ASN 145 Cb -0.11 -0.96 -0.08 0.00 -0.55 0.00 0.00 41.25 39.55 1wcq s ASN 145 CO 0.09 -0.28 0.77 -0.36 -2.79 0.00 0.00 177.10 174.52 1wcq s PHE 146 N 1.56 3.74 0.15 0.43 0.08 0.13 -0.20 117.98 123.88 1wcq s PHE 146 Ca -0.03 1.52 -0.25 0.00 0.12 0.00 0.00 56.93 58.29 1wcq s PHE 146 Cb -0.18 -2.70 0.06 0.00 -0.57 0.00 0.00 43.02 39.63 1wcq s PHE 146 CO -0.08 0.38 0.88 -3.38 -0.10 0.00 0.00 175.22 172.93 1wcq s HIS 147 N -1.40 -0.20 0.60 0.36 -3.43 -0.87 -1.06 115.29 109.29 1wcq s HIS 147 Ca 0.41 -0.11 -0.15 0.00 -0.80 0.00 0.00 55.06 54.41 1wcq s HIS 147 Cb -0.19 0.63 -0.04 0.00 -1.43 0.00 0.00 32.58 31.56 1wcq s HIS 147 CO 0.23 -0.86 1.05 0.14 -2.00 0.00 0.00 174.74 173.30 1wcq s VAL 148 N -3.40 3.92 -0.27 -5.38 -7.23 0.64 -1.29 120.40 107.38 1wcq s VAL 148 Ca 0.10 0.87 0.01 0.00 -1.81 0.00 0.00 61.98 61.16 1wcq s VAL 148 Cb -0.02 -3.42 0.05 0.00 0.56 0.00 0.00 36.38 33.55 1wcq s VAL 148 CO 0.01 -0.57 -0.07 -0.47 -0.31 0.00 0.00 175.10 173.69 1wcq s TYR 149 N -2.55 3.25 0.15 2.82 5.04 0.61 -3.19 117.35 123.49 1wcq s TYR 149 Ca 0.62 -2.11 0.05 0.00 -2.44 0.00 0.00 57.07 53.19 1wcq s TYR 149 Cb -0.15 -2.00 -0.04 0.00 0.35 0.00 0.00 41.96 40.12 1wcq s TYR 149 CO 0.39 -0.84 0.13 -1.54 -1.34 0.00 0.00 175.55 172.34 1wcq s SER 150 N 1.17 5.54 0.00 4.32 1.04 0.10 -1.40 113.70 124.48 1wcq s SER 150 Ca -0.07 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1wcq s SER 150 Cb -0.20 -1.46 0.00 0.00 0.10 0.00 0.00 66.02 64.47 1wcq s SER 150 CO -0.04 0.09 0.00 0.00 0.98 0.00 0.00 173.24 174.27 1wcq n GLN 151 N -0.22 0.00 0.07 4.02 6.02 -1.26 -0.89 117.38 125.13 1wcq n GLN 151 Ca -0.08 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 56.99 1wcq n GLN 151 Cb 0.54 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.76 1wcq n GLN 151 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1wcq n ARG 152 N 0.00 0.62 -4.96 -1.09 1.74 0.37 -4.82 116.66 108.52 1wcq n ARG 152 Ca 0.00 0.10 -0.28 0.00 -0.77 0.00 0.00 57.85 56.90 1wcq n ARG 152 Cb 0.00 -1.78 -0.15 0.00 -1.02 0.00 0.00 32.46 29.51 1wcq n ARG 152 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1wcq s GLN 153 N -3.28 1.73 0.00 5.56 -1.52 -1.25 -4.81 119.66 116.09 1wcq s GLN 153 Ca -0.02 -0.92 0.00 0.00 -1.95 0.00 0.00 55.36 52.47 1wcq s GLN 153 Cb 0.10 -1.77 0.00 0.00 -0.22 0.00 0.00 33.01 31.12 1wcq s GLN 153 CO 0.81 0.47 0.00 0.41 -0.25 0.00 0.00 175.29 176.73 1wcq n GLY 154 N 2.17 1.79 0.11 3.09 0.00 -1.26 -4.43 105.19 106.65 1wcq n GLY 154 Ca -0.16 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 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 0.32 -0.36 1.61 3.57 -1.95 -1.85 116.94 118.28 1wcq h PHE 155 Ca 0.00 -0.16 -0.11 0.00 3.53 0.00 0.00 57.97 61.24 1wcq h PHE 155 Cb 0.00 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1wcq h PHE 155 CO 0.00 0.93 -0.21 0.00 -2.23 0.00 0.00 178.31 176.80 1wcq h ALA 156 N 0.32 0.95 -0.01 2.41 0.00 -1.96 -3.21 119.26 117.77 1wcq h ALA 156 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1wcq h ALA 156 Cb 0.99 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1wcq h ALA 156 CO 0.06 0.61 -0.31 0.41 0.00 0.00 0.00 179.25 180.01 1wcq n GLY 157 N -0.31 -0.61 3.72 0.00 0.00 -1.22 -4.96 105.19 101.82 1wcq n GLY 157 Ca 0.00 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 1wcq n GLY 157 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wcq n SER 158 N -0.68 2.65 -4.65 1.61 2.88 -0.70 -4.87 113.62 109.86 1wcq n SER 158 Ca 0.11 1.05 -0.23 0.00 -1.33 0.00 0.00 58.87 58.47 1wcq n SER 158 Cb 0.36 -1.54 -0.07 0.00 -0.75 0.00 0.00 64.21 62.21 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 -2.50 2.33 0.60 -1.46 0.52 -0.63 -4.65 118.95 113.16 1wcq s ARG 159 Ca 0.65 -1.36 -0.19 0.00 -0.52 0.00 0.00 55.73 54.31 1wcq s ARG 159 Cb -0.46 -2.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.77 1wcq s ARG 159 CO 0.55 0.38 1.22 -2.30 0.02 0.00 0.00 175.30 175.16 1wcq n PRO 160 N -0.80 1.23 0.00 3.54 -0.02 -1.26 -4.59 135.00 133.10 1wcq n PRO 160 Ca -0.07 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1wcq n PRO 160 Cb 0.58 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 0.98 3.81 0.00 -1.23 0.00 -1.26 -4.97 105.19 102.52 1wcq n GLY 161 Ca 0.14 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.67 0.01 -1.92 2.61 -2.24 -1.26 -4.98 114.28 104.84 1wcq n THR 162 Ca 0.00 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 1wcq n THR 162 Cb 0.00 1.78 -0.03 0.00 -2.10 0.00 0.00 70.33 69.98 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 -0.01 6.59 0.55 3.42 -1.08 -1.26 -4.22 116.67 120.66 1wcq s ASP 163 Ca 0.00 2.57 0.27 0.00 -0.52 0.00 0.00 52.55 54.87 1wcq s ASP 163 Cb 0.00 -2.58 1.45 0.00 -1.46 0.00 0.00 42.92 40.33 1wcq s ASP 163 CO 0.00 -0.85 1.97 -0.65 0.52 0.00 0.00 175.17 176.16 1wcq h PRO 164 N 7.46 0.00 -0.01 4.34 0.11 -1.97 -1.49 132.00 140.44 1wcq h PRO 164 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1wcq h PRO 164 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1wcq h PRO 164 CO 0.92 0.00 -0.22 0.00 -0.21 0.00 0.00 178.00 178.49 1wcq n ALA 165 N -2.56 3.00 -1.71 -0.75 0.00 -1.26 -4.93 120.51 112.30 1wcq n ALA 165 Ca 0.10 -0.44 -0.43 0.00 0.00 0.00 0.00 53.44 52.67 1wcq n ALA 165 Cb 0.63 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 1wcq n ALA 165 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wcq s ASP 166 N -2.39 5.68 0.00 0.00 -1.08 -0.56 -4.86 116.67 113.47 1wcq s ASP 166 Ca 0.27 1.85 0.15 0.00 -0.52 0.00 0.00 52.55 54.30 1wcq s ASP 166 Cb 0.19 -2.52 0.77 0.00 -1.46 0.00 0.00 42.92 39.91 1wcq s ASP 166 CO 0.48 -1.79 1.40 -0.81 0.52 0.00 0.00 175.17 174.98 1wcq n PRO 167 N 8.51 0.25 -0.11 4.34 -0.04 -1.26 -2.64 135.00 144.05 1wcq n PRO 167 Ca 0.27 0.13 0.04 0.00 -0.04 0.00 0.00 63.50 63.89 1wcq n PRO 167 Cb 0.45 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.25 2.53 -4.57 3.54 3.02 -1.26 -0.48 115.26 116.80 1wcq n ASN 168 Ca 0.08 -1.93 -0.34 0.00 -0.03 0.00 0.00 54.58 52.36 1wcq n ASN 168 Cb 0.11 -0.14 -0.11 0.00 -0.61 0.00 0.00 39.78 39.03 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 -0.96 4.07 -0.65 2.41 1.01 -1.08 -1.60 120.40 123.60 1wcq s VAL 169 Ca 0.15 -0.31 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 1wcq s VAL 169 Cb 0.08 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.73 1wcq s VAL 169 CO 0.11 0.53 1.22 -0.22 0.00 0.00 0.00 175.10 176.74 1wcq s LEU 170 N -0.06 3.35 0.35 3.92 2.96 -1.26 -4.53 118.68 123.40 1wcq s LEU 170 Ca 0.02 -0.14 -0.26 0.00 -0.22 0.00 0.00 54.13 53.53 1wcq s LEU 170 Cb -0.13 -2.90 -0.09 0.00 0.50 0.00 0.00 46.19 43.57 1wcq s LEU 170 CO 0.02 -1.63 1.02 -1.00 -1.32 0.00 0.00 176.35 173.44 1wcq s HIS 171 N 5.26 3.49 -0.51 5.38 3.76 -0.49 -4.47 115.29 127.71 1wcq s HIS 171 Ca 0.39 1.71 -0.23 0.00 -0.15 0.00 0.00 55.06 56.78 1wcq s HIS 171 Cb -0.08 -3.08 0.04 0.00 1.11 0.00 0.00 32.58 30.57 1wcq s HIS 171 CO 0.21 -0.30 0.85 0.00 -0.85 0.00 0.00 174.74 174.65 1wcq s ALA 172 N -1.55 3.23 0.21 -1.40 0.00 -1.26 -0.28 121.76 120.72 1wcq s ALA 172 Ca 0.52 -1.25 0.06 0.00 0.00 0.00 0.00 51.96 51.30 1wcq s ALA 172 Cb -0.23 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 1wcq s ALA 172 CO 0.29 -2.19 0.17 -0.80 0.00 0.00 0.00 175.76 173.22 1wcq s ASN 173 N 2.62 5.50 -0.05 0.00 -0.87 -0.41 -0.24 114.94 121.49 1wcq s ASN 173 Ca 0.28 -0.21 -0.03 0.00 -1.57 0.00 0.00 52.86 51.33 1wcq s ASN 173 Cb -0.13 -1.41 0.02 0.00 -0.02 0.00 0.00 41.25 39.71 1wcq s ASN 173 CO 0.19 0.01 0.11 0.54 -2.57 0.00 0.00 177.10 175.38 1wcq s VAL 174 N -1.97 -0.02 -0.05 1.60 0.11 -0.57 -2.04 120.40 117.45 1wcq s VAL 174 Ca 0.32 0.09 -0.10 0.00 -2.93 0.00 0.00 61.98 59.35 1wcq s VAL 174 Cb -0.09 -0.18 -0.05 0.00 -1.53 0.00 0.00 36.38 34.53 1wcq s VAL 174 CO 0.24 0.04 0.28 0.00 -3.33 0.00 0.00 175.10 172.33 1wcq s ALA 175 N 0.58 3.79 -0.07 1.54 0.00 0.72 -0.92 121.76 127.40 1wcq s ALA 175 Ca -0.04 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.52 1wcq s ALA 175 Cb -0.06 -2.17 -0.00 0.00 0.00 0.00 0.00 23.12 20.89 1wcq s ALA 175 CO -0.03 0.56 -0.20 0.99 0.00 0.00 0.00 175.76 177.09 1wcq s THR 176 N -1.10 1.70 -0.11 0.00 2.01 0.21 -0.64 115.64 117.72 1wcq s THR 176 Ca 0.21 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1wcq s THR 176 Cb -0.14 -1.48 0.01 0.00 0.01 0.00 0.00 72.50 70.90 1wcq s THR 176 CO 0.10 0.48 -0.17 -0.55 -0.69 0.00 0.00 174.62 173.79 1wcq s SER 177 N 0.24 2.55 0.00 3.53 0.15 0.18 -1.29 113.70 119.06 1wcq s SER 177 Ca -0.11 -0.46 0.23 0.00 0.70 0.00 0.00 55.95 56.31 1wcq s SER 177 Cb -0.15 -1.15 0.52 0.00 -1.71 0.00 0.00 66.02 63.53 1wcq s SER 177 CO 0.05 0.04 1.46 0.35 1.20 0.00 0.00 173.24 176.34 1wcq n THR 178 N 4.09 0.72 -2.25 6.45 -2.24 -1.26 -0.55 114.28 119.23 1wcq n THR 178 Ca -0.19 -0.86 -0.17 0.00 -2.27 0.00 0.00 64.05 60.56 1wcq n THR 178 Cb 0.51 0.78 0.03 0.00 -2.10 0.00 0.00 70.33 69.56 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 1.56 3.95 -0.29 3.42 5.68 -1.26 -4.95 116.55 124.66 1wcq n ASP 179 Ca 0.22 -3.26 -0.03 0.00 -0.50 0.00 0.00 54.79 51.21 1wcq n ASP 179 Cb 0.61 -0.38 -0.01 0.00 -1.14 0.00 0.00 41.12 40.20 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 -0.68 0.52 1.18 6.12 0.00 -1.26 -3.38 105.19 107.69 1wcq n GLY 180 Ca 0.33 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.14 0.73 0.14 -0.02 0.00 -1.26 -4.97 105.19 97.66 1wcq n GLY 181 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 0.69 -8.31 0.99 3.38 -1.96 -3.47 115.31 106.62 1wcq h LEU 182 Ca 0.00 -0.91 -0.22 0.00 0.09 0.00 0.00 57.88 56.84 1wcq h LEU 182 Cb 0.00 -0.22 -0.17 0.00 0.09 0.00 0.00 40.66 40.36 1wcq h LEU 182 CO 0.00 1.54 -0.70 0.42 0.09 0.00 0.00 178.44 179.79 1wcq s THR 183 N -2.62 0.55 -0.00 0.22 -4.23 -1.26 -5.11 115.64 103.17 1wcq s THR 183 Ca -0.11 -1.63 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 1wcq s THR 183 Cb 0.03 -1.29 0.00 0.00 1.34 0.00 0.00 72.50 72.58 1wcq s THR 183 CO 0.89 -0.74 -0.02 0.26 -0.54 0.00 0.00 174.62 174.47 1wcq s TRP 184 N -2.95 0.19 0.31 3.99 0.52 -1.26 -4.31 118.94 115.42 1wcq s TRP 184 Ca 0.04 -0.03 0.07 0.00 0.02 0.00 0.00 56.10 56.20 1wcq s TRP 184 Cb 0.01 -0.13 -0.02 0.00 -1.15 0.00 0.00 33.47 32.17 1wcq s TRP 184 CO -0.04 -0.01 0.32 -1.54 0.02 0.00 0.00 176.95 175.70 1wcq s SER 185 N 0.02 5.56 -0.02 2.95 1.04 -0.41 -4.89 113.70 117.95 1wcq s SER 185 Ca 0.00 -0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.13 1wcq s SER 185 Cb -0.02 -1.17 -0.01 0.00 0.10 0.00 0.00 66.02 64.93 1wcq s SER 185 CO -0.00 -0.30 -0.13 -1.00 0.98 0.00 0.00 173.24 172.79 1wcq s HIS 186 N -2.22 1.23 0.07 5.02 0.09 -1.26 -0.62 115.29 117.60 1wcq s HIS 186 Ca 0.40 -0.27 0.01 0.00 -0.00 0.00 0.00 55.06 55.19 1wcq s HIS 186 Cb -0.07 -0.82 -0.04 0.00 -0.00 0.00 0.00 32.58 31.65 1wcq s HIS 186 CO 0.27 -0.06 -0.05 -0.98 -0.00 0.00 0.00 174.74 173.92 1wcq s ARG 187 N -0.13 0.69 -0.17 1.40 1.70 -0.10 -5.01 118.95 117.33 1wcq s ARG 187 Ca 0.02 -1.19 -0.05 0.00 -0.47 0.00 0.00 55.73 54.04 1wcq s ARG 187 Cb -0.07 -0.06 -0.03 0.00 -0.57 0.00 0.00 34.95 34.22 1wcq s ARG 187 CO 0.00 -0.04 -0.01 0.99 -1.08 0.00 0.00 175.30 175.16 1wcq s THR 188 N -3.33 4.07 -0.08 4.99 2.01 -1.26 -1.52 115.64 120.52 1wcq s THR 188 Ca 0.06 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 61.78 1wcq s THR 188 Cb 0.03 -2.81 0.03 0.00 0.01 0.00 0.00 72.50 69.76 1wcq s THR 188 CO -0.06 0.47 1.00 2.30 -0.69 0.00 0.00 174.62 177.64 1wcq n ILE 189 N 3.73 0.95 -0.20 1.82 -5.35 0.67 -4.80 119.36 116.18 1wcq n ILE 189 Ca -0.17 -0.98 -0.02 0.00 -0.27 0.00 0.00 62.75 61.31 1wcq n ILE 189 Cb 0.52 0.53 0.05 0.00 -1.74 0.00 0.00 39.64 39.00 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 0.17 0.33 -0.99 7.28 2.02 -1.87 0.40 112.91 120.25 1wcq h THR 190 Ca 0.00 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.35 1wcq h THR 190 Cb 0.50 0.33 -0.10 0.00 -1.74 0.00 0.00 68.15 67.14 1wcq h THR 190 CO 0.00 0.00 0.62 0.00 0.37 0.00 0.00 175.52 176.51 1wcq h ALA 191 N 1.47 1.68 0.00 6.16 0.00 -1.87 -2.55 119.26 124.15 1wcq h ALA 191 Ca 0.28 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1wcq h ALA 191 Cb 0.48 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1wcq h ALA 191 CO -0.64 -0.00 -0.13 -0.44 0.00 0.00 0.00 179.25 178.03 1wcq h ASP 192 N 0.80 0.00 0.00 0.00 3.32 -1.23 -3.28 116.42 116.03 1wcq h ASP 192 Ca 0.54 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.59 1wcq h ASP 192 Cb 0.79 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 1wcq h ASP 192 CO -0.32 0.13 -0.21 2.30 -1.72 0.00 0.00 179.24 179.42 1wcq n ILE 193 N -3.18 1.99 -3.50 0.35 -5.35 -0.98 -4.13 119.36 104.55 1wcq n ILE 193 Ca 0.02 -2.64 -0.27 0.00 -0.27 0.00 0.00 62.75 59.59 1wcq n ILE 193 Cb 0.48 -0.23 -0.09 0.00 -1.74 0.00 0.00 39.64 38.06 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 -1.29 0.94 0.38 7.28 -1.04 -1.07 -4.51 114.28 114.97 1wcq n THR 194 Ca 0.17 -4.58 0.13 0.00 -2.04 0.00 0.00 64.05 57.74 1wcq n THR 194 Cb 0.66 -2.02 0.38 0.00 -1.82 0.00 0.00 70.33 67.54 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 4.72 0.00 -4.90 -2.82 0.13 -1.87 -3.41 132.00 123.85 1wcq h PRO 195 Ca 0.17 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.63 1wcq h PRO 195 Cb 0.77 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.62 1wcq h PRO 195 CO 0.65 0.00 -0.70 0.34 -0.23 0.00 0.00 178.00 178.06 1wcq s ASP 196 N -5.33 4.58 0.22 1.44 -1.08 -1.26 -4.97 116.67 110.26 1wcq s ASP 196 Ca 0.07 -0.67 0.17 0.00 -0.52 0.00 0.00 52.55 51.60 1wcq s ASP 196 Cb 0.09 -1.76 0.85 0.00 -1.46 0.00 0.00 42.92 40.64 1wcq s ASP 196 CO 0.58 -0.11 1.53 -0.81 0.52 0.00 0.00 175.17 176.88 1wcq n PRO 197 N 4.77 0.11 0.08 4.34 -0.04 -1.26 -0.71 135.00 142.30 1wcq n PRO 197 Ca -0.16 0.52 0.11 0.00 -0.04 0.00 0.00 63.50 63.93 1wcq n PRO 197 Cb 0.49 -1.81 0.44 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.88 -1.29 3.58 0.55 0.00 -1.26 -4.64 105.19 101.25 1wcq n GLY 198 Ca 0.00 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.18 2.60 -0.39 1.61 0.52 0.11 -1.81 118.94 118.40 1wcq s TRP 199 Ca 0.07 0.37 0.17 0.00 0.02 0.00 0.00 56.10 56.73 1wcq s TRP 199 Cb 0.11 -4.50 -0.23 0.00 -1.15 0.00 0.00 33.47 27.70 1wcq s TRP 199 CO 0.40 -1.60 0.55 2.89 0.02 0.00 0.00 176.95 179.21 1wcq n ARG 200 N 8.43 0.92 -3.78 4.98 1.85 -0.53 -4.68 116.66 123.86 1wcq n ARG 200 Ca 0.08 -0.08 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 1wcq n ARG 200 Cb 0.49 -1.37 -0.08 0.00 -1.05 0.00 0.00 32.46 30.45 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 -3.36 -0.11 0.06 2.89 0.15 -1.24 -3.49 113.70 108.60 1wcq s SER 201 Ca -0.00 -0.15 -0.27 0.00 0.70 0.00 0.00 55.95 56.23 1wcq s SER 201 Cb 0.12 0.33 0.09 0.00 -1.71 0.00 0.00 66.02 64.85 1wcq s SER 201 CO 0.72 -0.56 0.81 0.00 1.20 0.00 0.00 173.24 175.41 1wcq s ARG 202 N -2.22 1.00 -0.25 5.44 3.03 -1.26 -2.16 118.95 122.53 1wcq s ARG 202 Ca -0.07 -0.39 -0.23 0.00 2.03 0.00 0.00 55.73 57.06 1wcq s ARG 202 Cb -0.02 0.44 0.07 0.00 -1.03 0.00 0.00 34.95 34.41 1wcq s ARG 202 CO -0.01 -0.44 0.67 -0.59 -1.13 0.00 0.00 175.30 173.80 1wcq s PHE 203 N -3.32 -0.74 0.20 5.89 -0.12 -0.83 -4.75 117.98 114.31 1wcq s PHE 203 Ca 0.05 1.80 -0.31 0.00 -0.05 0.00 0.00 56.93 58.42 1wcq s PHE 203 Cb -0.01 0.26 -0.10 0.00 -0.63 0.00 0.00 43.02 42.54 1wcq s PHE 203 CO -0.09 -0.36 1.49 0.00 -0.05 0.00 0.00 175.22 176.21 1wcq s ALA 204 N 0.38 3.69 -0.03 1.99 0.00 -1.26 -1.49 121.76 125.03 1wcq s ALA 204 Ca -0.00 1.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.99 1wcq s ALA 204 Cb -0.05 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 1wcq s ALA 204 CO 0.01 -0.75 1.61 0.00 0.00 0.00 0.00 175.76 176.62 1wcq s ALA 205 N 0.57 3.63 0.51 0.00 0.00 -0.38 -4.92 121.76 121.16 1wcq s ALA 205 Ca 0.64 0.95 -0.21 0.00 0.00 0.00 0.00 51.96 53.35 1wcq s ALA 205 Cb -0.42 -3.71 -0.06 0.00 0.00 0.00 0.00 23.12 18.92 1wcq s ALA 205 CO 0.37 -1.28 1.15 -1.54 0.00 0.00 0.00 175.76 174.46 1wcq s SER 206 N 2.96 5.90 0.00 0.00 1.04 -1.26 -4.67 113.70 117.67 1wcq s SER 206 Ca 0.72 2.26 0.00 0.00 0.48 0.00 0.00 55.95 59.40 1wcq s SER 206 Cb -0.34 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.19 1wcq s SER 206 CO 0.29 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1wcq n GLY 207 N 0.32 0.73 3.13 7.32 0.00 -0.51 -4.93 105.19 111.25 1wcq n GLY 207 Ca 0.10 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 0.28 0.02 1.61 2.12 -1.26 -1.97 118.70 119.50 1wcq s GLU 208 Ca 0.00 0.52 0.00 0.00 0.36 0.00 0.00 54.97 55.85 1wcq s GLU 208 Cb 0.00 -0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.39 1wcq s GLU 208 CO 0.00 -0.12 0.02 0.41 -0.54 0.00 0.00 175.26 175.03 1wcq n GLY 209 N 3.76 0.89 3.26 -1.50 0.00 -0.02 -4.90 105.19 106.69 1wcq n GLY 209 Ca -0.20 -1.98 -0.14 0.00 0.00 0.00 0.00 46.02 43.69 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 0.25 0.31 -0.12 -0.61 -4.36 -0.68 -4.73 121.20 111.27 1wcq s ILE 210 Ca 0.01 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.43 1wcq s ILE 210 Cb -0.00 -2.57 0.01 0.00 1.25 0.00 0.00 42.46 41.15 1wcq s ILE 210 CO 0.01 -0.01 -0.21 -1.58 0.24 0.00 0.00 174.94 173.39 1wcq s GLN 211 N -4.09 2.84 0.43 0.37 0.74 -1.26 -1.15 119.66 117.53 1wcq s GLN 211 Ca 0.38 -0.79 -0.26 0.00 0.05 0.00 0.00 55.36 54.74 1wcq s GLN 211 Cb 0.07 -2.27 -0.09 0.00 1.10 0.00 0.00 33.01 31.83 1wcq s GLN 211 CO 0.13 0.03 1.37 -0.51 -0.55 0.00 0.00 175.29 175.76 1wcq s LEU 212 N 0.71 4.17 -0.01 3.68 1.43 -0.44 -4.90 118.68 123.33 1wcq s LEU 212 Ca -0.10 2.79 0.08 0.00 -1.03 0.00 0.00 54.13 55.86 1wcq s LEU 212 Cb -0.16 -3.91 -0.11 0.00 0.03 0.00 0.00 46.19 42.04 1wcq s LEU 212 CO 0.01 -1.01 0.24 0.54 0.23 0.00 0.00 176.35 176.36 1wcq n ARG 213 N -0.02 2.07 -4.39 1.70 5.12 -1.26 -0.69 116.66 119.20 1wcq n ARG 213 Ca 0.04 -0.04 -0.24 0.00 -1.93 0.00 0.00 57.85 55.68 1wcq n ARG 213 Cb 0.43 -1.05 -0.09 0.00 -1.16 0.00 0.00 32.46 30.59 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 -2.19 2.49 0.00 -1.55 2.02 -1.26 -4.83 117.35 112.03 1wcq s TYR 214 Ca -0.00 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1wcq s TYR 214 Cb 0.05 -1.17 0.00 0.00 -0.40 0.00 0.00 41.96 40.45 1wcq s TYR 214 CO 0.32 0.64 0.00 0.41 -1.57 0.00 0.00 175.55 175.35 1wcq n GLY 215 N -0.79 -1.84 0.22 0.71 0.00 -1.26 -2.82 105.19 99.41 1wcq n GLY 215 Ca -0.05 -1.51 0.15 0.00 0.00 0.00 0.00 46.02 44.60 1wcq n GLY 215 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wcq h PRO 216 N 0.00 0.00 -0.64 1.61 0.13 -2.00 -2.94 132.00 128.16 1wcq h PRO 216 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wcq h PRO 216 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wcq h PRO 216 CO 0.00 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.49 1wcq n HIS 217 N -2.87 1.28 -1.58 1.56 8.25 -1.26 -5.01 115.22 115.60 1wcq n HIS 217 Ca 0.02 -0.59 -0.54 0.00 -0.26 0.00 0.00 57.72 56.35 1wcq n HIS 217 Cb 0.36 -0.18 -0.07 0.00 1.12 0.00 0.00 29.99 31.23 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 1.15 -1.57 0.00 -1.41 0.00 -1.12 -0.60 120.51 116.96 1wcq n ALA 218 Ca 0.24 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.22 1wcq n ALA 218 Cb 0.80 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 2.36 1.90 3.72 0.00 0.00 0.14 -4.97 105.19 108.34 1wcq n GLY 219 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.76 4.15 -0.16 1.61 3.52 0.23 -4.73 118.95 122.81 1wcq s ARG 220 Ca 0.00 2.54 -0.16 0.00 -0.13 0.00 0.00 55.73 57.98 1wcq s ARG 220 Cb 0.00 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.26 1wcq s ARG 220 CO 0.00 -0.69 0.39 -0.51 -0.81 0.00 0.00 175.30 173.68 1wcq s LEU 221 N 0.89 4.22 -0.17 -0.88 1.43 -0.51 -1.32 118.68 122.33 1wcq s LEU 221 Ca 0.72 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 54.43 1wcq s LEU 221 Cb -0.48 -2.52 0.03 0.00 0.03 0.00 0.00 46.19 43.25 1wcq s LEU 221 CO 0.34 0.01 -0.14 -0.63 0.23 0.00 0.00 176.35 176.17 1wcq s ILE 222 N 0.80 1.67 -0.09 -0.59 1.01 -0.30 -1.80 121.20 121.89 1wcq s ILE 222 Ca 0.20 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.07 1wcq s ILE 222 Cb -0.14 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 1wcq s ILE 222 CO 0.07 0.36 -0.20 -1.58 0.00 0.00 0.00 174.94 173.59 1wcq s GLN 223 N 1.42 2.98 0.29 2.79 2.00 0.59 -1.69 119.66 128.05 1wcq s GLN 223 Ca 0.03 -0.81 -0.28 0.00 -2.00 0.00 0.00 55.36 52.30 1wcq s GLN 223 Cb -0.14 -2.37 -0.09 0.00 0.80 0.00 0.00 33.01 31.20 1wcq s GLN 223 CO -0.10 0.28 0.97 -0.65 -0.50 0.00 0.00 175.29 175.29 1wcq s GLN 224 N 0.12 4.66 0.23 1.67 -1.52 -1.26 -0.99 119.66 122.57 1wcq s GLN 224 Ca -0.10 1.46 0.09 0.00 -1.95 0.00 0.00 55.36 54.86 1wcq s GLN 224 Cb -0.16 -3.00 -0.05 0.00 -0.22 0.00 0.00 33.01 29.59 1wcq s GLN 224 CO 0.06 0.32 -0.17 0.71 -0.25 0.00 0.00 175.29 175.96 1wcq s TYR 225 N -1.41 1.94 -0.07 0.91 1.51 0.10 -1.25 117.35 119.08 1wcq s TYR 225 Ca 0.47 -0.47 0.02 0.00 -1.01 0.00 0.00 57.07 56.08 1wcq s TYR 225 Cb -0.23 -0.88 -0.02 0.00 -0.11 0.00 0.00 41.96 40.72 1wcq s TYR 225 CO 0.29 0.49 -0.13 0.99 -1.11 0.00 0.00 175.55 176.08 1wcq s THR 226 N -2.71 3.15 0.26 -0.71 2.01 -0.55 -1.70 115.64 115.39 1wcq s THR 226 Ca 0.25 -0.67 0.12 0.00 0.31 0.00 0.00 61.69 61.69 1wcq s THR 226 Cb -0.03 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.17 1wcq s THR 226 CO 0.10 0.57 -0.20 0.27 -0.69 0.00 0.00 174.62 174.67 1wcq s ILE 227 N -0.44 2.43 -0.13 1.82 -5.25 0.53 -1.96 121.20 118.20 1wcq s ILE 227 Ca 0.05 -2.34 -0.01 0.00 -0.99 0.00 0.00 60.65 57.36 1wcq s ILE 227 Cb -0.12 -2.26 -0.02 0.00 2.95 0.00 0.00 42.46 43.01 1wcq s ILE 227 CO 0.02 -0.36 -0.11 -0.63 -1.79 0.00 0.00 174.94 172.07 1wcq s ILE 228 N -2.39 3.26 0.62 8.37 1.01 -0.92 -1.05 121.20 130.11 1wcq s ILE 228 Ca 0.28 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.42 1wcq s ILE 228 Cb -0.05 -2.38 0.11 0.00 0.01 0.00 0.00 42.46 40.14 1wcq s ILE 228 CO 0.14 0.52 0.86 0.54 0.00 0.00 0.00 174.94 177.00 1wcq s ASN 229 N 0.34 4.87 0.53 3.58 2.20 -0.80 -1.45 114.94 124.20 1wcq s ASN 229 Ca -0.09 -0.83 0.18 0.00 -0.94 0.00 0.00 52.86 51.17 1wcq s ASN 229 Cb -0.15 0.40 1.32 0.00 -2.00 0.00 0.00 41.25 40.81 1wcq s ASN 229 CO 0.05 -1.53 2.15 0.00 -2.94 0.00 0.00 177.10 174.83 1wcq h ALA 230 N -0.02 1.98 0.00 3.54 0.00 -1.71 -0.16 119.26 122.88 1wcq h ALA 230 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1wcq h ALA 230 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1wcq h ALA 230 CO 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1wcq n ALA 231 N -2.52 2.22 -0.62 0.00 0.00 -1.26 -4.92 120.51 113.40 1wcq n ALA 231 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1wcq n ALA 231 Cb 0.11 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1wcq n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wcq n GLY 232 N 1.22 0.75 3.80 0.00 0.00 -0.07 -5.06 105.19 105.83 1wcq n GLY 232 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.60 3.23 -0.24 4.61 0.00 -1.26 -4.77 121.76 120.73 1wcq s ALA 233 Ca 0.00 0.41 -0.23 0.00 0.00 0.00 0.00 51.96 52.14 1wcq s ALA 233 Cb 0.00 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 1wcq s ALA 233 CO 0.00 0.21 0.74 -0.06 0.00 0.00 0.00 175.76 176.64 1wcq s PHE 234 N -1.69 3.31 0.21 0.00 0.40 -1.26 -1.90 117.98 117.04 1wcq s PHE 234 Ca 0.51 1.00 0.11 0.00 -0.60 0.00 0.00 56.93 57.94 1wcq s PHE 234 Cb -0.16 -2.95 -0.05 0.00 0.51 0.00 0.00 43.02 40.37 1wcq s PHE 234 CO 0.21 -0.35 -0.22 -0.65 0.70 0.00 0.00 175.22 174.91 1wcq s GLN 235 N 2.63 1.50 0.07 0.44 -0.21 -0.21 -1.59 119.66 122.29 1wcq s GLN 235 Ca 0.31 -1.56 -0.12 0.00 0.02 0.00 0.00 55.36 54.01 1wcq s GLN 235 Cb -0.15 -1.71 -0.06 0.00 1.00 0.00 0.00 33.01 32.09 1wcq s GLN 235 CO 0.08 0.35 0.44 0.00 -2.12 0.00 0.00 175.29 174.04 1wcq s ALA 236 N -1.97 3.69 -0.10 6.09 0.00 -0.77 -0.34 121.76 128.35 1wcq s ALA 236 Ca 0.22 -0.28 -0.15 0.00 0.00 0.00 0.00 51.96 51.74 1wcq s ALA 236 Cb -0.07 -2.36 0.04 0.00 0.00 0.00 0.00 23.12 20.73 1wcq s ALA 236 CO 0.10 0.52 0.39 0.54 0.00 0.00 0.00 175.76 177.31 1wcq s VAL 237 N -1.33 0.02 -0.03 0.00 0.11 -0.69 -0.92 120.40 117.56 1wcq s VAL 237 Ca 0.32 -0.14 -0.17 0.00 -2.93 0.00 0.00 61.98 59.06 1wcq s VAL 237 Cb -0.15 -0.60 -0.05 0.00 -1.53 0.00 0.00 36.38 34.04 1wcq s VAL 237 CO 0.17 -0.08 0.45 -0.44 -3.33 0.00 0.00 175.10 171.88 1wcq s SER 238 N -0.33 6.81 -0.07 3.54 0.01 -1.26 0.03 113.70 122.42 1wcq s SER 238 Ca -0.05 0.96 0.03 0.00 1.31 0.00 0.00 55.95 58.20 1wcq s SER 238 Cb -0.03 -2.28 -0.02 0.00 0.21 0.00 0.00 66.02 63.90 1wcq s SER 238 CO 0.02 0.21 -0.16 -0.69 0.41 0.00 0.00 173.24 173.04 1wcq s VAL 239 N -0.52 2.91 0.07 3.43 1.01 -0.16 -0.88 120.40 126.26 1wcq s VAL 239 Ca 0.25 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 1wcq s VAL 239 Cb -0.17 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.07 1wcq s VAL 239 CO 0.13 0.57 0.24 -0.72 0.00 0.00 0.00 175.10 175.32 1wcq s TYR 240 N -0.38 0.03 -0.04 5.22 -0.85 -0.72 -0.30 117.35 120.31 1wcq s TYR 240 Ca 0.04 -0.32 0.02 0.00 -0.52 0.00 0.00 57.07 56.29 1wcq s TYR 240 Cb -0.12 0.02 0.01 0.00 0.38 0.00 0.00 41.96 42.25 1wcq s TYR 240 CO 0.02 -0.52 -0.08 0.45 -1.52 0.00 0.00 175.55 173.90 1wcq s SER 241 N -2.45 1.24 -0.04 -0.18 0.15 -0.75 -1.99 113.70 109.69 1wcq s SER 241 Ca -0.00 -0.19 0.13 0.00 0.70 0.00 0.00 55.95 56.58 1wcq s SER 241 Cb 0.02 -0.50 0.40 0.00 -1.71 0.00 0.00 66.02 64.22 1wcq s SER 241 CO -0.07 0.01 1.33 0.47 1.20 0.00 0.00 173.24 176.18 1wcq n ASP 242 N 3.69 3.29 -2.60 5.45 8.00 -1.26 -1.42 116.55 131.70 1wcq n ASP 242 Ca -0.22 -2.22 -0.08 0.00 0.71 0.00 0.00 54.79 52.98 1wcq n ASP 242 Cb 0.52 -0.33 0.04 0.00 -0.02 0.00 0.00 41.12 41.33 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 0.43 2.54 -2.62 -2.24 5.68 -1.26 -4.97 116.55 114.11 1wcq n ASP 243 Ca 0.15 -2.58 -0.19 0.00 -0.50 0.00 0.00 54.79 51.68 1wcq n ASP 243 Cb 0.56 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 -0.59 -1.40 0.00 2.11 8.25 -1.26 -2.55 115.22 119.78 1wcq n HIS 244 Ca 0.18 0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1wcq n HIS 244 Cb 0.84 -3.57 0.00 0.00 1.12 0.00 0.00 29.99 28.38 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 -1.06 0.47 0.09 -1.41 0.00 -1.26 -4.97 105.19 97.06 1wcq n GLY 245 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1wcq n GLY 245 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1wcq h ARG 246 N 4.67 0.19 -5.40 1.61 2.43 -1.92 -3.44 114.38 112.51 1wcq h ARG 246 Ca 0.00 -0.05 -0.42 0.00 -0.81 0.00 0.00 59.98 58.70 1wcq h ARG 246 Cb 0.00 -0.02 -0.20 0.00 -0.42 0.00 0.00 29.97 29.32 1wcq h ARG 246 CO 0.00 0.37 -0.77 0.95 -1.51 0.00 0.00 179.97 179.01 1wcq s THR 247 N -5.24 1.21 0.07 0.20 -4.23 -1.26 -5.13 115.64 101.27 1wcq s THR 247 Ca -0.14 -1.48 0.06 0.00 -1.18 0.00 0.00 61.69 58.95 1wcq s THR 247 Cb 0.06 -1.27 -0.03 0.00 1.34 0.00 0.00 72.50 72.59 1wcq s THR 247 CO 0.70 -0.30 -0.15 0.26 -0.54 0.00 0.00 174.62 174.59 1wcq s TRP 248 N -1.62 1.33 0.08 3.99 0.52 -1.26 -4.38 118.94 117.59 1wcq s TRP 248 Ca 0.03 -0.44 -0.05 0.00 0.02 0.00 0.00 56.10 55.65 1wcq s TRP 248 Cb -0.08 -0.74 -0.02 0.00 -1.15 0.00 0.00 33.47 31.48 1wcq s TRP 248 CO 0.02 0.08 0.09 -0.98 0.02 0.00 0.00 176.95 176.19 1wcq s ARG 249 N -1.73 0.76 0.15 4.98 1.70 -0.84 -4.55 118.95 119.42 1wcq s ARG 249 Ca -0.00 -1.11 -0.15 0.00 -0.47 0.00 0.00 55.73 54.00 1wcq s ARG 249 Cb -0.10 0.28 -0.07 0.00 -0.57 0.00 0.00 34.95 34.49 1wcq s ARG 249 CO 0.03 -0.21 0.57 0.00 -1.08 0.00 0.00 175.30 174.61 1wcq s ALA 250 N -3.90 3.56 0.95 7.88 0.00 -1.26 -1.75 121.76 127.23 1wcq s ALA 250 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1wcq s ALA 250 Cb 0.06 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1wcq s ALA 250 CO -0.09 0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.51 1wcq n GLY 251 N 0.83 0.76 3.82 0.00 0.00 -0.06 -4.99 105.19 105.55 1wcq n GLY 251 Ca -0.05 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 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 0.20 4.04 0.53 1.61 2.02 0.77 -4.86 118.70 123.01 1wcq s GLU 252 Ca 0.00 0.51 -0.14 0.00 0.02 0.00 0.00 54.97 55.36 1wcq s GLU 252 Cb 0.00 -3.24 -0.07 0.00 0.10 0.00 0.00 34.13 30.92 1wcq s GLU 252 CO 0.00 0.63 0.97 0.00 0.02 0.00 0.00 175.26 176.88 1wcq s ALA 253 N -0.94 3.11 -0.01 5.21 0.00 -1.26 -4.66 121.76 123.21 1wcq s ALA 253 Ca 0.25 0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.23 1wcq s ALA 253 Cb -0.17 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1wcq s ALA 253 CO 0.15 -0.34 0.07 0.54 0.00 0.00 0.00 175.76 176.17 1wcq s VAL 254 N -2.76 0.03 0.00 0.00 0.11 -0.10 -4.93 120.40 112.76 1wcq s VAL 254 Ca 0.57 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 1wcq s VAL 254 Cb -0.10 -0.19 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 1wcq s VAL 254 CO 0.38 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.61 1wcq n GLY 255 N 2.52 -1.50 3.19 6.54 0.00 -1.26 -1.85 105.19 112.83 1wcq n GLY 255 Ca -0.16 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.67 0.56 -1.68 1.61 -7.23 -1.26 -4.51 120.40 106.22 1wcq s VAL 256 Ca 0.00 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1wcq s VAL 256 Cb 0.00 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 35.04 1wcq s VAL 256 CO 0.00 -0.66 0.00 0.61 -0.31 0.00 0.00 175.10 174.74 1wcq n GLY 257 N -0.12 1.56 3.94 2.32 0.00 -1.16 -4.96 105.19 106.77 1wcq n GLY 257 Ca -0.09 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.38 1.48 0.00 1.61 1.00 -0.62 -0.46 119.30 118.92 1wcq s MET 258 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 55.69 55.29 1wcq s MET 258 Cb 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 34.83 32.79 1wcq s MET 258 CO 0.00 -1.78 0.00 -3.47 0.00 0.00 0.00 175.02 169.77 1wcq n ASP 259 N -3.29 0.00 -4.68 3.03 -0.08 -1.12 -4.02 116.55 106.39 1wcq n ASP 259 Ca 0.12 0.00 -0.61 0.00 -1.51 0.00 0.00 54.79 52.79 1wcq n ASP 259 Cb 0.60 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.98 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 0.53 -4.12 -0.67 1.02 -1.26 -4.52 120.64 111.62 1wcq n GLU 260 Ca 0.00 0.19 -0.09 0.00 -0.02 0.00 0.00 57.16 57.24 1wcq n GLU 260 Cb 0.00 -1.77 -0.10 0.00 -0.02 0.00 0.00 31.44 29.55 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 2.43 0.81 0.03 1.62 4.22 -1.26 -0.51 114.94 122.28 1wcq s ASN 261 Ca 0.98 -0.92 0.02 0.00 -2.14 0.00 0.00 52.86 50.81 1wcq s ASN 261 Cb -1.26 0.13 -0.02 0.00 1.28 0.00 0.00 41.25 41.38 1wcq s ASN 261 CO 0.69 -0.47 -0.08 -0.54 -2.04 0.00 0.00 177.10 174.65 1wcq s LYS 262 N -3.44 0.55 0.20 3.55 -0.14 0.31 -4.64 119.74 116.12 1wcq s LYS 262 Ca 0.06 -0.60 0.10 0.00 -1.36 0.00 0.00 55.97 54.17 1wcq s LYS 262 Cb 0.03 -0.41 -0.04 0.00 -1.68 0.00 0.00 37.83 35.73 1wcq s LYS 262 CO -0.06 0.09 -0.14 0.95 -0.76 0.00 0.00 175.35 175.43 1wcq s THR 263 N -0.96 2.91 -0.05 2.17 -4.23 -1.26 -0.57 115.64 113.64 1wcq s THR 263 Ca -0.05 -1.86 -0.13 0.00 -1.18 0.00 0.00 61.69 58.47 1wcq s THR 263 Cb -0.07 -2.45 0.02 0.00 1.34 0.00 0.00 72.50 71.34 1wcq s THR 263 CO 0.00 -0.16 0.30 0.54 -0.54 0.00 0.00 174.62 174.76 1wcq s VAL 264 N -1.83 0.04 -0.26 2.29 0.11 -0.74 -4.82 120.40 115.18 1wcq s VAL 264 Ca 0.25 -0.31 -0.17 0.00 -2.93 0.00 0.00 61.98 58.83 1wcq s VAL 264 Cb -0.08 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 1wcq s VAL 264 CO 0.14 -0.17 0.45 -0.70 -3.33 0.00 0.00 175.10 171.50 1wcq s GLU 265 N -0.76 4.05 0.98 1.54 2.12 -1.26 -1.02 118.70 124.35 1wcq s GLU 265 Ca -0.08 0.21 -0.15 0.00 0.36 0.00 0.00 54.97 55.30 1wcq s GLU 265 Cb -0.04 -3.65 0.18 0.00 0.26 0.00 0.00 34.13 30.88 1wcq s GLU 265 CO 0.03 -0.31 1.20 -0.51 -0.54 0.00 0.00 175.26 175.12 1wcq s LEU 266 N 2.18 2.03 0.58 2.70 1.43 0.35 -4.90 118.68 123.04 1wcq s LEU 266 Ca 0.19 0.64 0.33 0.00 -1.03 0.00 0.00 54.13 54.25 1wcq s LEU 266 Cb -0.16 -2.76 1.77 0.00 0.03 0.00 0.00 46.19 45.07 1wcq s LEU 266 CO 0.09 -2.87 2.18 0.77 0.23 0.00 0.00 176.35 176.75 1wcq h SER 267 N -1.73 0.00 -0.25 2.29 4.64 -1.87 -0.92 113.55 115.71 1wcq h SER 267 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1wcq h SER 267 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1wcq h SER 267 CO 0.48 0.05 0.00 -0.90 -0.87 0.00 0.00 176.83 175.59 1wcq n ASP 268 N -3.49 2.71 0.00 4.97 5.75 -1.26 0.23 116.55 125.47 1wcq n ASP 268 Ca -0.02 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 1wcq n ASP 268 Cb 0.17 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 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 0.78 0.90 3.73 6.12 0.00 -0.35 -5.00 105.19 111.36 1wcq n GLY 269 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.66 2.50 -0.21 1.61 0.52 -1.26 -4.69 118.95 116.77 1wcq s ARG 270 Ca 0.00 2.03 -0.03 0.00 -0.52 0.00 0.00 55.73 57.21 1wcq s ARG 270 Cb 0.00 -1.84 -0.00 0.00 0.52 0.00 0.00 34.95 33.62 1wcq s ARG 270 CO 0.00 -1.63 -0.08 0.08 0.02 0.00 0.00 175.30 173.69 1wcq s VAL 271 N -1.47 3.09 -0.16 3.52 1.01 -0.11 -0.49 120.40 125.80 1wcq s VAL 271 Ca 0.82 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 1wcq s VAL 271 Cb -0.36 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1wcq s VAL 271 CO 0.40 0.45 0.36 -0.22 0.00 0.00 0.00 175.10 176.10 1wcq s LEU 272 N 1.37 4.24 -0.13 3.92 2.96 -0.19 -0.49 118.68 130.35 1wcq s LEU 272 Ca 0.05 0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 54.52 1wcq s LEU 272 Cb -0.14 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 1wcq s LEU 272 CO -0.05 0.04 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.78 1wcq s LEU 273 N 0.65 3.35 -0.07 -0.68 0.20 0.18 -1.80 118.68 120.51 1wcq s LEU 273 Ca 0.20 -0.03 -0.00 0.00 0.69 0.00 0.00 54.13 54.98 1wcq s LEU 273 Cb -0.14 -1.79 0.02 0.00 -0.43 0.00 0.00 46.19 43.86 1wcq s LEU 273 CO 0.06 0.25 -0.04 0.21 -0.29 0.00 0.00 176.35 176.55 1wcq s ASN 274 N -0.14 1.51 0.07 3.68 3.84 0.26 -1.62 114.94 122.55 1wcq s ASN 274 Ca 0.03 -0.16 0.07 0.00 0.21 0.00 0.00 52.86 53.01 1wcq s ASN 274 Cb -0.13 -0.55 -0.03 0.00 -0.55 0.00 0.00 41.25 39.99 1wcq s ASN 274 CO 0.02 -0.12 -0.18 -0.55 -2.79 0.00 0.00 177.10 173.48 1wcq s SER 275 N 1.49 2.20 0.48 -4.21 0.15 0.18 -0.53 113.70 113.46 1wcq s SER 275 Ca -0.01 -0.58 -0.22 0.00 0.70 0.00 0.00 55.95 55.83 1wcq s SER 275 Cb -0.13 -0.14 -0.07 0.00 -1.71 0.00 0.00 66.02 63.97 1wcq s SER 275 CO -0.04 0.06 1.19 -0.60 1.20 0.00 0.00 173.24 175.05 1wcq s ARG 276 N -1.53 3.64 -0.39 5.44 3.52 0.34 -1.55 118.95 128.42 1wcq s ARG 276 Ca 0.04 1.82 -0.08 0.00 -0.13 0.00 0.00 55.73 57.38 1wcq s ARG 276 Cb -0.09 -2.35 0.06 0.00 -1.56 0.00 0.00 34.95 31.01 1wcq s ARG 276 CO 0.03 -0.66 0.21 0.34 -0.81 0.00 0.00 175.30 174.40 1wcq s ASP 277 N -1.35 5.54 0.00 -2.12 2.15 -1.26 -2.80 116.67 116.83 1wcq s ASP 277 Ca 0.65 -1.37 0.18 0.00 0.43 0.00 0.00 52.55 52.44 1wcq s ASP 277 Cb -0.30 -1.95 0.78 0.00 -0.30 0.00 0.00 42.92 41.16 1wcq s ASP 277 CO 0.36 -0.46 1.56 -1.54 -0.17 0.00 0.00 175.17 174.91 1wcq n SER 278 N 4.88 0.00 -0.64 -0.34 3.41 0.39 -1.69 113.62 119.63 1wcq n SER 278 Ca -0.10 0.40 0.12 0.00 -0.26 0.00 0.00 58.87 59.02 1wcq n SER 278 Cb 0.44 -0.45 0.38 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.45 2.52 -3.61 7.33 0.00 -1.24 -4.99 120.51 119.07 1wcq n ALA 279 Ca 0.05 -0.56 -0.20 0.00 0.00 0.00 0.00 53.44 52.73 1wcq n ALA 279 Cb 0.19 -1.06 0.05 0.00 0.00 0.00 0.00 19.45 18.64 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 0.53 -5.62 0.27 0.00 1.74 -0.68 -4.91 116.66 107.98 1wcq n ARG 280 Ca 0.17 0.70 0.14 0.00 -0.77 0.00 0.00 57.85 58.10 1wcq n ARG 280 Cb 0.41 -5.45 0.79 0.00 -1.02 0.00 0.00 32.46 27.18 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 -1.92 0.00 0.00 0.55 4.64 -1.92 -3.45 113.55 111.45 1wcq h SER 281 Ca -0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1wcq h SER 281 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1wcq h SER 281 CO 0.55 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 1wcq n GLY 282 N -0.81 0.88 3.24 -0.77 0.00 -1.26 -4.77 105.19 101.70 1wcq n GLY 282 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 0.48 0.47 1.61 2.02 -1.21 -0.53 117.35 118.18 1wcq s TYR 283 Ca 0.00 -0.88 -0.20 0.00 -0.37 0.00 0.00 57.07 55.62 1wcq s TYR 283 Cb 0.00 -0.20 -0.09 0.00 -0.40 0.00 0.00 41.96 41.27 1wcq s TYR 283 CO 0.00 -0.60 1.02 1.03 -1.57 0.00 0.00 175.55 175.43 1wcq s ARG 284 N -3.96 3.91 0.04 -0.62 1.81 -0.70 -4.29 118.95 115.14 1wcq s ARG 284 Ca 0.15 1.31 -0.00 0.00 -1.72 0.00 0.00 55.73 55.47 1wcq s ARG 284 Cb 0.05 -2.12 -0.04 0.00 -0.45 0.00 0.00 34.95 32.39 1wcq s ARG 284 CO -0.03 -0.33 0.16 0.15 -0.68 0.00 0.00 175.30 174.57 1wcq s LYS 285 N -3.20 3.28 0.02 3.54 1.02 -0.59 -0.30 119.74 123.51 1wcq s LYS 285 Ca 0.66 -0.47 0.01 0.00 0.02 0.00 0.00 55.97 56.18 1wcq s LYS 285 Cb -0.15 -2.97 -0.02 0.00 -0.52 0.00 0.00 37.83 34.17 1wcq s LYS 285 CO 0.18 0.62 -0.04 0.14 -0.92 0.00 0.00 175.35 175.33 1wcq s VAL 286 N -1.41 0.21 0.30 3.17 -7.23 -0.24 0.51 120.40 115.71 1wcq s VAL 286 Ca 0.31 -0.94 -0.12 0.00 -1.81 0.00 0.00 61.98 59.42 1wcq s VAL 286 Cb -0.13 -0.34 0.01 0.00 0.56 0.00 0.00 36.38 36.48 1wcq s VAL 286 CO 0.23 -0.47 0.56 0.00 -0.31 0.00 0.00 175.10 175.11 1wcq s ALA 287 N -1.43 -0.21 -0.06 1.32 0.00 -0.64 -1.18 121.76 119.56 1wcq s ALA 287 Ca -0.14 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.81 1wcq s ALA 287 Cb -0.10 1.00 0.02 0.00 0.00 0.00 0.00 23.12 24.03 1wcq s ALA 287 CO -0.01 -0.88 0.17 0.54 0.00 0.00 0.00 175.76 175.58 1wcq s VAL 288 N -3.49 0.01 -0.07 0.00 0.11 -1.26 -0.65 120.40 115.05 1wcq s VAL 288 Ca 0.22 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.19 1wcq s VAL 288 Cb -0.02 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 1wcq s VAL 288 CO 0.12 -0.05 -0.09 -0.55 -3.33 0.00 0.00 175.10 171.20 1wcq s SER 289 N -0.10 4.47 0.00 3.54 0.15 0.35 -1.21 113.70 120.90 1wcq s SER 289 Ca -0.02 -0.09 0.14 0.00 0.70 0.00 0.00 55.95 56.68 1wcq s SER 289 Cb -0.02 -1.17 0.33 0.00 -1.71 0.00 0.00 66.02 63.45 1wcq s SER 289 CO 0.00 0.33 1.25 0.35 1.20 0.00 0.00 173.24 176.37 1wcq n THR 290 N 2.43 0.79 -2.21 6.45 -2.24 -1.26 -0.93 114.28 117.31 1wcq n THR 290 Ca -0.18 -0.90 -0.16 0.00 -2.27 0.00 0.00 64.05 60.55 1wcq n THR 290 Cb 0.53 0.67 0.04 0.00 -2.10 0.00 0.00 70.33 69.46 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 0.80 3.82 -2.86 3.42 5.68 -1.26 -4.97 116.55 121.19 1wcq n ASP 291 Ca 0.13 -3.30 -0.21 0.00 -0.50 0.00 0.00 54.79 50.92 1wcq n ASP 291 Cb 0.45 -0.38 0.03 0.00 -1.14 0.00 0.00 41.12 40.08 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 -0.68 -0.47 1.25 6.12 0.00 -1.26 -3.07 105.19 107.09 1wcq n GLY 292 Ca 0.33 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.48 1.15 0.15 -0.02 0.00 -1.26 -4.93 105.19 98.80 1wcq n GLY 293 Ca -0.12 0.00 -0.12 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 0.51 -4.11 1.61 -0.00 -1.92 -3.40 115.15 107.83 1wcq h HIS 294 Ca 0.00 -0.13 -0.14 0.00 -0.00 0.00 0.00 60.37 60.11 1wcq h HIS 294 Cb 0.00 -0.12 -0.17 0.00 -0.00 0.00 0.00 27.41 27.12 1wcq h HIS 294 CO 0.00 0.72 -0.67 -1.54 -0.00 0.00 0.00 177.93 176.44 1wcq s SER 295 N -6.11 0.38 0.17 3.26 1.04 -1.26 -0.16 113.70 111.01 1wcq s SER 295 Ca -0.14 -0.79 0.09 0.00 0.48 0.00 0.00 55.95 55.60 1wcq s SER 295 Cb 0.07 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 1wcq s SER 295 CO 0.76 -0.49 -0.19 -0.31 0.98 0.00 0.00 173.24 174.00 1wcq s TYR 296 N -2.94 1.86 0.00 5.02 2.02 -1.26 -4.28 117.35 117.76 1wcq s TYR 296 Ca -0.02 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 1wcq s TYR 296 Cb 0.01 -0.93 0.00 0.00 -0.40 0.00 0.00 41.96 40.64 1wcq s TYR 296 CO -0.06 0.34 0.00 0.41 -1.57 0.00 0.00 175.55 174.67 1wcq n GLY 297 N 0.29 -1.37 3.81 0.71 0.00 -0.35 -4.95 105.19 103.33 1wcq n GLY 297 Ca -0.13 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 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 0.00 3.29 -0.16 1.61 0.02 -1.26 -4.72 135.00 133.78 1wcq s PRO 298 Ca 0.00 1.09 -0.17 0.00 0.02 0.00 0.00 61.00 61.94 1wcq s PRO 298 Cb 0.00 -2.03 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 1wcq s PRO 298 CO 0.00 -0.83 0.42 0.08 -0.33 0.00 0.00 177.00 176.35 1wcq s VAL 299 N -2.66 5.21 0.35 3.83 1.01 -1.26 -4.55 120.40 122.32 1wcq s VAL 299 Ca 0.61 0.81 0.09 0.00 0.00 0.00 0.00 61.98 63.49 1wcq s VAL 299 Cb -0.15 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 1wcq s VAL 299 CO 0.42 0.31 -0.08 0.42 0.00 0.00 0.00 175.10 176.17 1wcq s THR 300 N 0.86 2.14 -0.18 3.92 -4.23 -0.33 -4.93 115.64 112.89 1wcq s THR 300 Ca 0.22 -2.17 -0.16 0.00 -1.18 0.00 0.00 61.69 58.40 1wcq s THR 300 Cb -0.15 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.98 1wcq s THR 300 CO 0.08 -0.18 0.41 -0.63 -0.54 0.00 0.00 174.62 173.75 1wcq s ILE 301 N -2.67 5.21 -0.47 2.99 1.01 -1.26 -1.08 121.20 124.93 1wcq s ILE 301 Ca 0.33 0.74 -0.18 0.00 0.00 0.00 0.00 60.65 61.54 1wcq s ILE 301 Cb 0.04 -3.74 0.05 0.00 0.01 0.00 0.00 42.46 38.81 1wcq s ILE 301 CO 0.16 0.28 0.52 -0.62 0.00 0.00 0.00 174.94 175.28 1wcq s ASP 302 N 0.89 6.21 0.00 3.58 -1.08 0.59 -4.92 116.67 121.93 1wcq s ASP 302 Ca 0.20 -0.87 0.30 0.00 -0.52 0.00 0.00 52.55 51.66 1wcq s ASP 302 Cb -0.15 -2.25 1.42 0.00 -1.46 0.00 0.00 42.92 40.48 1wcq s ASP 302 CO 0.08 -0.74 2.00 0.54 0.52 0.00 0.00 175.17 177.58 1wcq n ARG 303 N 5.81 0.32 0.18 4.34 1.74 -1.26 -2.31 116.66 125.48 1wcq n ARG 303 Ca -0.07 -0.01 0.14 0.00 -0.77 0.00 0.00 57.85 57.13 1wcq n ARG 303 Cb 0.46 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 30.89 1wcq n ARG 303 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1wcq h ASP 304 N 0.03 0.00 -3.41 0.55 3.32 -1.96 -3.40 116.42 111.56 1wcq h ASP 304 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1wcq h ASP 304 Cb 0.35 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.49 1wcq h ASP 304 CO 0.00 0.00 -0.56 -0.76 -1.72 0.00 0.00 179.24 176.20 1wcq s LEU 305 N -5.16 4.77 0.50 1.55 1.43 -0.98 -5.05 118.68 115.75 1wcq s LEU 305 Ca 0.05 -3.66 -0.23 0.00 -1.03 0.00 0.00 54.13 49.26 1wcq s LEU 305 Cb 0.09 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.59 1wcq s LEU 305 CO 0.51 -0.12 1.38 -2.16 0.23 0.00 0.00 176.35 176.18 1wcq s PRO 306 N -1.19 3.40 -0.23 1.29 0.04 -1.26 -1.72 135.00 135.32 1wcq s PRO 306 Ca 0.23 2.29 -0.23 0.00 0.04 0.00 0.00 61.00 63.33 1wcq s PRO 306 Cb -0.09 -2.43 0.06 0.00 0.04 0.00 0.00 34.50 32.08 1wcq s PRO 306 CO -0.13 -1.00 0.65 0.34 0.04 0.00 0.00 177.00 176.90 1wcq s ASP 307 N -0.79 -0.67 -0.15 6.66 2.15 0.31 -4.07 116.67 120.10 1wcq s ASP 307 Ca 0.67 1.26 0.09 0.00 0.43 0.00 0.00 52.55 55.00 1wcq s ASP 307 Cb -0.41 1.27 0.54 0.00 -0.30 0.00 0.00 42.92 44.02 1wcq s ASP 307 CO 0.51 -0.25 1.33 -0.81 -0.17 0.00 0.00 175.17 175.78 1wcq n PRO 308 N 2.61 3.56 -1.88 4.34 -0.04 -0.71 -3.31 135.00 139.57 1wcq n PRO 308 Ca -0.14 -2.09 -0.01 0.00 -0.04 0.00 0.00 63.50 61.22 1wcq n PRO 308 Cb 0.56 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 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 0.43 -4.12 -3.46 0.52 -1.04 -1.26 -4.87 114.28 100.48 1wcq n THR 309 Ca 0.18 0.14 -0.11 0.00 -2.04 0.00 0.00 64.05 62.23 1wcq n THR 309 Cb 0.87 -4.74 -0.02 0.00 -1.82 0.00 0.00 70.33 64.62 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 -1.69 -0.51 0.85 8.00 2.47 -1.26 -5.02 114.94 117.78 1wcq s ASN 310 Ca 0.05 0.06 -0.12 0.00 0.42 0.00 0.00 52.86 53.27 1wcq s ASN 310 Cb -0.01 0.52 0.10 0.00 -1.45 0.00 0.00 41.25 40.41 1wcq s ASN 310 CO 0.20 -0.82 1.13 0.21 -3.72 0.00 0.00 177.10 174.10 1wcq s ASN 311 N -2.51 4.05 0.23 -4.21 3.84 -1.26 -4.62 114.94 110.46 1wcq s ASN 311 Ca 0.01 1.06 -0.22 0.00 0.21 0.00 0.00 52.86 53.92 1wcq s ASN 311 Cb -0.01 -1.69 0.05 0.00 -0.55 0.00 0.00 41.25 39.05 1wcq s ASN 311 CO -0.10 -2.22 0.86 0.00 -2.79 0.00 0.00 177.10 172.85 1wcq s ALA 312 N -3.28 -1.38 0.07 1.71 0.00 -1.26 -4.56 121.76 113.06 1wcq s ALA 312 Ca 0.62 -0.18 -0.00 0.00 0.00 0.00 0.00 51.96 52.40 1wcq s ALA 312 Cb -0.14 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 1wcq s ALA 312 CO 0.53 -1.04 -0.03 -1.54 0.00 0.00 0.00 175.76 173.68 1wcq s SER 313 N -2.99 0.66 -0.11 0.00 1.04 -0.81 -4.87 113.70 106.62 1wcq s SER 313 Ca 0.13 -1.03 -0.05 0.00 0.48 0.00 0.00 55.95 55.49 1wcq s SER 313 Cb -0.04 0.18 0.05 0.00 0.10 0.00 0.00 66.02 66.32 1wcq s SER 313 CO 0.05 -0.58 0.24 -0.51 0.98 0.00 0.00 173.24 173.43 1wcq s ILE 314 N -3.85 -0.24 0.03 -1.02 2.07 -1.26 -1.67 121.20 115.25 1wcq s ILE 314 Ca 0.10 0.24 -0.00 0.00 -1.41 0.00 0.00 60.65 59.58 1wcq s ILE 314 Cb 0.07 -0.39 -0.02 0.00 0.13 0.00 0.00 42.46 42.24 1wcq s ILE 314 CO -0.07 0.10 -0.03 0.27 -1.91 0.00 0.00 174.94 173.29 1wcq s ILE 315 N 1.92 0.15 0.11 2.00 -4.36 -0.45 -4.70 121.20 115.87 1wcq s ILE 315 Ca -0.03 -1.09 -0.31 0.00 -0.26 0.00 0.00 60.65 58.96 1wcq s ILE 315 Cb -0.11 -0.52 -0.09 0.00 1.25 0.00 0.00 42.46 42.98 1wcq s ILE 315 CO -0.08 -0.59 1.64 -0.13 0.24 0.00 0.00 174.94 176.01 1wcq s ARG 316 N -1.95 4.20 0.32 0.37 1.81 -1.26 -1.05 118.95 121.39 1wcq s ARG 316 Ca -0.11 2.37 0.13 0.00 -1.72 0.00 0.00 55.73 56.39 1wcq s ARG 316 Cb -0.06 -3.43 0.52 0.00 -0.45 0.00 0.00 34.95 31.52 1wcq s ARG 316 CO -0.03 -0.70 1.69 0.00 -0.68 0.00 0.00 175.30 175.59 1wcq h ALA 317 N 7.78 1.08 -2.82 2.13 0.00 -1.65 -3.36 119.26 122.41 1wcq h ALA 317 Ca -0.43 -0.46 -0.61 0.00 0.00 0.00 0.00 54.91 53.41 1wcq h ALA 317 Cb 1.20 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.51 1wcq h ALA 317 CO 0.93 0.64 -0.75 -0.06 0.00 0.00 0.00 179.25 180.00 1wcq s PHE 318 N -3.76 2.31 -0.63 0.00 0.08 -1.26 -4.98 117.98 109.74 1wcq s PHE 318 Ca -0.01 -2.75 0.24 0.00 0.12 0.00 0.00 56.93 54.53 1wcq s PHE 318 Cb 0.13 -1.89 0.91 0.00 -0.57 0.00 0.00 43.02 41.60 1wcq s PHE 318 CO 0.74 -0.71 1.73 -0.35 -0.10 0.00 0.00 175.22 176.53 1wcq n PRO 319 N 2.71 0.20 0.00 0.24 -0.04 -1.26 -1.90 135.00 134.96 1wcq n PRO 319 Ca 0.20 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 64.10 1wcq n PRO 319 Cb 0.39 -1.81 0.27 0.00 -0.04 0.00 0.00 33.50 32.31 1wcq n PRO 319 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wcq n ASP 320 N -2.17 1.58 -4.76 3.54 8.00 -1.26 -4.98 116.55 116.50 1wcq n ASP 320 Ca 0.04 -1.28 -0.39 0.00 0.71 0.00 0.00 54.79 53.87 1wcq n ASP 320 Cb 0.31 0.20 0.01 0.00 -0.02 0.00 0.00 41.12 41.62 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 -2.36 3.13 0.65 2.24 0.00 -0.80 -4.95 121.76 119.68 1wcq s ALA 321 Ca 0.25 1.32 -0.15 0.00 0.00 0.00 0.00 51.96 53.38 1wcq s ALA 321 Cb 0.19 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 1wcq s ALA 321 CO 0.48 -1.07 1.11 -1.25 0.00 0.00 0.00 175.76 175.04 1wcq s PRO 322 N -2.50 2.83 0.35 0.00 0.04 -1.26 -4.79 135.00 129.67 1wcq s PRO 322 Ca 0.62 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.80 1wcq s PRO 322 Cb -0.40 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.07 1wcq s PRO 322 CO 0.50 -1.23 1.19 0.00 0.04 0.00 0.00 177.00 177.50 1wcq n ALA 323 N -2.34 0.80 -0.78 8.56 0.00 -1.26 -1.89 120.51 123.60 1wcq n ALA 323 Ca 0.10 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1wcq n ALA 323 Cb 0.52 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 0.93 0.67 3.88 0.00 0.00 0.14 -5.01 105.19 105.79 1wcq n GLY 324 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.65 4.82 0.17 1.61 1.04 -0.79 -4.98 113.70 112.92 1wcq s SER 325 Ca 0.00 0.96 -0.10 0.00 0.48 0.00 0.00 55.95 57.29 1wcq s SER 325 Cb 0.00 -1.59 0.05 0.00 0.10 0.00 0.00 66.02 64.58 1wcq s SER 325 CO 0.00 -1.73 1.63 0.00 0.98 0.00 0.00 173.24 174.12 1wcq h ALA 326 N -0.93 0.77 -0.05 5.32 0.00 -1.95 -2.97 119.26 119.46 1wcq h ALA 326 Ca -0.46 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.10 1wcq h ALA 326 Cb 1.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1wcq h ALA 326 CO 0.65 0.60 -0.20 0.00 0.00 0.00 0.00 179.25 180.30 1wcq h ARG 327 N 0.90 0.08 0.00 0.00 3.08 -1.94 -2.66 114.38 113.85 1wcq h ARG 327 Ca 0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1wcq h ARG 327 Cb 0.54 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1wcq h ARG 327 CO 0.03 0.29 0.00 0.00 -1.07 0.00 0.00 179.97 179.22 1wcq h ALA 328 N 1.72 1.00 -0.01 0.04 0.00 -1.76 -2.74 119.26 117.51 1wcq h ALA 328 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1wcq h ALA 328 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wcq h ALA 328 CO 0.03 0.00 -0.28 1.63 0.00 0.00 0.00 179.25 180.62 1wcq n LYS 329 N -2.33 1.02 -2.95 0.00 5.02 -1.00 -3.70 118.16 114.21 1wcq n LYS 329 Ca 0.01 -0.68 -0.42 0.00 -2.02 0.00 0.00 58.31 55.20 1wcq n LYS 329 Cb 0.16 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 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 -2.45 4.80 0.10 -0.18 1.01 -1.03 -1.21 120.40 121.44 1wcq s VAL 330 Ca 0.24 1.19 0.08 0.00 0.00 0.00 0.00 61.98 63.50 1wcq s VAL 330 Cb 0.19 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1wcq s VAL 330 CO 0.51 -0.23 -0.17 -0.76 0.00 0.00 0.00 175.10 174.45 1wcq s LEU 331 N 2.93 2.71 0.01 3.92 1.43 0.13 -1.73 118.68 128.09 1wcq s LEU 331 Ca 0.32 -0.52 0.05 0.00 -1.03 0.00 0.00 54.13 52.95 1wcq s LEU 331 Cb -0.14 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1wcq s LEU 331 CO 0.12 0.19 -0.14 -0.76 0.23 0.00 0.00 176.35 175.99 1wcq s LEU 332 N -2.01 2.80 0.00 1.79 1.43 -0.21 -1.70 118.68 120.78 1wcq s LEU 332 Ca 0.18 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1wcq s LEU 332 Cb -0.11 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 1wcq s LEU 332 CO 0.09 0.28 -0.08 0.12 0.23 0.00 0.00 176.35 177.00 1wcq s PHE 333 N -0.90 0.70 -0.02 0.29 5.36 -0.42 -1.34 117.98 121.65 1wcq s PHE 333 Ca 0.15 -0.17 0.03 0.00 -0.96 0.00 0.00 56.93 55.98 1wcq s PHE 333 Cb -0.11 -0.44 -0.00 0.00 -0.34 0.00 0.00 43.02 42.13 1wcq s PHE 333 CO 0.05 -0.01 -0.11 -1.54 -1.46 0.00 0.00 175.22 172.15 1wcq s SER 334 N -0.34 1.33 0.12 6.13 1.04 -0.67 -0.21 113.70 121.10 1wcq s SER 334 Ca 0.02 -0.21 -0.25 0.00 0.48 0.00 0.00 55.95 55.99 1wcq s SER 334 Cb -0.04 -0.22 0.08 0.00 0.10 0.00 0.00 66.02 65.94 1wcq s SER 334 CO -0.00 0.12 1.09 0.54 0.98 0.00 0.00 173.24 175.97 1wcq s ASN 335 N -0.11 -0.04 -0.45 7.02 4.22 -0.99 -1.92 114.94 122.66 1wcq s ASN 335 Ca 0.02 -0.48 -0.27 0.00 -2.14 0.00 0.00 52.86 49.99 1wcq s ASN 335 Cb -0.06 0.40 0.03 0.00 1.28 0.00 0.00 41.25 42.90 1wcq s ASN 335 CO -0.00 -0.78 1.02 0.00 -2.04 0.00 0.00 177.10 175.30 1wcq s ALA 336 N -2.42 3.24 -1.22 3.54 0.00 -1.26 -1.06 121.76 122.59 1wcq s ALA 336 Ca 0.20 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 1wcq s ALA 336 Cb -0.01 -3.73 0.19 0.00 0.00 0.00 0.00 23.12 19.57 1wcq s ALA 336 CO 0.03 -2.05 1.55 0.00 0.00 0.00 0.00 175.76 175.29 1wcq n ALA 337 N 7.37 4.48 -3.65 0.00 0.00 -0.92 -4.13 120.51 123.67 1wcq n ALA 337 Ca 0.09 -4.35 -0.00 0.00 0.00 0.00 0.00 53.44 49.17 1wcq n ALA 337 Cb 0.49 -2.92 -0.06 0.00 0.00 0.00 0.00 19.45 16.95 1wcq n ALA 337 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wcq s SER 338 N 1.71 -0.15 0.34 0.00 0.15 -1.26 -4.90 113.70 109.59 1wcq s SER 338 Ca 0.40 0.25 0.23 0.00 0.70 0.00 0.00 55.95 57.53 1wcq s SER 338 Cb 0.01 0.83 0.22 0.00 -1.71 0.00 0.00 66.02 65.36 1wcq s SER 338 CO 0.00 -0.04 1.39 1.56 1.20 0.00 0.00 173.24 177.35 1wcq h GLN 339 N 4.75 0.00 0.00 5.44 4.20 -1.83 -1.90 115.11 125.77 1wcq h GLN 339 Ca -0.27 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.25 1wcq h GLN 339 Cb 1.17 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.92 1wcq h GLN 339 CO 0.21 0.00 -1.67 0.25 -0.67 0.00 0.00 178.83 176.95 1wcq n THR 340 N -2.90 0.67 -4.34 -0.54 -2.24 -1.26 -4.31 114.28 99.35 1wcq n THR 340 Ca 0.02 -0.22 -0.30 0.00 -2.27 0.00 0.00 64.05 61.29 1wcq n THR 340 Cb 0.53 -1.20 -0.11 0.00 -2.10 0.00 0.00 70.33 67.45 1wcq n THR 340 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wcq s SER 341 N -5.50 3.94 -1.33 3.42 0.15 -1.26 -4.94 113.70 108.19 1wcq s SER 341 Ca -0.16 -0.52 -0.17 0.00 0.70 0.00 0.00 55.95 55.80 1wcq s SER 341 Cb 0.05 -0.59 0.03 0.00 -1.71 0.00 0.00 66.02 63.80 1wcq s SER 341 CO 0.25 0.19 1.98 0.54 1.20 0.00 0.00 173.24 177.40 1wcq n ARG 342 N 0.90 2.83 -3.98 5.44 1.74 -1.26 -4.65 116.66 117.67 1wcq n ARG 342 Ca -0.15 -2.83 -0.13 0.00 -0.77 0.00 0.00 57.85 53.97 1wcq n ARG 342 Cb 0.53 -3.38 -0.01 0.00 -1.02 0.00 0.00 32.46 28.57 1wcq n ARG 342 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wcq s SER 343 N 3.96 0.68 -1.08 0.55 1.04 -1.24 -1.76 113.70 115.85 1wcq s SER 343 Ca 0.52 -1.42 -0.01 0.00 0.48 0.00 0.00 55.95 55.52 1wcq s SER 343 Cb 0.09 0.75 -0.01 0.00 0.10 0.00 0.00 66.02 66.95 1wcq s SER 343 CO 0.01 -1.48 0.90 1.67 0.98 0.00 0.00 173.24 175.32 1wcq n GLN 344 N -0.58 -5.53 -1.73 4.02 -0.06 -0.95 -3.49 117.38 109.07 1wcq n GLN 344 Ca -0.03 0.78 -0.42 0.00 -2.00 0.00 0.00 57.00 55.33 1wcq n GLN 344 Cb 0.61 -5.57 -0.03 0.00 -4.06 0.00 0.00 30.24 21.19 1wcq n GLN 344 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1wcq n GLY 345 N -1.14 1.52 2.99 1.69 0.00 0.12 -2.17 105.19 108.22 1wcq n GLY 345 Ca -0.24 0.59 -0.17 0.00 0.00 0.00 0.00 46.02 46.20 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 0.97 0.56 -0.16 2.61 2.01 -0.22 -0.02 115.64 121.39 1wcq s THR 346 Ca 0.73 -0.35 -0.07 0.00 0.31 0.00 0.00 61.69 62.31 1wcq s THR 346 Cb -0.50 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1wcq s THR 346 CO 0.35 0.12 0.08 -0.63 -0.69 0.00 0.00 174.62 173.85 1wcq s ILE 347 N -0.24 4.98 0.13 1.82 -1.09 -0.06 -2.35 121.20 124.39 1wcq s ILE 347 Ca 0.02 0.03 0.09 0.00 -2.23 0.00 0.00 60.65 58.55 1wcq s ILE 347 Cb -0.03 -3.21 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 1wcq s ILE 347 CO -0.00 0.51 -0.17 -0.13 -1.23 0.00 0.00 174.94 173.92 1wcq s ARG 348 N -0.13 1.81 -0.02 2.79 0.52 0.71 -1.20 118.95 123.43 1wcq s ARG 348 Ca 0.08 -1.20 0.05 0.00 -0.52 0.00 0.00 55.73 54.14 1wcq s ARG 348 Cb -0.12 -2.11 -0.01 0.00 0.52 0.00 0.00 34.95 33.23 1wcq s ARG 348 CO 0.01 0.47 -0.18 1.41 0.02 0.00 0.00 175.30 177.03 1wcq s MET 349 N -2.24 1.63 -0.04 3.54 -2.45 -0.16 -1.30 119.30 118.28 1wcq s MET 349 Ca 0.19 -0.66 0.06 0.00 -1.25 0.00 0.00 55.69 54.03 1wcq s MET 349 Cb -0.10 -1.52 -0.02 0.00 1.25 0.00 0.00 34.83 34.44 1wcq s MET 349 CO 0.11 0.36 -0.23 0.45 1.05 0.00 0.00 175.02 176.76 1wcq s SER 350 N -0.29 3.32 -0.10 1.11 0.15 -0.69 -3.00 113.70 114.21 1wcq s SER 350 Ca 0.04 -0.41 0.14 0.00 0.70 0.00 0.00 55.95 56.42 1wcq s SER 350 Cb -0.09 -0.61 0.44 0.00 -1.71 0.00 0.00 66.02 64.05 1wcq s SER 350 CO 0.00 0.30 1.36 0.00 1.20 0.00 0.00 173.24 176.10 1wcq n ASP 352 N -0.02 1.46 -2.23 0.00 5.68 -1.07 -4.58 116.55 115.79 1wcq n ASP 352 Ca 0.17 -2.25 -0.19 0.00 -0.50 0.00 0.00 54.79 52.02 1wcq n ASP 352 Cb 0.69 -0.47 -0.00 0.00 -1.14 0.00 0.00 41.12 40.20 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 -0.44 -5.50 0.00 -1.12 8.00 -0.35 -2.56 116.55 114.57 1wcq n ASP 353 Ca 0.07 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1wcq n ASP 353 Cb 0.81 -4.53 0.00 0.00 -0.02 0.00 0.00 41.12 37.38 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 -1.07 0.70 0.26 0.44 0.00 -1.26 -4.95 105.19 99.31 1wcq n GLY 354 Ca -0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 2.29 0.89 -4.82 1.61 4.20 -1.90 -3.45 115.11 113.93 1wcq h GLN 355 Ca 0.00 -0.44 -0.26 0.00 0.06 0.00 0.00 58.65 58.00 1wcq h GLN 355 Cb 0.00 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.64 1wcq h GLN 355 CO 0.00 1.09 -0.70 0.95 -0.67 0.00 0.00 178.83 179.50 1wcq s THR 356 N -4.44 0.89 -0.44 -0.54 -4.23 -1.26 -5.10 115.64 100.52 1wcq s THR 356 Ca -0.10 -1.98 0.06 0.00 -1.18 0.00 0.00 61.69 58.48 1wcq s THR 356 Cb 0.12 -1.75 0.21 0.00 1.34 0.00 0.00 72.50 72.42 1wcq s THR 356 CO 0.87 -0.82 0.47 0.79 -0.54 0.00 0.00 174.62 175.39 1wcq n TRP 357 N -0.10 -0.01 0.20 3.99 7.02 -1.26 -4.32 117.44 122.95 1wcq n TRP 357 Ca -0.11 -3.56 0.05 0.00 -1.02 0.00 0.00 57.50 52.86 1wcq n TRP 357 Cb 0.61 -0.15 0.40 0.00 -2.42 0.00 0.00 31.31 29.74 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 4.71 0.00 -5.93 -0.99 0.13 -1.84 -3.45 132.00 124.63 1wcq h PRO 358 Ca 0.16 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.62 1wcq h PRO 358 Cb 0.86 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.77 1wcq h PRO 358 CO 0.47 0.35 -0.72 0.08 -0.23 0.00 0.00 178.00 177.95 1wcq s VAL 359 N -3.88 3.43 0.01 1.56 1.01 -1.16 -0.69 120.40 120.68 1wcq s VAL 359 Ca -0.01 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 1wcq s VAL 359 Cb 0.12 -2.41 0.03 0.00 0.00 0.00 0.00 36.38 34.13 1wcq s VAL 359 CO 0.69 0.57 0.40 -0.94 0.00 0.00 0.00 175.10 175.82 1wcq s SER 360 N -0.42 -0.29 -0.17 3.32 1.04 -1.26 -0.99 113.70 114.93 1wcq s SER 360 Ca 0.06 0.12 -0.16 0.00 0.48 0.00 0.00 55.95 56.44 1wcq s SER 360 Cb -0.12 0.39 0.04 0.00 0.10 0.00 0.00 66.02 66.44 1wcq s SER 360 CO 0.02 -0.58 0.46 -0.75 0.98 0.00 0.00 173.24 173.37 1wcq s LYS 361 N -1.89 0.53 0.02 4.02 2.20 -0.34 -4.98 119.74 119.31 1wcq s LYS 361 Ca -0.09 0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 55.86 1wcq s LYS 361 Cb -0.02 0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.51 1wcq s LYS 361 CO 0.02 -0.07 1.06 0.08 -0.36 0.00 0.00 175.35 176.08 1wcq s VAL 362 N 0.27 4.56 -0.16 4.02 1.01 -1.26 -0.88 120.40 127.96 1wcq s VAL 362 Ca -0.00 1.84 0.19 0.00 0.00 0.00 0.00 61.98 64.00 1wcq s VAL 362 Cb -0.03 -4.18 -0.27 0.00 0.00 0.00 0.00 36.38 31.90 1wcq s VAL 362 CO 0.00 0.14 0.16 2.22 0.00 0.00 0.00 175.10 177.63 1wcq n PHE 363 N 3.89 0.00 -3.46 5.22 1.16 0.97 -4.89 117.46 120.36 1wcq n PHE 363 Ca 0.07 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.41 1wcq n PHE 363 Cb 0.49 -0.87 -0.12 0.00 -1.61 0.00 0.00 39.48 37.38 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 -2.71 0.36 0.44 3.97 2.00 -0.97 -4.99 119.66 117.76 1wcq s GLN 364 Ca -0.09 -0.62 0.12 0.00 -2.00 0.00 0.00 55.36 52.76 1wcq s GLN 364 Cb 0.08 -0.99 1.01 0.00 0.80 0.00 0.00 33.01 33.91 1wcq s GLN 364 CO 0.83 -1.08 2.05 -1.00 -0.50 0.00 0.00 175.29 175.58 1wcq h PRO 365 N 7.91 0.37 0.00 1.67 0.13 -1.90 0.36 132.00 140.55 1wcq h PRO 365 Ca -0.10 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1wcq h PRO 365 Cb 1.03 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1wcq h PRO 365 CO 0.34 0.25 0.00 0.41 -0.23 0.00 0.00 178.00 178.77 1wcq n GLY 366 N -1.51 1.49 3.73 1.56 0.00 -1.26 -2.39 105.19 106.81 1wcq n GLY 366 Ca 0.05 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 3.30 -3.15 1.61 2.88 -1.26 -2.25 113.62 114.75 1wcq n SER 367 Ca 0.00 1.19 0.05 0.00 -1.33 0.00 0.00 58.87 58.78 1wcq n SER 367 Cb 0.00 -1.54 -0.01 0.00 -0.75 0.00 0.00 64.21 61.91 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 -1.43 0.29 0.00 -1.46 0.00 -0.72 -4.44 119.30 111.53 1wcq s MET 368 Ca 0.58 0.42 0.00 0.00 0.00 0.00 0.00 55.69 56.69 1wcq s MET 368 Cb -0.54 0.22 0.00 0.00 0.00 0.00 0.00 34.83 34.51 1wcq s MET 368 CO 0.58 -0.40 0.00 0.43 0.00 0.00 0.00 175.02 175.63 1wcq n SER 369 N 5.37 0.00 -4.84 1.11 7.64 -0.42 -3.68 113.62 118.80 1wcq n SER 369 Ca -0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.55 1wcq n SER 369 Cb 0.54 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.69 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 1.41 3.38 -0.08 1.43 0.40 -1.26 -4.60 117.98 118.66 1wcq s PHE 370 Ca 0.00 1.44 -0.18 0.00 -0.60 0.00 0.00 56.93 57.59 1wcq s PHE 370 Cb 0.00 -2.74 0.04 0.00 0.51 0.00 0.00 43.02 40.83 1wcq s PHE 370 CO 0.00 -0.15 0.42 -1.54 0.70 0.00 0.00 175.22 174.65 1wcq s SER 371 N -2.57 -0.37 -0.05 1.36 1.04 -1.26 -1.10 113.70 110.76 1wcq s SER 371 Ca 0.59 0.49 -0.03 0.00 0.48 0.00 0.00 55.95 57.48 1wcq s SER 371 Cb -0.10 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.62 1wcq s SER 371 CO 0.21 -0.37 0.11 0.28 0.98 0.00 0.00 173.24 174.45 1wcq s THR 372 N -0.74 -0.03 0.16 2.02 -1.32 0.46 -3.83 115.64 112.36 1wcq s THR 372 Ca -0.08 0.11 -0.03 0.00 -1.21 0.00 0.00 61.69 60.49 1wcq s THR 372 Cb -0.04 -0.17 -0.05 0.00 -1.51 0.00 0.00 72.50 70.73 1wcq s THR 372 CO 0.04 0.05 0.37 -0.76 -2.21 0.00 0.00 174.62 172.10 1wcq s LEU 373 N 0.71 4.26 -0.05 9.08 1.43 -1.26 -1.04 118.68 131.80 1wcq s LEU 373 Ca -0.05 0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 53.45 1wcq s LEU 373 Cb -0.07 -3.22 0.02 0.00 0.03 0.00 0.00 46.19 42.94 1wcq s LEU 373 CO -0.03 0.02 0.20 0.28 0.23 0.00 0.00 176.35 177.05 1wcq s THR 374 N -1.73 0.03 -0.02 5.49 -1.32 0.16 -4.93 115.64 113.32 1wcq s THR 374 Ca 0.39 -0.25 -0.30 0.00 -1.21 0.00 0.00 61.69 60.32 1wcq s THR 374 Cb -0.12 -0.37 -0.04 0.00 -1.51 0.00 0.00 72.50 70.46 1wcq s THR 374 CO 0.27 -0.14 1.14 0.00 -2.21 0.00 0.00 174.62 173.68 1wcq s ALA 375 N -0.47 3.40 0.16 11.08 0.00 -1.26 -0.72 121.76 133.95 1wcq s ALA 375 Ca -0.06 0.65 -0.04 0.00 0.00 0.00 0.00 51.96 52.51 1wcq s ALA 375 Cb -0.04 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 1wcq s ALA 375 CO 0.01 -0.56 0.38 -0.51 0.00 0.00 0.00 175.76 175.09 1wcq s LEU 376 N 1.65 4.25 0.35 0.00 1.43 -0.22 -4.87 118.68 121.27 1wcq s LEU 376 Ca 0.55 0.55 0.14 0.00 -1.03 0.00 0.00 54.13 54.34 1wcq s LEU 376 Cb -0.25 -3.29 1.03 0.00 0.03 0.00 0.00 46.19 43.71 1wcq s LEU 376 CO 0.25 0.02 1.71 -0.65 0.23 0.00 0.00 176.35 177.91 1wcq h PRO 377 N 2.61 0.42 0.00 1.29 0.11 -1.94 -1.86 132.00 132.63 1wcq h PRO 377 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1wcq h PRO 377 Cb 1.17 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1wcq h PRO 377 CO 0.72 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.38 1wcq n ASP 378 N -4.89 0.00 0.00 -2.05 5.75 -1.26 -4.84 116.55 109.26 1wcq n ASP 378 Ca 0.29 -0.87 0.00 0.00 -0.01 0.00 0.00 54.79 54.20 1wcq n ASP 378 Cb 0.89 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.98 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 0.41 1.22 3.19 6.12 0.00 -0.70 -5.06 105.19 110.37 1wcq n GLY 379 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 0.00 -4.69 2.61 -2.24 -1.26 -4.82 114.28 101.88 1wcq n THR 380 Ca 0.00 -1.19 -0.25 0.00 -2.27 0.00 0.00 64.05 60.34 1wcq n THR 380 Cb 0.00 -1.11 -0.16 0.00 -2.10 0.00 0.00 70.33 66.96 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 -2.68 1.54 0.03 4.78 2.02 -0.14 -1.06 117.35 121.84 1wcq s TYR 381 Ca 0.56 -0.50 -0.08 0.00 -0.37 0.00 0.00 57.07 56.68 1wcq s TYR 381 Cb -0.03 -1.08 -0.05 0.00 -0.40 0.00 0.00 41.96 40.40 1wcq s TYR 381 CO 0.38 -0.21 0.32 0.20 -1.57 0.00 0.00 175.55 174.67 1wcq s GLY 382 N 0.33 2.30 -0.18 0.71 0.00 0.11 -1.57 107.32 109.02 1wcq s GLY 382 Ca -0.09 -0.48 -0.04 0.00 0.00 0.00 0.00 44.72 44.11 1wcq s GLY 382 CO 0.03 -0.27 0.22 -2.27 0.00 0.00 0.00 173.10 170.81 1wcq s LEU 383 N -1.76 -0.12 -0.17 0.66 2.96 0.33 -0.66 118.68 119.92 1wcq s LEU 383 Ca 0.29 -0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 54.09 1wcq s LEU 383 Cb -0.14 0.40 -0.02 0.00 0.50 0.00 0.00 46.19 46.93 1wcq s LEU 383 CO 0.16 -0.31 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.62 1wcq s LEU 384 N 2.33 3.09 0.24 -0.68 2.96 -0.21 0.05 118.68 126.47 1wcq s LEU 384 Ca 0.06 -0.23 -0.11 0.00 -0.22 0.00 0.00 54.13 53.63 1wcq s LEU 384 Cb -0.15 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 1wcq s LEU 384 CO -0.11 0.11 0.43 -0.72 -1.32 0.00 0.00 176.35 174.74 1wcq s TYR 385 N 0.69 0.49 -0.42 5.38 -0.85 -0.30 -0.40 117.35 121.95 1wcq s TYR 385 Ca -0.02 -0.83 -0.10 0.00 -0.52 0.00 0.00 57.07 55.59 1wcq s TYR 385 Cb -0.15 0.08 0.07 0.00 0.38 0.00 0.00 41.96 42.35 1wcq s TYR 385 CO 0.02 -0.95 0.27 -1.21 -1.52 0.00 0.00 175.55 172.16 1wcq s GLU 386 N -4.01 2.67 0.00 -3.49 2.02 -0.26 -1.42 118.70 114.22 1wcq s GLU 386 Ca 0.25 -1.41 0.30 0.00 0.02 0.00 0.00 54.97 54.13 1wcq s GLU 386 Cb 0.00 -3.81 1.44 0.00 0.10 0.00 0.00 34.13 31.86 1wcq s GLU 386 CO 0.10 -0.93 1.99 -0.35 0.02 0.00 0.00 175.26 176.08 1wcq n PRO 387 N 4.96 0.69 0.00 0.39 -0.04 -1.26 -1.30 135.00 138.44 1wcq n PRO 387 Ca -0.10 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1wcq n PRO 387 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 1.23 2.36 0.97 0.55 0.00 -1.26 -4.58 105.19 104.46 1wcq n GLY 388 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.48 0.26 0.00 2.61 -2.24 -1.26 -4.99 114.28 108.18 1wcq n THR 389 Ca 0.00 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1wcq n THR 389 Cb 0.00 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 1.30 0.53 2.99 3.38 0.00 -1.26 -0.19 105.19 111.93 1wcq n GLY 390 Ca 0.15 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 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 1.09 -0.01 -0.61 -1.09 -0.43 -4.06 121.20 116.09 1wcq s ILE 391 Ca 0.00 -0.42 0.06 0.00 -2.23 0.00 0.00 60.65 58.06 1wcq s ILE 391 Cb 0.00 -1.03 -0.02 0.00 -1.58 0.00 0.00 42.46 39.83 1wcq s ILE 391 CO 0.00 0.35 -0.20 -0.60 -1.23 0.00 0.00 174.94 173.27 1wcq s ARG 392 N 0.96 1.56 -0.16 2.79 3.52 -0.51 0.14 118.95 127.25 1wcq s ARG 392 Ca -0.09 -0.72 -0.02 0.00 -0.13 0.00 0.00 55.73 54.77 1wcq s ARG 392 Cb -0.15 -1.52 -0.02 0.00 -1.56 0.00 0.00 34.95 31.70 1wcq s ARG 392 CO 0.00 0.41 -0.08 -0.47 -0.81 0.00 0.00 175.30 174.36 1wcq s TYR 393 N -0.49 2.92 0.16 5.12 5.04 0.32 -1.15 117.35 129.27 1wcq s TYR 393 Ca 0.07 -0.61 0.09 0.00 -2.44 0.00 0.00 57.07 54.19 1wcq s TYR 393 Cb -0.08 -1.95 -0.04 0.00 0.35 0.00 0.00 41.96 40.24 1wcq s TYR 393 CO -0.00 -0.24 -0.13 0.00 -1.34 0.00 0.00 175.55 173.83 1wcq s ALA 394 N 0.66 2.84 -0.06 3.97 0.00 0.11 -0.96 121.76 128.32 1wcq s ALA 394 Ca -0.04 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 50.50 1wcq s ALA 394 Cb -0.15 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.30 1wcq s ALA 394 CO 0.02 0.50 -0.11 1.21 0.00 0.00 0.00 175.76 177.38 1wcq s ASN 395 N -2.61 1.64 0.08 0.00 2.47 0.20 -0.52 114.94 116.21 1wcq s ASN 395 Ca 0.23 -0.27 -0.00 0.00 0.42 0.00 0.00 52.86 53.24 1wcq s ASN 395 Cb -0.09 -0.70 -0.04 0.00 -1.45 0.00 0.00 41.25 38.97 1wcq s ASN 395 CO 0.13 0.04 -0.02 0.72 -3.72 0.00 0.00 177.10 174.25 1wcq s PHE 396 N 0.58 0.72 0.38 0.43 -0.12 -0.61 -1.58 117.98 117.78 1wcq s PHE 396 Ca -0.12 -1.05 0.08 0.00 -0.05 0.00 0.00 56.93 55.79 1wcq s PHE 396 Cb -0.14 -0.46 -0.06 0.00 -0.63 0.00 0.00 43.02 41.73 1wcq s PHE 396 CO 0.03 -0.33 0.06 0.54 -0.05 0.00 0.00 175.22 175.47 1wcq s ASN 397 N -2.99 4.17 0.42 1.98 2.20 -0.99 -0.97 114.94 118.76 1wcq s ASN 397 Ca 0.12 -1.11 0.14 0.00 -0.94 0.00 0.00 52.86 51.07 1wcq s ASN 397 Cb 0.07 -0.48 0.91 0.00 -2.00 0.00 0.00 41.25 39.75 1wcq s ASN 397 CO -0.06 -0.38 1.93 -0.07 -2.94 0.00 0.00 177.10 175.59 1wcq h LEU 398 N 1.69 0.00 -0.68 3.54 3.38 -1.92 -2.51 115.31 118.82 1wcq h LEU 398 Ca -0.43 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.61 1wcq h LEU 398 Cb 1.25 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 1wcq h LEU 398 CO 0.71 0.25 0.36 0.00 0.09 0.00 0.00 178.44 179.84 1wcq h ALA 399 N 1.75 0.92 -0.68 1.53 0.00 -1.89 -2.18 119.26 118.71 1wcq h ALA 399 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wcq h ALA 399 Cb 0.44 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1wcq h ALA 399 CO 0.03 -0.00 0.42 2.35 0.00 0.00 0.00 179.25 182.05 1wcq h TRP 400 N 0.63 0.87 -0.50 0.00 7.01 -1.70 -2.74 115.95 119.52 1wcq h TRP 400 Ca 0.32 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.30 1wcq h TRP 400 Cb 0.27 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 1wcq h TRP 400 CO -0.09 0.57 0.18 1.25 -2.79 0.00 0.00 178.44 177.56 1wcq h LEU 401 N 0.92 0.67 0.49 0.65 5.85 -1.32 -3.47 115.31 119.11 1wcq h LEU 401 Ca 0.25 -0.08 -0.20 0.00 0.84 0.00 0.00 57.88 58.68 1wcq h LEU 401 Cb -0.07 -0.17 0.02 0.00 0.37 0.00 0.00 40.66 40.82 1wcq h LEU 401 CO -0.05 0.62 -0.29 0.61 -0.34 0.00 0.00 178.44 178.98 1wcq n GLY 402 N -1.06 0.05 3.64 3.75 0.00 -1.00 -4.71 105.19 105.87 1wcq n GLY 402 Ca 0.04 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.79 2.10 -0.05 -0.02 0.00 -1.26 -1.32 107.32 103.99 1wcq s GLY 403 Ca 0.12 -1.98 0.05 0.00 0.00 0.00 0.00 44.72 42.91 1wcq s GLY 403 CO 0.15 -1.91 -0.21 -1.50 0.00 0.00 0.00 173.10 169.63 1wcq s ILE 404 N -2.53 1.72 -0.50 0.90 2.07 -0.78 -4.45 121.20 117.62 1wcq s ILE 404 Ca 0.35 -0.88 -0.23 0.00 -1.41 0.00 0.00 60.65 58.49 1wcq s ILE 404 Cb 0.01 -1.46 -0.21 0.00 0.13 0.00 0.00 42.46 40.92 1wcq s ILE 404 CO 0.20 0.49 1.79 0.00 -1.91 0.00 0.00 174.94 175.50 1wcq n ALA 406 N 7.58 2.29 -1.14 0.00 0.00 -1.26 -0.30 120.51 127.68 1wcq n ALA 406 Ca 0.46 -3.42 -0.34 0.00 0.00 0.00 0.00 53.44 50.15 1wcq n ALA 406 Cb 0.37 -0.85 0.12 0.00 0.00 0.00 0.00 19.45 19.08 1wcq n ALA 406 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wcq n PRO 407 N 0.98 0.23 -3.62 0.00 -0.04 -1.18 -4.65 135.00 126.73 1wcq n PRO 407 Ca 0.23 0.15 -0.14 0.00 -0.04 0.00 0.00 63.50 63.69 1wcq n PRO 407 Cb 0.58 -2.37 -0.06 0.00 -0.04 0.00 0.00 33.50 31.60 1wcq n PRO 407 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1wcq s PHE 408 N -2.07 -0.38 0.05 0.54 -0.12 -1.26 -0.38 117.98 114.35 1wcq s PHE 408 Ca 0.73 0.48 0.05 0.00 -0.05 0.00 0.00 56.93 58.14 1wcq s PHE 408 Cb -0.30 0.28 -0.02 0.00 -0.63 0.00 0.00 43.02 42.35 1wcq s PHE 408 CO 0.51 -0.58 -0.15 0.95 -0.05 0.00 0.00 175.22 175.90 1wcq s THR 409 N -2.09 1.22 -0.03 -4.49 -4.23 -0.72 -4.77 115.64 100.53 1wcq s THR 409 Ca -0.07 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 1wcq s THR 409 Cb -0.01 -1.11 0.03 0.00 1.34 0.00 0.00 72.50 72.75 1wcq s THR 409 CO 0.01 -0.01 0.00 -0.63 -0.54 0.00 0.00 174.62 173.45 1wcq s ILE 410 N -0.93 0.16 0.72 2.99 1.01 -1.26 -2.06 121.20 121.83 1wcq s ILE 410 Ca 0.02 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.67 1wcq s ILE 410 Cb -0.08 -0.27 0.02 0.00 0.01 0.00 0.00 42.46 42.14 1wcq s ILE 410 CO 0.02 0.15 1.07 -2.16 0.00 0.00 0.00 174.94 174.01 1wcq s PRO 411 N 1.09 2.73 0.73 2.79 0.04 -1.26 -4.70 135.00 136.42 1wcq s PRO 411 Ca -0.09 1.03 -0.14 0.00 0.04 0.00 0.00 61.00 61.84 1wcq s PRO 411 Cb -0.13 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.48 1wcq s PRO 411 CO -0.02 -1.26 1.15 -0.51 0.04 0.00 0.00 177.00 176.40 1wcq s ASP 412 N -3.64 4.41 0.00 6.66 1.01 -1.26 -4.68 116.67 119.17 1wcq s ASP 412 Ca 0.59 2.14 -0.15 0.00 0.71 0.00 0.00 52.55 55.84 1wcq s ASP 412 Cb -0.15 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.24 1wcq s ASP 412 CO 0.55 -2.11 0.32 0.54 0.21 0.00 0.00 175.17 174.69 1wcq s VAL 413 N -2.32 0.06 -0.06 -1.27 0.11 -0.69 -4.99 120.40 111.24 1wcq s VAL 413 Ca 0.69 -0.52 0.03 0.00 -2.93 0.00 0.00 61.98 59.26 1wcq s VAL 413 Cb -0.24 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 33.86 1wcq s VAL 413 CO 0.47 -0.28 -0.15 0.00 -3.33 0.00 0.00 175.10 171.80 1wcq s ALA 414 N -1.72 2.62 0.24 1.54 0.00 -1.26 -0.42 121.76 122.77 1wcq s ALA 414 Ca -0.11 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 50.84 1wcq s ALA 414 Cb -0.04 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 1wcq s ALA 414 CO 0.02 0.50 0.28 -0.48 0.00 0.00 0.00 175.76 176.08 1wcq s LEU 415 N -0.51 0.96 0.51 0.00 0.05 -0.26 -4.93 118.68 114.49 1wcq s LEU 415 Ca 0.07 -1.31 -0.08 0.00 0.05 0.00 0.00 54.13 52.86 1wcq s LEU 415 Cb -0.12 0.92 -0.04 0.00 -2.05 0.00 0.00 46.19 44.90 1wcq s LEU 415 CO 0.01 -1.00 0.85 -1.61 -0.55 0.00 0.00 176.35 174.05 1wcq s GLU 416 N -3.91 3.60 0.48 1.48 0.41 -1.26 -1.93 118.70 117.56 1wcq s GLU 416 Ca 0.34 0.38 -0.24 0.00 -0.41 0.00 0.00 54.97 55.04 1wcq s GLU 416 Cb 0.03 -2.30 -0.07 0.00 -1.78 0.00 0.00 34.13 30.02 1wcq s GLU 416 CO 0.14 -0.27 1.32 -1.25 -0.49 0.00 0.00 175.26 174.70 1wcq s PRO 417 N -4.71 3.55 -0.10 0.39 0.04 -1.26 -2.79 135.00 130.12 1wcq s PRO 417 Ca 0.50 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.69 1wcq s PRO 417 Cb -0.10 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1wcq s PRO 417 CO 0.45 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 177.06 1wcq n GLY 418 N 0.63 0.49 3.44 0.56 0.00 0.13 -4.62 105.19 105.83 1wcq n GLY 418 Ca 0.07 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.20 1.59 0.12 1.61 -0.21 -1.12 -4.79 119.66 115.66 1wcq s GLN 419 Ca 0.00 -1.78 0.02 0.00 0.02 0.00 0.00 55.36 53.61 1wcq s GLN 419 Cb 0.00 -1.36 -0.04 0.00 1.00 0.00 0.00 33.01 32.61 1wcq s GLN 419 CO 0.00 0.13 -0.04 1.14 -2.12 0.00 0.00 175.29 174.40 1wcq s GLN 420 N -3.65 0.92 0.02 2.91 -2.07 -1.26 -1.67 119.66 114.86 1wcq s GLN 420 Ca 0.29 -1.40 -0.25 0.00 -1.82 0.00 0.00 55.36 52.18 1wcq s GLN 420 Cb 0.01 -0.19 0.06 0.00 -1.09 0.00 0.00 33.01 31.81 1wcq s GLN 420 CO 0.12 -0.07 0.57 0.54 -1.32 0.00 0.00 175.29 175.14 1wcq s VAL 421 N -3.67 0.02 -0.12 3.63 0.11 -0.85 -5.01 120.40 114.51 1wcq s VAL 421 Ca 0.16 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 59.09 1wcq s VAL 421 Cb 0.06 -0.96 -0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1wcq s VAL 421 CO -0.02 -0.08 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.58 1wcq s THR 422 N -2.10 2.33 0.06 5.04 2.01 -1.26 -1.56 115.64 120.15 1wcq s THR 422 Ca -0.07 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.08 1wcq s THR 422 Cb -0.01 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1wcq s THR 422 CO 0.01 0.54 -0.09 0.68 -0.69 0.00 0.00 174.62 175.08 1wcq s VAL 423 N 0.54 3.48 0.52 3.82 -7.23 -0.27 -4.97 120.40 116.29 1wcq s VAL 423 Ca -0.12 -1.05 -0.19 0.00 -1.81 0.00 0.00 61.98 58.80 1wcq s VAL 423 Cb -0.17 -2.57 -0.07 0.00 0.56 0.00 0.00 36.38 34.13 1wcq s VAL 423 CO 0.04 0.24 1.07 -2.16 -0.31 0.00 0.00 175.10 173.99 1wcq s PRO 424 N -1.85 3.57 -0.10 4.82 0.04 -1.26 -1.42 135.00 138.80 1wcq s PRO 424 Ca 0.20 1.44 -0.00 0.00 0.04 0.00 0.00 61.00 62.67 1wcq s PRO 424 Cb -0.11 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1wcq s PRO 424 CO 0.11 -0.64 -0.08 0.08 0.04 0.00 0.00 177.00 176.51 1wcq s VAL 425 N -1.96 3.53 -0.15 -0.36 1.01 -0.44 -4.17 120.40 117.86 1wcq s VAL 425 Ca 0.69 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1wcq s VAL 425 Cb -0.19 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.74 1wcq s VAL 425 CO 0.25 0.56 -0.15 0.00 0.00 0.00 0.00 175.10 175.75 1wcq s ALA 426 N -0.26 1.91 -0.26 5.51 0.00 -0.87 -1.69 121.76 126.10 1wcq s ALA 426 Ca 0.03 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 51.00 1wcq s ALA 426 Cb -0.13 -1.06 -0.00 0.00 0.00 0.00 0.00 23.12 21.93 1wcq s ALA 426 CO 0.03 -0.37 0.03 0.08 0.00 0.00 0.00 175.76 175.53 1wcq s VAL 427 N 1.45 3.75 -0.53 0.00 1.01 -0.06 -1.76 120.40 124.26 1wcq s VAL 427 Ca 0.05 -0.57 -0.22 0.00 0.00 0.00 0.00 61.98 61.23 1wcq s VAL 427 Cb -0.13 -2.83 0.05 0.00 0.00 0.00 0.00 36.38 33.46 1wcq s VAL 427 CO -0.11 0.24 0.81 -0.89 0.00 0.00 0.00 175.10 175.16 1wcq s THR 428 N 1.50 4.58 -0.51 3.92 2.01 0.49 -1.22 115.64 126.42 1wcq s THR 428 Ca 0.04 -0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 1wcq s THR 428 Cb -0.16 -4.44 0.02 0.00 0.01 0.00 0.00 72.50 67.94 1wcq s THR 428 CO 0.00 -0.98 1.25 0.21 -0.69 0.00 0.00 174.62 174.41 1wcq s ASN 429 N 2.76 6.45 0.00 3.53 2.47 -0.88 -3.07 114.94 126.19 1wcq s ASN 429 Ca 0.24 0.41 0.19 0.00 0.42 0.00 0.00 52.86 54.13 1wcq s ASN 429 Cb -0.15 -2.55 0.50 0.00 -1.45 0.00 0.00 41.25 37.60 1wcq s ASN 429 CO 0.16 -1.42 1.41 0.00 -3.72 0.00 0.00 177.10 173.54 1wcq n GLN 430 N 8.18 2.63 0.06 0.43 6.02 0.58 -3.96 117.38 131.32 1wcq n GLN 430 Ca 0.12 -2.38 0.13 0.00 -0.01 0.00 0.00 57.00 54.86 1wcq n GLN 430 Cb 0.49 -1.47 0.31 0.00 1.02 0.00 0.00 30.24 30.59 1wcq n GLN 430 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1wcq n SER 431 N 1.31 0.62 0.00 1.08 3.41 -0.61 -4.89 113.62 114.54 1wcq n SER 431 Ca 0.20 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1wcq n SER 431 Cb 0.56 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1wcq n SER 431 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wcq n GLY 432 N 1.37 0.85 3.62 5.00 0.00 -1.26 -4.99 105.19 109.78 1wcq n GLY 432 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.65 3.49 -0.01 -0.61 -4.36 -1.26 -4.54 121.20 111.27 1wcq s ILE 433 Ca 0.00 -1.48 -0.24 0.00 -0.26 0.00 0.00 60.65 58.67 1wcq s ILE 433 Cb 0.00 -2.73 -0.05 0.00 1.25 0.00 0.00 42.46 40.93 1wcq s ILE 433 CO 0.00 -0.08 0.72 0.00 0.24 0.00 0.00 174.94 175.82 1wcq s ALA 434 N -1.65 3.36 -0.32 2.27 0.00 -1.26 -3.83 121.76 120.33 1wcq s ALA 434 Ca 0.26 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.42 1wcq s ALA 434 Cb -0.09 -2.96 0.10 0.00 0.00 0.00 0.00 23.12 20.17 1wcq s ALA 434 CO 0.17 -0.00 0.09 0.08 0.00 0.00 0.00 175.76 176.09 1wcq s VAL 435 N 0.33 1.35 0.32 0.00 1.01 0.34 -4.99 120.40 118.77 1wcq s VAL 435 Ca 0.38 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.61 1wcq s VAL 435 Cb -0.19 -2.01 0.26 0.00 0.00 0.00 0.00 36.38 34.44 1wcq s VAL 435 CO 0.20 -0.66 1.99 -0.65 0.00 0.00 0.00 175.10 175.98 1wcq h PRO 436 N 7.89 0.96 -2.07 2.72 0.11 -1.96 -1.58 132.00 138.08 1wcq h PRO 436 Ca -0.10 -0.06 -0.54 0.00 0.11 0.00 0.00 66.00 65.41 1wcq h PRO 436 Cb 1.01 -0.22 -0.40 0.00 0.11 0.00 0.00 31.00 31.50 1wcq h PRO 436 CO 0.49 0.64 -1.01 1.63 -0.21 0.00 0.00 178.00 179.54 1wcq n LYS 437 N -4.42 1.40 -1.36 1.05 4.76 -1.26 -4.45 118.16 113.87 1wcq n LYS 437 Ca 0.08 -3.70 -0.33 0.00 -2.87 0.00 0.00 58.31 51.49 1wcq n LYS 437 Cb 0.04 -1.67 0.09 0.00 -1.84 0.00 0.00 35.03 31.64 1wcq n LYS 437 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1wcq s PRO 438 N -2.12 2.16 0.16 1.97 0.04 -1.26 -4.90 135.00 131.06 1wcq s PRO 438 Ca 0.39 1.48 0.01 0.00 0.04 0.00 0.00 61.00 62.92 1wcq s PRO 438 Cb 0.25 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.88 1wcq s PRO 438 CO -0.09 -1.76 0.02 -1.54 0.04 0.00 0.00 177.00 173.67 1wcq s SER 439 N -2.62 0.99 -0.11 6.66 1.04 -0.60 -4.67 113.70 114.38 1wcq s SER 439 Ca 0.68 -1.19 -0.01 0.00 0.48 0.00 0.00 55.95 55.91 1wcq s SER 439 Cb -0.23 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.09 1wcq s SER 439 CO 0.49 -0.61 -0.04 -0.22 0.98 0.00 0.00 173.24 173.83 1wcq s LEU 440 N -3.14 1.07 -0.19 2.42 2.96 -1.26 -0.61 118.68 119.92 1wcq s LEU 440 Ca 0.24 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1wcq s LEU 440 Cb 0.06 -0.72 -0.01 0.00 0.50 0.00 0.00 46.19 46.03 1wcq s LEU 440 CO 0.04 -0.16 -0.09 -1.58 -1.32 0.00 0.00 176.35 173.24 1wcq s GLN 441 N 1.78 3.33 0.09 1.98 0.74 0.81 -4.48 119.66 123.91 1wcq s GLN 441 Ca 0.04 -0.67 0.02 0.00 0.05 0.00 0.00 55.36 54.81 1wcq s GLN 441 Cb -0.13 -2.84 -0.04 0.00 1.10 0.00 0.00 33.01 31.10 1wcq s GLN 441 CO -0.07 -0.08 0.13 -0.51 -0.55 0.00 0.00 175.29 174.20 1wcq s LEU 442 N 1.13 3.97 -0.30 3.68 1.02 -1.26 0.48 118.68 127.40 1wcq s LEU 442 Ca 0.01 0.06 0.02 0.00 0.02 0.00 0.00 54.13 54.24 1wcq s LEU 442 Cb -0.14 -2.62 0.08 0.00 0.02 0.00 0.00 46.19 43.53 1wcq s LEU 442 CO -0.02 0.16 0.00 -1.81 0.02 0.00 0.00 176.35 174.70 1wcq s ASP 443 N -2.54 4.38 0.45 2.29 1.01 0.78 -4.98 116.67 118.07 1wcq s ASP 443 Ca 0.31 -1.71 0.03 0.00 0.71 0.00 0.00 52.55 51.90 1wcq s ASP 443 Cb -0.12 -1.39 -0.02 0.00 1.01 0.00 0.00 42.92 42.40 1wcq s ASP 443 CO 0.24 -0.32 0.10 0.00 0.21 0.00 0.00 175.17 175.40 1wcq s ALA 444 N 1.16 3.37 0.16 5.23 0.00 -1.26 -1.84 121.76 128.58 1wcq s ALA 444 Ca 0.03 -0.86 -0.34 0.00 0.00 0.00 0.00 51.96 50.79 1wcq s ALA 444 Cb -0.19 0.53 -0.15 0.00 0.00 0.00 0.00 23.12 23.31 1wcq s ALA 444 CO -0.10 -0.24 1.31 0.43 0.00 0.00 0.00 175.76 177.17 1wcq n SER 445 N -1.38 1.92 -0.10 0.00 7.64 -1.26 -4.86 113.62 115.58 1wcq n SER 445 Ca -0.11 1.13 0.26 0.00 1.01 0.00 0.00 58.87 61.16 1wcq n SER 445 Cb 0.65 -1.27 0.71 0.00 -1.01 0.00 0.00 64.21 63.29 1wcq n SER 445 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1wcq h PRO 446 N 4.21 0.00 0.00 1.43 0.11 -2.03 -1.81 132.00 133.91 1wcq h PRO 446 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1wcq h PRO 446 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1wcq h PRO 446 CO 0.76 0.00 -0.15 0.38 -0.21 0.00 0.00 178.00 178.77 1wcq h ASP 447 N 0.00 0.00 -4.16 -2.05 2.03 -1.99 -3.45 116.42 106.79 1wcq h ASP 447 Ca 0.36 -0.03 -0.48 0.00 -0.73 0.00 0.00 57.03 56.15 1wcq h ASP 447 Cb 1.66 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 40.20 1wcq h ASP 447 CO -0.00 0.02 0.38 0.26 -1.03 0.00 0.00 179.24 178.86 1wcq s TRP 448 N -3.16 3.15 -0.24 4.15 0.52 -0.68 -4.68 118.94 118.00 1wcq s TRP 448 Ca 0.08 1.52 -0.05 0.00 0.02 0.00 0.00 56.10 57.67 1wcq s TRP 448 Cb 0.10 -2.95 -0.01 0.00 -1.15 0.00 0.00 33.47 29.46 1wcq s TRP 448 CO 0.65 -0.77 -0.00 -1.14 0.02 0.00 0.00 176.95 175.71 1wcq s GLN 449 N -3.84 3.39 -0.06 4.98 0.74 -0.94 -4.90 119.66 119.04 1wcq s GLN 449 Ca 0.63 -0.63 0.02 0.00 0.05 0.00 0.00 55.36 55.43 1wcq s GLN 449 Cb -0.14 -3.13 0.02 0.00 1.10 0.00 0.00 33.01 30.86 1wcq s GLN 449 CO 0.30 -0.23 -0.09 0.08 -0.55 0.00 0.00 175.29 174.80 1wcq s VAL 450 N 1.51 0.94 -0.16 1.34 1.01 -1.26 -0.83 120.40 122.95 1wcq s VAL 450 Ca 0.05 -0.35 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 1wcq s VAL 450 Cb -0.15 -0.89 0.06 0.00 0.00 0.00 0.00 36.38 35.41 1wcq s VAL 450 CO -0.01 0.32 0.64 0.00 0.00 0.00 0.00 175.10 176.05 1wcq s GLN 451 N 0.85 0.87 0.20 2.72 -2.07 -0.77 -4.82 119.66 116.63 1wcq s GLN 451 Ca -0.12 0.59 -0.13 0.00 -1.82 0.00 0.00 55.36 53.89 1wcq s GLN 451 Cb -0.15 0.42 0.01 0.00 -1.09 0.00 0.00 33.01 32.19 1wcq s GLN 451 CO 0.01 -0.19 0.42 0.20 -1.32 0.00 0.00 175.29 174.42 1wcq s GLY 452 N -0.34 0.28 0.15 2.60 0.00 -1.26 -0.87 107.32 107.88 1wcq s GLY 452 Ca -0.05 -0.64 -0.06 0.00 0.00 0.00 0.00 44.72 43.97 1wcq s GLY 452 CO 0.05 -0.57 0.21 -1.35 0.00 0.00 0.00 173.10 171.44 1wcq s SER 453 N -2.95 0.13 0.01 1.64 1.04 -0.71 -4.43 113.70 108.42 1wcq s SER 453 Ca 0.16 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1wcq s SER 453 Cb 0.01 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 1wcq s SER 453 CO 0.01 -0.84 -0.02 0.54 0.98 0.00 0.00 173.24 173.91 1wcq s VAL 454 N -4.00 0.13 0.86 5.02 0.11 -1.26 -1.19 120.40 120.06 1wcq s VAL 454 Ca 0.20 -0.26 -0.12 0.00 -2.93 0.00 0.00 61.98 58.87 1wcq s VAL 454 Cb 0.05 -0.15 0.11 0.00 -1.53 0.00 0.00 36.38 34.85 1wcq s VAL 454 CO 0.01 -0.09 1.11 -1.61 -3.33 0.00 0.00 175.10 171.18 1wcq s GLU 455 N -0.37 1.58 0.58 1.54 2.02 0.45 -4.71 118.70 119.78 1wcq s GLU 455 Ca -0.03 0.57 -0.20 0.00 0.02 0.00 0.00 54.97 55.34 1wcq s GLU 455 Cb -0.03 -1.87 -0.05 0.00 0.10 0.00 0.00 34.13 32.28 1wcq s GLU 455 CO -0.00 -1.96 1.04 -2.30 0.02 0.00 0.00 175.26 172.06 1wcq n PRO 456 N -3.65 1.07 -3.34 0.39 -0.02 -1.26 -4.78 135.00 123.41 1wcq n PRO 456 Ca 0.07 0.41 -0.38 0.00 -2.02 0.00 0.00 63.50 61.57 1wcq n PRO 456 Cb 0.57 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.76 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 -2.18 4.45 0.06 2.45 1.43 -0.59 -4.81 118.68 119.48 1wcq s LEU 457 Ca 0.74 1.08 0.05 0.00 -1.03 0.00 0.00 54.13 54.98 1wcq s LEU 457 Cb -0.43 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 1wcq s LEU 457 CO 0.48 0.21 -0.15 -0.04 0.23 0.00 0.00 176.35 177.08 1wcq s MET 458 N -0.64 0.93 0.22 1.70 -1.94 -1.26 -0.51 119.30 117.80 1wcq s MET 458 Ca 0.27 -0.87 -0.32 0.00 -1.71 0.00 0.00 55.69 53.06 1wcq s MET 458 Cb -0.18 -0.97 -0.14 0.00 2.01 0.00 0.00 34.83 35.55 1wcq s MET 458 CO 0.16 0.23 1.32 -2.30 -0.01 0.00 0.00 175.02 174.42 1wcq n PRO 459 N 1.60 1.73 -1.47 2.03 -0.02 -1.25 -2.57 135.00 135.05 1wcq n PRO 459 Ca -0.19 0.62 -0.16 0.00 -2.02 0.00 0.00 63.50 61.74 1wcq n PRO 459 Cb 0.54 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.74 1wcq n PRO 459 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wcq n GLY 460 N 2.11 1.62 3.29 -1.23 0.00 -1.25 -4.98 105.19 104.74 1wcq n GLY 460 Ca 0.13 -0.26 -0.28 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 -3.36 1.58 -0.28 1.61 1.81 -1.06 -5.01 118.95 114.24 1wcq s ARG 461 Ca 0.00 -1.02 -0.23 0.00 -1.72 0.00 0.00 55.73 52.77 1wcq s ARG 461 Cb 0.00 -1.72 -0.01 0.00 -0.45 0.00 0.00 34.95 32.78 1wcq s ARG 461 CO 0.00 0.44 0.76 -1.14 -0.68 0.00 0.00 175.30 174.68 1wcq s GLN 462 N -1.20 4.05 0.23 3.54 0.74 -1.26 -2.08 119.66 123.68 1wcq s GLN 462 Ca 0.09 0.66 -0.14 0.00 0.05 0.00 0.00 55.36 56.02 1wcq s GLN 462 Cb -0.09 -3.69 -0.08 0.00 1.10 0.00 0.00 33.01 30.25 1wcq s GLN 462 CO 0.02 -0.57 0.63 0.00 -0.55 0.00 0.00 175.29 174.82 1wcq s ALA 463 N 2.81 3.48 0.27 1.58 0.00 -0.36 -4.87 121.76 124.66 1wcq s ALA 463 Ca 0.31 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.19 1wcq s ALA 463 Cb -0.15 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 1wcq s ALA 463 CO 0.10 0.41 0.49 0.15 0.00 0.00 0.00 175.76 176.92 1wcq s LYS 464 N -2.42 3.57 0.03 0.00 1.02 -1.26 -0.88 119.74 119.80 1wcq s LYS 464 Ca 0.45 -0.17 -0.01 0.00 0.02 0.00 0.00 55.97 56.26 1wcq s LYS 464 Cb -0.13 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 1wcq s LYS 464 CO 0.20 0.27 0.05 0.41 -0.92 0.00 0.00 175.35 175.35 1wcq n GLY 465 N -0.97 2.57 3.27 -3.33 0.00 -0.68 -0.41 105.19 105.64 1wcq n GLY 465 Ca -0.03 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.04 0.84 -0.02 1.61 1.03 -0.33 -1.33 119.66 119.41 1wcq s GLN 466 Ca 0.02 -0.48 0.03 0.00 0.04 0.00 0.00 55.36 54.97 1wcq s GLN 466 Cb -0.00 0.36 -0.00 0.00 0.03 0.00 0.00 33.01 33.40 1wcq s GLN 466 CO 0.01 -0.27 -0.11 0.08 -2.54 0.00 0.00 175.29 172.46 1wcq s VAL 467 N -2.55 0.90 -0.13 3.63 1.01 -0.50 -1.75 120.40 121.01 1wcq s VAL 467 Ca -0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 1wcq s VAL 467 Cb -0.01 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 1wcq s VAL 467 CO -0.03 0.27 -0.09 -0.89 0.00 0.00 0.00 175.10 174.36 1wcq s THR 468 N 0.08 3.42 -0.11 3.92 2.01 -0.05 -1.11 115.64 123.80 1wcq s THR 468 Ca -0.02 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.48 1wcq s THR 468 Cb -0.08 -2.45 0.01 0.00 0.01 0.00 0.00 72.50 69.98 1wcq s THR 468 CO 0.00 0.52 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.62 1wcq s ILE 469 N 0.17 1.91 -0.17 1.82 1.01 -0.60 -1.85 121.20 123.48 1wcq s ILE 469 Ca -0.05 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1wcq s ILE 469 Cb -0.14 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.65 1wcq s ILE 469 CO 0.04 0.52 -0.16 -0.89 0.00 0.00 0.00 174.94 174.45 1wcq s THR 470 N 0.62 2.47 -0.23 2.92 2.01 -0.01 -2.00 115.64 121.41 1wcq s THR 470 Ca -0.13 -0.82 -0.09 0.00 0.31 0.00 0.00 61.69 60.97 1wcq s THR 470 Cb -0.17 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 1wcq s THR 470 CO 0.03 0.51 0.10 -0.69 -0.69 0.00 0.00 174.62 173.89 1wcq s VAL 471 N 1.10 4.86 0.31 3.82 1.01 -0.67 -2.21 120.40 128.63 1wcq s VAL 471 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 1wcq s VAL 471 Cb -0.14 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.89 1wcq s VAL 471 CO -0.06 0.38 1.40 -2.84 0.00 0.00 0.00 175.10 173.98 1wcq s PRO 472 N 1.03 4.26 0.38 2.72 0.02 -1.26 -0.69 135.00 141.46 1wcq s PRO 472 Ca 0.05 2.34 -0.25 0.00 0.02 0.00 0.00 61.00 63.16 1wcq s PRO 472 Cb -0.14 -3.06 -0.13 0.00 0.02 0.00 0.00 34.50 31.20 1wcq s PRO 472 CO 0.04 -0.35 0.78 0.00 -0.33 0.00 0.00 177.00 177.13 1wcq n ALA 473 N 1.26 -0.86 -0.04 -1.55 0.00 -1.26 -2.04 120.51 116.01 1wcq n ALA 473 Ca 0.03 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1wcq n ALA 473 Cb 0.41 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 1.51 0.79 3.71 0.00 0.00 -1.26 -4.80 105.19 105.13 1wcq n GLY 474 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1wcq n GLY 474 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wcq s THR 475 N -2.31 2.79 0.24 2.61 2.01 -0.87 -4.99 115.64 115.11 1wcq s THR 475 Ca 0.00 0.46 -0.31 0.00 0.31 0.00 0.00 61.69 62.15 1wcq s THR 475 Cb 0.00 -3.29 -0.13 0.00 0.01 0.00 0.00 72.50 69.09 1wcq s THR 475 CO 0.00 0.02 1.48 0.41 -0.69 0.00 0.00 174.62 175.84 1wcq n THR 476 N 4.28 0.81 -1.68 -0.82 -1.04 -1.26 -4.80 114.28 109.77 1wcq n THR 476 Ca 0.15 -0.20 -0.44 0.00 -2.04 0.00 0.00 64.05 61.52 1wcq n THR 476 Cb 0.39 -1.60 -0.02 0.00 -1.82 0.00 0.00 70.33 67.29 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 2.30 2.01 -3.64 -2.82 -0.02 -1.26 -4.88 135.00 126.68 1wcq n PRO 477 Ca 0.12 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1wcq n PRO 477 Cb 0.32 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 1.36 -1.56 3.47 -1.23 0.00 -0.60 -4.97 105.19 101.66 1wcq n GLY 478 Ca 0.08 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.45 3.62 -0.16 1.61 0.52 -1.26 -0.83 118.95 120.99 1wcq s ARG 479 Ca 0.00 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 54.68 1wcq s ARG 479 Cb 0.00 -2.88 0.01 0.00 0.52 0.00 0.00 34.95 32.60 1wcq s ARG 479 CO 0.00 0.22 -0.20 0.71 0.02 0.00 0.00 175.30 176.05 1wcq s TYR 480 N 0.42 2.74 -0.01 -0.53 2.02 -0.02 -4.95 117.35 117.01 1wcq s TYR 480 Ca -0.05 -1.44 -0.27 0.00 -0.37 0.00 0.00 57.07 54.94 1wcq s TYR 480 Cb -0.14 -1.88 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 1wcq s TYR 480 CO 0.03 -0.69 0.87 0.50 -1.57 0.00 0.00 175.55 174.69 1wcq s ARG 481 N 1.05 4.52 -0.16 -0.62 3.52 -1.26 -0.69 118.95 125.32 1wcq s ARG 481 Ca -0.01 1.21 -0.00 0.00 -0.13 0.00 0.00 55.73 56.80 1wcq s ARG 481 Cb -0.14 -3.44 -0.00 0.00 -1.56 0.00 0.00 34.95 29.80 1wcq s ARG 481 CO -0.07 0.04 -0.15 0.08 -0.81 0.00 0.00 175.30 174.39 1wcq s VAL 482 N 0.77 2.72 0.33 7.11 1.01 0.69 -4.83 120.40 128.20 1wcq s VAL 482 Ca 0.46 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 1wcq s VAL 482 Cb -0.20 -2.15 -0.09 0.00 0.00 0.00 0.00 36.38 33.93 1wcq s VAL 482 CO 0.24 0.51 0.81 -0.83 0.00 0.00 0.00 175.10 175.84 1wcq s GLY 483 N 0.83 2.46 -0.02 4.51 0.00 -0.77 -1.89 107.32 112.44 1wcq s GLY 483 Ca -0.05 0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.91 1wcq s GLY 483 CO -0.00 0.50 -0.08 0.00 0.00 0.00 0.00 173.10 173.52 1wcq s ALA 484 N -1.90 0.69 -0.12 3.20 0.00 -0.12 -0.16 121.76 123.35 1wcq s ALA 484 Ca 0.54 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1wcq s ALA 484 Cb -0.12 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.78 1wcq s ALA 484 CO 0.18 0.13 -0.14 0.99 0.00 0.00 0.00 175.76 176.92 1wcq s THR 485 N 0.06 1.43 -0.28 0.00 2.01 0.18 -1.98 115.64 117.05 1wcq s THR 485 Ca -0.01 -0.58 -0.22 0.00 0.31 0.00 0.00 61.69 61.19 1wcq s THR 485 Cb -0.06 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 1wcq s THR 485 CO -0.00 0.43 0.72 -0.22 -0.69 0.00 0.00 174.62 174.86 1wcq s LEU 486 N 1.18 4.09 -0.13 4.42 2.96 -0.49 -0.13 118.68 130.58 1wcq s LEU 486 Ca -0.03 0.67 -0.02 0.00 -0.22 0.00 0.00 54.13 54.54 1wcq s LEU 486 Cb -0.14 -2.98 -0.02 0.00 0.50 0.00 0.00 46.19 43.54 1wcq s LEU 486 CO -0.04 -0.51 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.28 1wcq s ARG 487 N 2.75 3.42 0.14 1.98 0.52 0.21 -1.52 118.95 126.45 1wcq s ARG 487 Ca 0.30 -0.56 -0.02 0.00 -0.52 0.00 0.00 55.73 54.93 1wcq s ARG 487 Cb -0.15 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.50 1wcq s ARG 487 CO 0.11 0.32 0.08 0.95 0.02 0.00 0.00 175.30 176.78 1wcq s THR 488 N 0.12 0.10 -0.78 0.02 -4.23 -0.91 -1.55 115.64 108.40 1wcq s THR 488 Ca -0.02 -1.86 0.21 0.00 -1.18 0.00 0.00 61.69 58.83 1wcq s THR 488 Cb -0.14 -2.04 0.20 0.00 1.34 0.00 0.00 72.50 71.87 1wcq s THR 488 CO 0.03 -0.44 1.65 -1.54 -0.54 0.00 0.00 174.62 173.79 1wcq n SER 489 N -0.11 0.33 0.04 3.99 3.41 -1.26 -2.11 113.62 117.91 1wcq n SER 489 Ca -0.05 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.24 1wcq n SER 489 Cb 0.64 -0.64 0.17 0.00 -0.26 0.00 0.00 64.21 64.12 1wcq n SER 489 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wcq n ALA 490 N -1.63 3.15 0.00 7.33 0.00 -1.26 -5.06 120.51 123.03 1wcq n ALA 490 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1wcq n ALA 490 Cb 0.25 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1wcq n ALA 490 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wcq n GLY 491 N 1.39 1.47 3.51 0.00 0.00 -0.90 -4.53 105.19 106.13 1wcq n GLY 491 Ca 0.04 -2.01 -0.26 0.00 0.00 0.00 0.00 46.02 43.78 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 0.00 3.90 0.16 1.61 0.01 -0.43 -2.13 114.94 118.05 1wcq s ASN 492 Ca 0.00 -0.73 0.05 0.00 -0.71 0.00 0.00 52.86 51.47 1wcq s ASN 492 Cb 0.00 -0.51 -0.05 0.00 0.41 0.00 0.00 41.25 41.10 1wcq s ASN 492 CO 0.00 0.10 -0.10 0.00 -1.51 0.00 0.00 177.10 175.59 1wcq s ALA 493 N -1.79 1.56 0.08 0.60 0.00 -0.58 -1.87 121.76 119.76 1wcq s ALA 493 Ca 0.24 -1.54 0.02 0.00 0.00 0.00 0.00 51.96 50.69 1wcq s ALA 493 Cb -0.08 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 1wcq s ALA 493 CO 0.13 -0.08 -0.08 -1.54 0.00 0.00 0.00 175.76 174.19 1wcq s SER 494 N -3.20 1.09 0.35 0.00 1.04 0.14 -1.39 113.70 111.73 1wcq s SER 494 Ca 0.18 -0.79 0.03 0.00 0.48 0.00 0.00 55.95 55.85 1wcq s SER 494 Cb 0.02 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 1wcq s SER 494 CO 0.02 -0.32 0.41 0.28 0.98 0.00 0.00 173.24 174.61 1wcq s THR 495 N -2.51 0.00 0.16 2.02 -1.32 -0.84 -4.75 115.64 108.40 1wcq s THR 495 Ca 0.02 -1.77 0.01 0.00 -1.21 0.00 0.00 61.69 58.75 1wcq s THR 495 Cb -0.02 -2.61 -0.04 0.00 -1.51 0.00 0.00 72.50 68.31 1wcq s THR 495 CO -0.02 0.00 0.01 0.42 -2.21 0.00 0.00 174.62 172.82 1wcq s THR 496 N -3.10 0.59 0.23 5.08 -4.23 -1.26 -0.95 115.64 112.01 1wcq s THR 496 Ca 0.35 -1.97 -0.06 0.00 -1.18 0.00 0.00 61.69 58.83 1wcq s THR 496 Cb 0.00 -2.08 -0.02 0.00 1.34 0.00 0.00 72.50 71.75 1wcq s THR 496 CO 0.25 -0.50 0.31 0.72 -0.54 0.00 0.00 174.62 174.85 1wcq s PHE 497 N -3.71 0.80 -0.08 3.99 -0.12 -0.79 -4.79 117.98 113.28 1wcq s PHE 497 Ca 0.23 -1.08 0.02 0.00 -0.05 0.00 0.00 56.93 56.05 1wcq s PHE 497 Cb 0.06 -0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.24 1wcq s PHE 497 CO 0.03 -0.83 -0.14 0.99 -0.05 0.00 0.00 175.22 175.22 1wcq s THR 498 N -4.04 3.05 -0.26 -4.49 2.01 -1.26 -0.23 115.64 110.43 1wcq s THR 498 Ca 0.31 -0.70 -0.06 0.00 0.31 0.00 0.00 61.69 61.55 1wcq s THR 498 Cb 0.03 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 1wcq s THR 498 CO 0.11 0.57 0.04 -0.69 -0.69 0.00 0.00 174.62 173.96 1wcq s VAL 499 N -0.31 3.93 -0.11 3.82 1.01 0.13 -1.71 120.40 127.16 1wcq s VAL 499 Ca 0.03 -0.45 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 1wcq s VAL 499 Cb -0.13 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 1wcq s VAL 499 CO 0.03 0.27 0.35 -0.89 0.00 0.00 0.00 175.10 174.86 1wcq s THR 500 N 1.54 5.23 -0.20 3.92 2.01 0.44 -0.84 115.64 127.73 1wcq s THR 500 Ca 0.05 0.69 0.01 0.00 0.31 0.00 0.00 61.69 62.75 1wcq s THR 500 Cb -0.16 -3.68 0.04 0.00 0.01 0.00 0.00 72.50 68.71 1wcq s THR 500 CO 0.01 0.43 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.54 1wcq s VAL 501 N 0.05 1.93 -1.49 3.82 1.01 -0.01 -1.10 120.40 124.61 1wcq s VAL 501 Ca 0.20 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1wcq s VAL 501 Cb -0.14 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1wcq s VAL 501 CO 0.08 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1wcq n GLY 502 N 4.60 -0.15 3.43 4.51 0.00 -0.81 -1.56 105.19 115.20 1wcq n GLY 502 Ca -0.17 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.81 2.48 0.76 0.99 1.43 -1.25 -2.10 118.68 116.18 1wcq s LEU 503 Ca 0.00 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 1wcq s LEU 503 Cb 0.00 -1.41 0.05 0.00 0.03 0.00 0.00 46.19 44.86 1wcq s LEU 503 CO 0.00 0.22 1.08 -0.76 0.23 0.00 0.00 176.35 177.12 1wcq s LEU 504 N -1.75 2.86 -0.39 1.79 1.43 -0.29 -4.67 118.68 117.67 1wcq s LEU 504 Ca 0.15 1.54 -0.29 0.00 -1.03 0.00 0.00 54.13 54.50 1wcq s LEU 504 Cb -0.10 -4.26 0.02 0.00 0.03 0.00 0.00 46.19 41.87 1wcq s LEU 504 CO 0.06 -1.83 1.23 -0.62 0.23 0.00 0.00 176.35 175.43 1wcq s ASP 505 N -3.72 6.62 0.36 2.29 -1.08 -1.26 -4.80 116.67 115.08 1wcq s ASP 505 Ca 0.60 0.83 0.04 0.00 -0.52 0.00 0.00 52.55 53.50 1wcq s ASP 505 Cb -0.15 -2.54 0.66 0.00 -1.46 0.00 0.00 42.92 39.43 1wcq s ASP 505 CO 0.55 -1.19 1.97 1.56 0.52 0.00 0.00 175.17 178.58 1wcq h GLN 506 N 9.40 0.67 0.00 4.34 4.20 -1.93 -2.38 115.11 129.41 1wcq h GLN 506 Ca -0.24 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.39 1wcq h GLN 506 Cb 1.08 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.73 1wcq h GLN 506 CO 1.08 0.52 -0.01 0.00 -0.67 0.00 0.00 178.83 179.75 1wcq h ALA 507 N 1.59 1.06 0.00 3.87 0.00 -1.91 -0.65 119.26 123.23 1wcq h ALA 507 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1wcq h ALA 507 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wcq h ALA 507 CO -0.02 0.01 -0.64 0.54 0.00 0.00 0.00 179.25 179.14 1wcq n ARG 508 N -3.19 0.05 -2.49 0.00 1.74 -0.90 -4.96 116.66 106.92 1wcq n ARG 508 Ca -0.02 0.01 -0.28 0.00 -0.77 0.00 0.00 57.85 56.79 1wcq n ARG 508 Cb 0.13 -1.52 0.01 0.00 -1.02 0.00 0.00 32.46 30.05 1wcq n ARG 508 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1wcq s MET 509 N -3.03 3.39 0.11 5.56 -1.94 -0.25 -3.86 119.30 119.28 1wcq s MET 509 Ca 0.09 0.21 -0.09 0.00 -1.71 0.00 0.00 55.69 54.19 1wcq s MET 509 Cb 0.17 -2.32 -0.00 0.00 2.01 0.00 0.00 34.83 34.69 1wcq s MET 509 CO 0.74 -0.37 0.22 -1.54 -0.01 0.00 0.00 175.02 174.05 1wcq s SER 510 N -4.16 0.10 -0.03 3.03 1.04 -0.45 -4.98 113.70 108.24 1wcq s SER 510 Ca 0.50 -0.72 -0.30 0.00 0.48 0.00 0.00 55.95 55.91 1wcq s SER 510 Cb -0.10 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.35 1wcq s SER 510 CO 0.46 -0.78 1.12 -0.63 0.98 0.00 0.00 173.24 174.39 1wcq s ILE 511 N -3.89 4.43 -0.13 -1.02 -1.09 -1.26 -0.58 121.20 117.65 1wcq s ILE 511 Ca 0.09 1.74 -0.06 0.00 -2.23 0.00 0.00 60.65 60.18 1wcq s ILE 511 Cb 0.04 -4.12 -0.25 0.00 -1.58 0.00 0.00 42.46 36.56 1wcq s ILE 511 CO -0.08 0.05 0.30 0.00 -1.23 0.00 0.00 174.94 173.99 1wcq n ALA 512 N 4.64 0.94 -3.50 9.38 0.00 0.95 -4.80 120.51 128.13 1wcq n ALA 512 Ca 0.09 -0.64 -0.13 0.00 0.00 0.00 0.00 53.44 52.77 1wcq n ALA 512 Cb 0.48 -0.62 -0.04 0.00 0.00 0.00 0.00 19.45 19.27 1wcq n ALA 512 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1wcq s ASP 513 N -6.99 -0.51 -0.09 0.00 1.47 -1.21 -5.00 116.67 104.34 1wcq s ASP 513 Ca -0.24 0.28 -0.07 0.00 1.18 0.00 0.00 52.55 53.70 1wcq s ASP 513 Cb 0.07 0.48 0.03 0.00 -0.34 0.00 0.00 42.92 43.15 1wcq s ASP 513 CO 0.75 -0.67 0.22 0.54 0.68 0.00 0.00 175.17 176.70 1wcq s VAL 514 N -2.39 -0.01 0.42 2.11 0.11 -1.26 -0.31 120.40 119.07 1wcq s VAL 514 Ca -0.02 0.03 0.17 0.00 -2.93 0.00 0.00 61.98 59.23 1wcq s VAL 514 Cb -0.01 -0.32 0.18 0.00 -1.53 0.00 0.00 36.38 34.71 1wcq s VAL 514 CO -0.03 0.01 1.97 -2.24 -3.33 0.00 0.00 175.10 171.48 1wcq h ASP 515 N 6.04 0.00 -2.75 3.54 2.03 -0.27 -3.46 116.42 121.55 1wcq h ASP 515 Ca -0.28 0.00 0.11 0.00 -0.73 0.00 0.00 57.03 56.13 1wcq h ASP 515 Cb 1.19 0.00 -0.28 0.00 -0.83 0.00 0.00 39.33 39.40 1wcq h ASP 515 CO 0.37 0.22 0.57 -0.55 -1.03 0.00 0.00 179.24 178.81 1wcq s SER 516 N -6.80 -0.34 -0.11 4.15 0.15 -1.26 -5.02 113.70 104.47 1wcq s SER 516 Ca -0.03 0.62 -0.10 0.00 0.70 0.00 0.00 55.95 57.14 1wcq s SER 516 Cb 0.15 0.75 0.03 0.00 -1.71 0.00 0.00 66.02 65.24 1wcq s SER 516 CO 0.68 -0.11 0.30 -1.83 1.20 0.00 0.00 173.24 173.48 1wcq s GLU 517 N 0.42 0.36 -0.05 5.44 -1.05 -1.26 -4.32 118.70 118.23 1wcq s GLU 517 Ca 0.01 0.40 -0.30 0.00 -0.15 0.00 0.00 54.97 54.93 1wcq s GLU 517 Cb -0.05 0.17 -0.03 0.00 -0.44 0.00 0.00 34.13 33.79 1wcq s GLU 517 CO -0.10 -0.05 1.08 -2.00 0.95 0.00 0.00 175.26 175.14 1wcq s GLU 518 N 0.11 4.43 0.00 -4.83 2.56 -0.24 -4.17 118.70 116.56 1wcq s GLU 518 Ca -0.00 1.52 0.00 0.00 0.00 0.00 0.00 54.97 56.49 1wcq s GLU 518 Cb -0.02 -3.51 0.00 0.00 2.00 0.00 0.00 34.13 32.60 1wcq s GLU 518 CO 0.01 -0.29 0.00 0.25 -0.56 0.00 0.00 175.26 174.66 1wcq n THR 519 N 4.37 0.00 -0.03 -1.70 -2.24 -1.23 -0.82 114.28 112.62 1wcq n THR 519 Ca 0.09 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.70 1wcq n THR 519 Cb 0.48 0.34 -0.11 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.01 -0.00 6.98 0.00 -2.02 -3.37 119.26 120.85 1wcq h ALA 520 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 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 -0.17 -0.40 0.54 0.00 0.00 0.00 179.25 179.23 1wcq n ARG 521 N -4.77 3.00 -3.89 0.00 5.12 -1.26 -5.00 116.66 109.86 1wcq n ARG 521 Ca -0.09 -0.23 -0.07 0.00 -1.93 0.00 0.00 57.85 55.52 1wcq n ARG 521 Cb 0.32 -1.04 -0.03 0.00 -1.16 0.00 0.00 32.46 30.56 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 1.75 -1.02 5.56 -1.05 -1.26 -5.09 118.70 115.80 1wcq s GLU 522 Ca 0.06 -1.05 -0.18 0.00 -0.15 0.00 0.00 54.97 53.65 1wcq s GLU 522 Cb 0.08 0.58 0.13 0.00 -0.44 0.00 0.00 34.13 34.49 1wcq s GLU 522 CO 0.37 -0.79 1.25 0.34 0.95 0.00 0.00 175.26 177.38 1wcq s ASP 523 N -2.94 6.73 -0.25 0.83 -1.08 -1.26 -3.56 116.67 115.14 1wcq s ASP 523 Ca 0.13 -2.24 0.13 0.00 -0.52 0.00 0.00 52.55 50.05 1wcq s ASP 523 Cb -0.05 -2.42 0.59 0.00 -1.46 0.00 0.00 42.92 39.58 1wcq s ASP 523 CO 0.07 -1.03 1.55 0.61 0.52 0.00 0.00 175.17 176.90 1wcq n GLY 524 N 5.27 4.15 3.70 2.66 0.00 0.00 -4.62 105.19 116.35 1wcq n GLY 524 Ca 0.29 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.56 2.23 -0.33 1.61 1.74 -1.23 -1.02 116.66 119.09 1wcq n ARG 525 Ca 0.30 0.79 0.17 0.00 -0.77 0.00 0.00 57.85 58.34 1wcq n ARG 525 Cb 1.08 -2.45 0.37 0.00 -1.02 0.00 0.00 32.46 30.44 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 3.68 1.71 0.00 7.54 0.00 -1.91 -1.83 119.26 128.45 1wcq h ALA 526 Ca -0.46 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1wcq h ALA 526 Cb 1.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1wcq h ALA 526 CO 0.71 -0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.53 1wcq n SER 527 N -4.93 0.07 0.13 0.00 3.41 -1.26 -1.45 113.62 109.59 1wcq n SER 527 Ca 0.26 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.52 1wcq n SER 527 Cb 0.73 -0.54 0.46 0.00 -0.26 0.00 0.00 64.21 64.60 1wcq n SER 527 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1wcq h ASN 528 N 0.00 0.00 1.23 4.04 2.35 -1.62 -2.23 115.58 119.35 1wcq h ASN 528 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wcq h ASN 528 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1wcq h ASN 528 CO 0.00 0.00 0.00 -0.37 -1.65 0.00 0.00 177.43 175.41 1wcq h VAL 529 N 0.00 0.00 0.00 2.81 -1.51 -1.42 -3.30 116.25 112.84 1wcq h VAL 529 Ca 0.00 -0.43 -0.01 0.00 -1.23 0.00 0.00 66.70 65.02 1wcq h VAL 529 Cb 0.54 1.34 -0.03 0.00 -2.13 0.00 0.00 31.29 31.02 1wcq h VAL 529 CO 0.00 0.00 -0.37 2.30 -1.23 0.00 0.00 177.57 178.27 1wcq n ILE 530 N -2.37 1.87 1.14 7.19 -5.35 -0.84 -0.17 119.36 120.83 1wcq n ILE 530 Ca 0.04 -2.64 0.12 0.00 -0.27 0.00 0.00 62.75 60.00 1wcq n ILE 530 Cb 0.36 -0.13 0.21 0.00 -1.74 0.00 0.00 39.64 38.34 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 -1.08 2.20 0.00 7.28 5.75 -1.23 -4.69 116.55 124.78 1wcq n ASP 531 Ca 0.16 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 1wcq n ASP 531 Cb 0.70 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.92 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 1.33 0.42 3.11 6.12 0.00 -1.26 -5.00 105.19 109.91 1wcq n GLY 532 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.04 5.18 0.64 1.61 3.84 -1.26 -4.97 114.94 117.93 1wcq s ASN 533 Ca 0.00 -2.02 0.32 0.00 0.21 0.00 0.00 52.86 51.37 1wcq s ASN 533 Cb 0.00 -1.80 1.75 0.00 -0.55 0.00 0.00 41.25 40.65 1wcq s ASN 533 CO 0.00 -0.51 1.98 -0.65 -2.79 0.00 0.00 177.10 175.13 1wcq h PRO 534 N 7.99 0.00 0.00 0.43 0.11 -1.95 -2.08 132.00 136.50 1wcq h PRO 534 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1wcq h PRO 534 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1wcq h PRO 534 CO 0.67 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.33 1wcq n SER 535 N -2.86 0.33 -4.40 -2.05 3.41 -1.26 -4.60 113.62 102.19 1wcq n SER 535 Ca -0.02 0.56 -0.30 0.00 -0.26 0.00 0.00 58.87 58.84 1wcq n SER 535 Cb 0.29 -0.64 -0.13 0.00 -0.26 0.00 0.00 64.21 63.47 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 -3.10 2.46 0.04 6.66 -4.23 -0.78 -4.94 115.64 111.75 1wcq s THR 536 Ca 0.09 -1.36 -0.01 0.00 -1.18 0.00 0.00 61.69 59.22 1wcq s THR 536 Cb 0.12 -2.02 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 1wcq s THR 536 CO 0.43 0.30 -0.01 0.72 -0.54 0.00 0.00 174.62 175.53 1wcq s PHE 537 N -0.91 0.36 0.28 3.99 -0.12 -1.26 -4.44 117.98 115.88 1wcq s PHE 537 Ca 0.14 -0.76 -0.29 0.00 -0.05 0.00 0.00 56.93 55.96 1wcq s PHE 537 Cb -0.10 -0.27 -0.09 0.00 -0.63 0.00 0.00 43.02 41.93 1wcq s PHE 537 CO 0.04 -0.31 1.01 -0.46 -0.05 0.00 0.00 175.22 175.46 1wcq s TRP 538 N -2.76 3.74 -0.03 3.49 -0.00 0.17 -4.11 118.94 119.44 1wcq s TRP 538 Ca -0.04 1.80 0.01 0.00 -0.00 0.00 0.00 56.10 57.87 1wcq s TRP 538 Cb -0.00 -3.10 0.02 0.00 -0.00 0.00 0.00 33.47 30.38 1wcq s TRP 538 CO -0.06 -0.04 -0.03 -1.58 -0.00 0.00 0.00 176.95 175.24 1wcq s HIS 539 N -1.26 0.55 0.88 5.86 5.65 -0.19 -1.52 115.29 125.26 1wcq s HIS 539 Ca 0.45 -0.11 -0.13 0.00 0.25 0.00 0.00 55.06 55.51 1wcq s HIS 539 Cb -0.27 -0.52 0.04 0.00 -1.18 0.00 0.00 32.58 30.65 1wcq s HIS 539 CO 0.34 -0.14 0.61 0.25 -0.65 0.00 0.00 174.74 175.15 1wcq n THR 540 N 3.93 0.68 -1.95 0.89 -2.24 0.28 -1.08 114.28 114.80 1wcq n THR 540 Ca -0.25 -0.22 -0.41 0.00 -2.27 0.00 0.00 64.05 60.90 1wcq n THR 540 Cb 0.51 -0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 1wcq n THR 540 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1wcq s GLU 541 N -3.60 4.23 0.00 -0.78 2.12 -1.26 -3.64 118.70 115.76 1wcq s GLU 541 Ca 0.62 2.39 0.00 0.00 0.36 0.00 0.00 54.97 58.34 1wcq s GLU 541 Cb -0.25 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.08 1wcq s GLU 541 CO 0.62 -0.43 0.00 -2.67 -0.54 0.00 0.00 175.26 172.24 1wcq n TRP 542 N 1.62 0.00 1.76 5.30 4.27 -1.26 -4.75 117.44 124.38 1wcq n TRP 542 Ca 0.04 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.81 1wcq n TRP 542 Cb 0.40 0.00 0.76 0.00 -1.36 0.00 0.00 31.31 31.11 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 -0.79 0.61 -4.31 -0.67 3.41 -1.26 -4.54 113.62 106.07 1wcq n SER 543 Ca 0.00 -1.16 -0.33 0.00 -0.26 0.00 0.00 58.87 57.12 1wcq n SER 543 Cb 0.01 -0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 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 -2.04 3.29 0.46 4.33 0.52 -1.26 -5.02 118.95 119.23 1wcq s ARG 544 Ca 0.43 -0.72 0.22 0.00 -0.52 0.00 0.00 55.73 55.14 1wcq s ARG 544 Cb 0.21 -2.63 1.22 0.00 0.52 0.00 0.00 34.95 34.28 1wcq s ARG 544 CO 0.36 0.10 1.87 0.00 0.02 0.00 0.00 175.30 177.66 1wcq h ALA 545 N 7.04 2.42 -0.00 2.13 0.00 -1.98 -1.47 119.26 127.40 1wcq h ALA 545 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1wcq h ALA 545 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1wcq h ALA 545 CO 0.56 -0.70 -0.00 -0.40 0.00 0.00 0.00 179.25 178.71 1wcq n ASP 546 N -4.44 0.03 -4.39 0.00 5.68 -1.26 -4.89 116.55 107.29 1wcq n ASP 546 Ca 0.19 -0.60 -0.41 0.00 -0.50 0.00 0.00 54.79 53.47 1wcq n ASP 546 Cb 0.79 -0.13 0.01 0.00 -1.14 0.00 0.00 41.12 40.64 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 -1.12 -2.07 -1.78 2.12 0.00 -0.56 -4.94 120.51 112.17 1wcq n ALA 547 Ca 0.19 0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.42 1wcq n ALA 547 Cb 0.18 -1.65 0.01 0.00 0.00 0.00 0.00 19.45 17.98 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 -1.41 3.53 0.00 0.00 0.04 -1.26 -5.08 135.00 130.83 1wcq s PRO 548 Ca 0.62 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1wcq s PRO 548 Cb -0.59 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1wcq s PRO 548 CO 0.60 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.43 1wcq n GLY 549 N -2.04 1.16 3.79 0.56 0.00 -1.26 -4.87 105.19 102.52 1wcq n GLY 549 Ca 0.07 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 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 1.45 2.89 0.53 1.61 2.02 -1.25 -4.48 117.35 120.11 1wcq s TYR 550 Ca 0.00 1.54 -0.18 0.00 -0.37 0.00 0.00 57.07 58.05 1wcq s TYR 550 Cb 0.00 -3.09 -0.06 0.00 -0.40 0.00 0.00 41.96 38.41 1wcq s TYR 550 CO 0.00 -1.20 1.06 -1.25 -1.57 0.00 0.00 175.55 172.58 1wcq s PRO 551 N -3.76 3.56 0.38 -1.71 0.04 -1.26 -5.09 135.00 127.16 1wcq s PRO 551 Ca 0.66 1.34 0.08 0.00 0.04 0.00 0.00 61.00 63.12 1wcq s PRO 551 Cb -0.18 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1wcq s PRO 551 CO 0.32 -0.63 0.14 -1.01 0.04 0.00 0.00 177.00 175.86 1wcq s HIS 552 N -2.12 2.62 -0.25 0.56 3.76 -0.38 -4.98 115.29 114.50 1wcq s HIS 552 Ca 0.67 -0.51 -0.20 0.00 -0.15 0.00 0.00 55.06 54.86 1wcq s HIS 552 Cb -0.17 -1.81 0.07 0.00 1.11 0.00 0.00 32.58 31.78 1wcq s HIS 552 CO 0.27 0.27 0.64 0.50 -0.85 0.00 0.00 174.74 175.57 1wcq s ARG 553 N -3.86 0.73 -0.05 1.40 3.52 -1.26 -1.25 118.95 118.17 1wcq s ARG 553 Ca 0.39 0.96 -0.04 0.00 -0.13 0.00 0.00 55.73 56.91 1wcq s ARG 553 Cb 0.02 0.30 0.02 0.00 -1.56 0.00 0.00 34.95 33.72 1wcq s ARG 553 CO 0.22 -0.11 0.12 -1.50 -0.81 0.00 0.00 175.30 173.23 1wcq s ILE 554 N 0.66 -0.01 -0.01 4.11 2.07 -0.99 0.56 121.20 127.59 1wcq s ILE 554 Ca -0.03 0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.28 1wcq s ILE 554 Cb -0.05 -0.19 -0.01 0.00 0.13 0.00 0.00 42.46 42.35 1wcq s ILE 554 CO -0.04 0.01 -0.10 -0.44 -1.91 0.00 0.00 174.94 172.46 1wcq s SER 555 N 0.26 1.16 -0.10 4.50 0.01 0.58 -1.84 113.70 118.26 1wcq s SER 555 Ca -0.02 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1wcq s SER 555 Cb -0.03 -0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 1wcq s SER 555 CO -0.01 0.12 -0.10 -0.76 0.41 0.00 0.00 173.24 172.90 1wcq s LEU 556 N -0.26 2.94 -0.16 2.44 1.02 0.43 -0.03 118.68 125.05 1wcq s LEU 556 Ca 0.04 -0.19 -0.21 0.00 0.02 0.00 0.00 54.13 53.78 1wcq s LEU 556 Cb -0.04 -1.65 -0.03 0.00 0.02 0.00 0.00 46.19 44.49 1wcq s LEU 556 CO -0.00 0.25 0.64 -0.62 0.02 0.00 0.00 176.35 176.64 1wcq s ASP 557 N -0.13 6.77 0.00 2.29 -1.08 0.25 -1.83 116.67 122.94 1wcq s ASP 557 Ca 0.00 0.93 0.27 0.00 -0.52 0.00 0.00 52.55 53.24 1wcq s ASP 557 Cb -0.13 -2.36 0.97 0.00 -1.46 0.00 0.00 42.92 39.93 1wcq s ASP 557 CO 0.03 -0.22 1.73 0.18 0.52 0.00 0.00 175.17 177.41 1wcq n LEU 558 N 4.65 0.27 0.00 -1.34 4.77 -0.33 -1.34 117.00 123.68 1wcq n LEU 558 Ca -0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1wcq n LEU 558 Cb 0.50 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1wcq n LEU 558 CO 0.45 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1wcq n GLY 559 N 1.46 0.85 0.00 -0.72 0.00 -1.25 -4.28 105.19 101.25 1wcq n GLY 559 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.56 3.71 -0.02 0.00 -1.26 -5.06 105.19 101.13 1wcq n GLY 560 Ca 0.00 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 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 5.04 0.04 2.61 2.01 -1.26 -4.41 115.64 117.66 1wcq s THR 561 Ca 0.00 1.47 0.00 0.00 0.31 0.00 0.00 61.69 63.47 1wcq s THR 561 Cb 0.00 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 1wcq s THR 561 CO 0.00 0.24 -0.04 -1.00 -0.69 0.00 0.00 174.62 173.13 1wcq s HIS 562 N 0.87 0.44 -0.14 4.92 4.02 -0.90 -4.94 115.29 119.56 1wcq s HIS 562 Ca 0.38 -0.72 -0.29 0.00 1.02 0.00 0.00 55.06 55.45 1wcq s HIS 562 Cb -0.18 -0.30 -0.01 0.00 -1.02 0.00 0.00 32.58 31.07 1wcq s HIS 562 CO 0.18 -0.23 1.17 0.99 1.02 0.00 0.00 174.74 177.87 1wcq s THR 563 N -2.35 4.41 0.20 1.30 2.01 -1.26 -0.94 115.64 119.01 1wcq s THR 563 Ca -0.06 1.71 0.08 0.00 0.31 0.00 0.00 61.69 63.72 1wcq s THR 563 Cb -0.03 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 1wcq s THR 563 CO -0.04 -0.09 -0.14 0.27 -0.69 0.00 0.00 174.62 173.93 1wcq s ILE 564 N 2.88 1.72 0.00 1.82 -4.36 -0.15 -1.60 121.20 121.52 1wcq s ILE 564 Ca 0.52 -2.20 0.00 0.00 -0.26 0.00 0.00 60.65 58.71 1wcq s ILE 564 Cb -0.21 -2.04 0.00 0.00 1.25 0.00 0.00 42.46 41.47 1wcq s ILE 564 CO 0.16 -0.60 0.23 -1.54 0.24 0.00 0.00 174.94 173.43 1wcq n SER 565 N -0.37 0.00 -3.63 4.36 3.41 0.15 -1.78 113.62 115.77 1wcq n SER 565 Ca -0.08 -1.04 -0.03 0.00 -0.26 0.00 0.00 58.87 57.47 1wcq n SER 565 Cb 0.60 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 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 -0.04 -0.24 0.03 5.00 0.00 -1.23 -0.89 107.32 109.95 1wcq s GLY 566 Ca 0.00 1.78 0.07 0.00 0.00 0.00 0.00 44.72 46.57 1wcq s GLY 566 CO 0.00 0.59 -0.20 -2.27 0.00 0.00 0.00 173.10 171.22 1wcq s LEU 567 N -2.11 2.14 -0.13 0.66 2.96 0.61 -1.47 118.68 121.35 1wcq s LEU 567 Ca 0.11 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1wcq s LEU 567 Cb -0.01 -0.95 -0.01 0.00 0.50 0.00 0.00 46.19 45.73 1wcq s LEU 567 CO -0.03 0.17 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.91 1wcq s GLN 568 N -1.01 3.28 -0.17 1.98 -0.21 0.60 0.53 119.66 124.67 1wcq s GLN 568 Ca 0.07 -0.74 -0.02 0.00 0.02 0.00 0.00 55.36 54.69 1wcq s GLN 568 Cb -0.08 -2.55 -0.01 0.00 1.00 0.00 0.00 33.01 31.36 1wcq s GLN 568 CO 0.01 0.17 -0.09 -0.47 -2.12 0.00 0.00 175.29 172.80 1wcq s TYR 569 N 0.42 2.89 -0.20 0.91 5.04 0.58 -1.66 117.35 125.32 1wcq s TYR 569 Ca -0.12 -0.74 -0.03 0.00 -2.44 0.00 0.00 57.07 53.74 1wcq s TYR 569 Cb -0.16 -1.95 -0.01 0.00 0.35 0.00 0.00 41.96 40.18 1wcq s TYR 569 CO 0.06 -0.33 -0.05 0.99 -1.34 0.00 0.00 175.55 174.88 1wcq s THR 570 N 0.77 3.37 0.81 4.34 2.01 -0.75 -0.51 115.64 125.68 1wcq s THR 570 Ca -0.04 -0.50 -0.12 0.00 0.31 0.00 0.00 61.69 61.34 1wcq s THR 570 Cb -0.15 -2.52 0.08 0.00 0.01 0.00 0.00 72.50 69.93 1wcq s THR 570 CO 0.01 0.44 1.15 0.00 -0.69 0.00 0.00 174.62 175.53 1wcq s ARG 571 N 1.25 1.78 0.27 4.92 1.70 -1.26 -0.79 118.95 126.82 1wcq s ARG 571 Ca 0.03 1.51 -0.30 0.00 -0.47 0.00 0.00 55.73 56.50 1wcq s ARG 571 Cb -0.14 -1.82 -0.13 0.00 -0.57 0.00 0.00 34.95 32.29 1wcq s ARG 571 CO -0.02 -2.06 1.31 -2.13 -1.08 0.00 0.00 175.30 171.32 1wcq n ARG 572 N -3.47 1.90 -0.00 3.89 0.63 -1.25 -4.13 116.66 114.23 1wcq n ARG 572 Ca 0.12 0.67 -0.03 0.00 -0.92 0.00 0.00 57.85 57.69 1wcq n ARG 572 Cb 0.52 -2.26 -0.11 0.00 0.45 0.00 0.00 32.46 31.05 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 1.46 0.63 -0.41 -0.14 1.13 -1.26 -4.38 117.38 114.41 1wcq n GLN 573 Ca 0.10 0.20 0.08 0.00 -1.94 0.00 0.00 57.00 55.43 1wcq n GLN 573 Cb 0.32 -1.75 0.24 0.00 0.11 0.00 0.00 30.24 29.16 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 -2.89 3.75 -3.54 1.08 6.94 -1.26 -4.92 115.26 114.43 1wcq n ASN 574 Ca -0.14 -2.83 -0.18 0.00 -0.02 0.00 0.00 54.58 51.41 1wcq n ASN 574 Cb 0.93 -0.49 -0.06 0.00 -2.36 0.00 0.00 39.78 37.80 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 -1.74 -0.64 0.00 0.53 0.15 -1.26 -5.09 113.70 105.64 1wcq s SER 575 Ca 0.39 0.73 0.01 0.00 0.70 0.00 0.00 55.95 57.78 1wcq s SER 575 Cb 0.30 0.58 0.01 0.00 -1.71 0.00 0.00 66.02 65.20 1wcq s SER 575 CO 0.10 -0.58 0.79 0.00 1.20 0.00 0.00 173.24 174.75 1wcq n ALA 576 N 1.03 2.23 -0.51 5.45 0.00 -1.26 -4.68 120.51 122.77 1wcq n ALA 576 Ca -0.19 -0.78 0.08 0.00 0.00 0.00 0.00 53.44 52.55 1wcq n ALA 576 Cb 0.57 -0.02 0.24 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.23 3.69 -1.13 0.00 3.02 -1.26 -4.29 115.26 115.05 1wcq n ASN 577 Ca 0.00 -2.37 -0.03 0.00 -0.03 0.00 0.00 54.58 52.16 1wcq n ASN 577 Cb 0.15 -0.41 0.14 0.00 -0.61 0.00 0.00 39.78 39.05 1wcq n ASN 577 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wcq n GLU 578 N 0.48 2.09 -3.19 3.52 4.71 -1.26 -4.65 120.64 122.33 1wcq n GLU 578 Ca 0.18 -3.49 -0.39 0.00 -0.01 0.00 0.00 57.16 53.46 1wcq n GLU 578 Cb 0.67 -1.71 -0.05 0.00 -1.01 0.00 0.00 31.44 29.33 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 -3.17 4.36 0.32 3.49 -0.21 -1.26 -1.03 119.66 122.16 1wcq s GLN 579 Ca 0.41 0.68 -0.29 0.00 0.02 0.00 0.00 55.36 56.19 1wcq s GLN 579 Cb 0.38 -3.40 -0.10 0.00 1.00 0.00 0.00 33.01 30.89 1wcq s GLN 579 CO -0.04 0.21 1.31 0.08 -2.12 0.00 0.00 175.29 174.73 1wcq s VAL 580 N 0.36 2.74 0.00 1.09 1.01 -1.26 -1.35 120.40 122.99 1wcq s VAL 580 Ca 0.31 0.74 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1wcq s VAL 580 Cb -0.17 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1wcq s VAL 580 CO 0.15 0.17 0.00 0.00 0.00 0.00 0.00 175.10 175.42 1wcq n ALA 581 N 0.94 0.56 -2.00 5.51 0.00 0.59 -4.49 120.51 121.61 1wcq n ALA 581 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1wcq n ALA 581 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 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 0.19 6.84 0.06 0.00 1.01 -1.25 -0.94 116.67 122.59 1wcq s ASP 582 Ca 0.00 2.44 -0.00 0.00 0.71 0.00 0.00 52.55 55.70 1wcq s ASP 582 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 1wcq s ASP 582 CO 0.00 -0.57 -0.04 -0.72 0.21 0.00 0.00 175.17 174.05 1wcq s TYR 583 N 0.22 0.61 0.03 4.23 -0.85 -0.56 -0.41 117.35 120.61 1wcq s TYR 583 Ca 0.58 -0.98 0.04 0.00 -0.52 0.00 0.00 57.07 56.19 1wcq s TYR 583 Cb -0.37 -0.41 -0.02 0.00 0.38 0.00 0.00 41.96 41.54 1wcq s TYR 583 CO 0.38 -0.30 -0.13 -1.21 -1.52 0.00 0.00 175.55 172.77 1wcq s GLU 584 N -3.68 0.89 -0.04 -3.49 2.02 -0.73 -2.84 118.70 110.82 1wcq s GLU 584 Ca 0.06 -0.66 0.04 0.00 0.02 0.00 0.00 54.97 54.44 1wcq s GLU 584 Cb 0.06 -0.87 -0.03 0.00 0.10 0.00 0.00 34.13 33.39 1wcq s GLU 584 CO -0.08 0.22 -0.16 0.42 0.02 0.00 0.00 175.26 175.68 1wcq s ILE 585 N -0.72 2.94 0.15 -1.63 1.01 0.02 -1.09 121.20 121.88 1wcq s ILE 585 Ca 0.01 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 59.95 1wcq s ILE 585 Cb -0.07 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1wcq s ILE 585 CO 0.01 0.58 -0.15 -0.31 0.00 0.00 0.00 174.94 175.07 1wcq s TYR 586 N -0.73 1.57 0.28 3.97 2.02 -0.29 -0.97 117.35 123.20 1wcq s TYR 586 Ca 0.11 -0.55 0.09 0.00 -0.37 0.00 0.00 57.07 56.35 1wcq s TYR 586 Cb -0.11 -0.79 -0.06 0.00 -0.40 0.00 0.00 41.96 40.61 1wcq s TYR 586 CO 0.00 0.23 -0.11 0.95 -1.57 0.00 0.00 175.55 175.05 1wcq s THR 587 N -2.37 1.96 -0.02 -0.71 -4.23 -1.09 -0.88 115.64 108.30 1wcq s THR 587 Ca 0.14 -2.22 -0.19 0.00 -1.18 0.00 0.00 61.69 58.24 1wcq s THR 587 Cb -0.04 -2.37 0.03 0.00 1.34 0.00 0.00 72.50 71.46 1wcq s THR 587 CO 0.05 -0.36 0.40 -0.55 -0.54 0.00 0.00 174.62 173.61 1wcq s SER 588 N -3.46 -0.31 -0.05 3.99 0.15 -0.90 -0.92 113.70 112.20 1wcq s SER 588 Ca 0.29 0.24 0.12 0.00 0.70 0.00 0.00 55.95 57.30 1wcq s SER 588 Cb 0.01 0.37 -0.23 0.00 -1.71 0.00 0.00 66.02 64.46 1wcq s SER 588 CO 0.12 -0.48 0.65 0.18 1.20 0.00 0.00 173.24 174.91 1wcq n LEU 589 N 1.20 0.95 -0.00 3.45 4.77 -1.26 -0.34 117.00 125.77 1wcq n LEU 589 Ca -0.21 0.41 0.05 0.00 -0.03 0.00 0.00 56.01 56.23 1wcq n LEU 589 Cb 0.56 0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.71 1wcq n LEU 589 CO 0.22 0.41 -0.07 -0.46 -1.33 0.00 0.00 177.39 176.16 1wcq n ASN 590 N -3.06 0.64 0.00 -1.43 6.94 -1.26 -4.40 115.26 112.68 1wcq n ASN 590 Ca -0.18 -0.69 0.00 0.00 -0.02 0.00 0.00 54.58 53.70 1wcq n ASN 590 Cb 1.05 1.04 0.00 0.00 -2.36 0.00 0.00 39.78 39.51 1wcq n ASN 590 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wcq n GLY 591 N 1.29 1.06 0.02 4.83 0.00 -1.26 -4.84 105.19 106.29 1wcq n GLY 591 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 0.24 -3.80 2.61 -2.24 -1.26 -5.00 114.28 102.84 1wcq n THR 592 Ca 0.00 -0.13 -0.35 0.00 -2.27 0.00 0.00 64.05 61.30 1wcq n THR 592 Cb 0.00 -0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 67.32 1wcq n THR 592 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wcq s THR 593 N -2.09 5.23 -0.15 4.28 -4.23 -1.26 -5.08 115.64 112.34 1wcq s THR 593 Ca -0.03 0.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.61 1wcq s THR 593 Cb 0.01 -3.38 -0.00 0.00 1.34 0.00 0.00 72.50 70.47 1wcq s THR 593 CO 0.13 0.44 -0.16 0.26 -0.54 0.00 0.00 174.62 174.74 1wcq s TRP 594 N 0.44 2.76 -0.14 3.99 0.52 -1.26 -4.39 118.94 120.86 1wcq s TRP 594 Ca 0.07 -1.03 -0.11 0.00 0.02 0.00 0.00 56.10 55.05 1wcq s TRP 594 Cb -0.12 -1.87 -0.05 0.00 -1.15 0.00 0.00 33.47 30.29 1wcq s TRP 594 CO -0.01 -0.46 0.21 -0.51 0.02 0.00 0.00 176.95 176.21 1wcq s ASP 595 N 0.75 6.40 0.00 2.95 1.01 -0.10 -4.93 116.67 122.76 1wcq s ASP 595 Ca -0.07 0.47 0.00 0.00 0.71 0.00 0.00 52.55 53.67 1wcq s ASP 595 Cb -0.15 -2.13 0.00 0.00 1.01 0.00 0.00 42.92 41.65 1wcq s ASP 595 CO 0.01 0.25 0.00 0.61 0.21 0.00 0.00 175.17 176.24 1wcq n GLY 596 N 2.79 0.85 3.70 0.21 0.00 -1.26 -2.66 105.19 108.81 1wcq n GLY 596 Ca -0.16 -2.00 -0.44 0.00 0.00 0.00 0.00 46.02 43.42 1wcq n GLY 596 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wcq n PRO 597 N 0.00 2.42 0.05 1.61 -0.02 -1.26 -5.07 135.00 132.72 1wcq n PRO 597 Ca 0.00 0.87 0.12 0.00 -2.02 0.00 0.00 63.50 62.46 1wcq n PRO 597 Cb 0.00 -2.64 0.07 0.00 -0.02 0.00 0.00 33.50 30.91 1wcq n PRO 597 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1wcq n VAL 598 N 3.01 0.31 -3.73 -1.45 0.24 -0.15 -4.88 118.33 111.68 1wcq n VAL 598 Ca 0.14 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 1wcq n VAL 598 Cb 0.33 -0.02 -0.08 0.00 -1.47 0.00 0.00 33.84 32.60 1wcq n VAL 598 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wcq s ALA 599 N -3.23 -0.89 0.22 2.33 0.00 -1.25 -4.72 121.76 114.24 1wcq s ALA 599 Ca 0.03 0.39 -0.21 0.00 0.00 0.00 0.00 51.96 52.18 1wcq s ALA 599 Cb 0.13 0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.40 1wcq s ALA 599 CO 0.77 -0.30 0.64 -1.54 0.00 0.00 0.00 175.76 175.34 1wcq s SER 600 N -1.42 -0.38 0.00 0.00 1.04 -1.26 -0.80 113.70 110.88 1wcq s SER 600 Ca -0.12 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1wcq s SER 600 Cb -0.04 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1wcq s SER 600 CO 0.04 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.71 1wcq n GLY 601 N -0.41 -0.29 2.84 7.32 0.00 -1.13 -5.01 105.19 108.51 1wcq n GLY 601 Ca -0.10 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.00 0.03 0.74 1.61 3.52 -1.26 -1.49 118.95 120.10 1wcq s ARG 602 Ca 0.00 0.40 -0.11 0.00 -0.13 0.00 0.00 55.73 55.89 1wcq s ARG 602 Cb 0.00 -0.26 0.03 0.00 -1.56 0.00 0.00 34.95 33.17 1wcq s ARG 602 CO 0.00 -0.23 1.07 -0.06 -0.81 0.00 0.00 175.30 175.28 1wcq s PHE 603 N 1.61 2.95 0.22 5.12 0.08 -0.12 -4.95 117.98 122.89 1wcq s PHE 603 Ca -0.04 1.36 0.03 0.00 0.12 0.00 0.00 56.93 58.40 1wcq s PHE 603 Cb -0.12 -2.97 0.04 0.00 -0.57 0.00 0.00 43.02 39.39 1wcq s PHE 603 CO -0.05 -1.48 0.30 0.25 -0.10 0.00 0.00 175.22 174.14 1wcq n THR 604 N -3.28 0.00 0.20 0.64 -2.24 -1.26 -4.76 114.28 103.58 1wcq n THR 604 Ca 0.08 -0.70 0.10 0.00 -2.27 0.00 0.00 64.05 61.26 1wcq n THR 604 Cb 0.54 -0.86 0.27 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.51 0.72 -1.60 4.28 -2.24 -1.26 -4.95 114.28 107.71 1wcq n THR 605 Ca 0.06 -0.76 -0.45 0.00 -2.27 0.00 0.00 64.05 60.62 1wcq n THR 605 Cb 0.22 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 68.92 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 1.23 1.56 0.08 3.42 2.88 -1.26 -4.91 113.62 116.61 1wcq n SER 606 Ca 0.20 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 59.04 1wcq n SER 606 Cb 0.51 -1.30 0.40 0.00 -0.75 0.00 0.00 64.21 63.07 1wcq n SER 606 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wcq n LEU 607 N 1.43 0.66 -4.89 2.46 4.77 -1.26 -4.61 117.00 115.56 1wcq n LEU 607 Ca 0.10 0.50 -0.29 0.00 -0.03 0.00 0.00 56.01 56.29 1wcq n LEU 607 Cb 0.31 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1wcq n LEU 607 CO 0.61 -0.13 0.56 0.00 -1.33 0.00 0.00 177.39 177.10 1wcq s ALA 608 N -3.09 3.27 0.33 -1.18 0.00 -1.26 -4.64 121.76 115.19 1wcq s ALA 608 Ca 0.11 -0.32 -0.28 0.00 0.00 0.00 0.00 51.96 51.46 1wcq s ALA 608 Cb 0.14 -2.80 -0.12 0.00 0.00 0.00 0.00 23.12 20.33 1wcq s ALA 608 CO 0.61 -0.50 1.31 -2.30 0.00 0.00 0.00 175.76 174.88 1wcq n PRO 609 N -2.47 2.13 -4.95 0.00 -0.02 -1.26 -4.71 135.00 123.72 1wcq n PRO 609 Ca 0.03 0.75 -0.32 0.00 -2.02 0.00 0.00 63.50 61.93 1wcq n PRO 609 Cb 0.55 -2.34 -0.15 0.00 -0.02 0.00 0.00 33.50 31.54 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 -1.67 2.88 0.00 -0.52 -0.21 0.33 -4.90 119.66 115.57 1wcq s GLN 610 Ca 0.57 -0.75 -0.21 0.00 0.02 0.00 0.00 55.36 55.00 1wcq s GLN 610 Cb -0.58 -2.42 -0.05 0.00 1.00 0.00 0.00 33.01 30.96 1wcq s GLN 610 CO 0.60 0.39 0.60 1.03 -2.12 0.00 0.00 175.29 175.80 1wcq s ARG 611 N -0.14 4.32 -0.25 2.91 0.52 -1.26 -0.31 118.95 124.75 1wcq s ARG 611 Ca -0.02 0.75 0.02 0.00 -0.52 0.00 0.00 55.73 55.97 1wcq s ARG 611 Cb -0.14 -3.34 0.06 0.00 0.52 0.00 0.00 34.95 32.05 1wcq s ARG 611 CO 0.04 0.38 -0.10 0.00 0.02 0.00 0.00 175.30 175.64 1wcq s ALA 612 N -0.24 2.39 0.28 2.13 0.00 0.19 -4.98 121.76 121.52 1wcq s ALA 612 Ca 0.31 -1.63 0.06 0.00 0.00 0.00 0.00 51.96 50.70 1wcq s ALA 612 Cb -0.18 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 1wcq s ALA 612 CO 0.18 -1.16 0.35 0.14 0.00 0.00 0.00 175.76 175.26 1wcq s VAL 613 N 1.19 4.63 0.08 0.00 -7.23 -1.26 -0.28 120.40 117.52 1wcq s VAL 613 Ca -0.08 -1.12 -0.25 0.00 -1.81 0.00 0.00 61.98 58.72 1wcq s VAL 613 Cb -0.19 -3.59 0.07 0.00 0.56 0.00 0.00 36.38 33.23 1wcq s VAL 613 CO -0.06 -0.28 0.61 0.72 -0.31 0.00 0.00 175.10 175.79 1wcq s PHE 614 N -2.09 -0.56 0.39 2.82 -0.12 -0.07 -4.71 117.98 113.63 1wcq s PHE 614 Ca 0.37 0.60 -0.26 0.00 -0.05 0.00 0.00 56.93 57.59 1wcq s PHE 614 Cb -0.09 0.48 -0.09 0.00 -0.63 0.00 0.00 43.02 42.69 1wcq s PHE 614 CO 0.28 -0.74 1.23 -1.25 -0.05 0.00 0.00 175.22 174.70 1wcq s PRO 615 N -2.75 4.08 0.62 1.99 0.04 -1.26 -4.54 135.00 133.18 1wcq s PRO 615 Ca -0.04 2.01 -0.18 0.00 0.04 0.00 0.00 61.00 62.83 1wcq s PRO 615 Cb -0.01 -2.78 -0.02 0.00 0.04 0.00 0.00 34.50 31.73 1wcq s PRO 615 CO -0.04 -0.35 1.21 0.00 0.04 0.00 0.00 177.00 177.86 1wcq s ALA 616 N -1.31 2.47 0.10 8.56 0.00 -1.26 -4.87 121.76 125.45 1wcq s ALA 616 Ca 0.55 0.99 -0.25 0.00 0.00 0.00 0.00 51.96 53.25 1wcq s ALA 616 Cb -0.35 -3.46 0.08 0.00 0.00 0.00 0.00 23.12 19.40 1wcq s ALA 616 CO 0.44 -1.30 0.73 -0.98 0.00 0.00 0.00 175.76 174.65 1wcq s ARG 617 N -3.45 1.11 0.29 0.00 3.03 -0.73 -4.97 118.95 114.23 1wcq s ARG 617 Ca 0.77 -0.43 -0.28 0.00 2.03 0.00 0.00 55.73 57.83 1wcq s ARG 617 Cb -0.30 0.50 -0.09 0.00 -1.03 0.00 0.00 34.95 34.02 1wcq s ARG 617 CO 0.36 -0.49 0.94 -0.51 -1.13 0.00 0.00 175.30 174.47 1wcq s ASP 618 N -2.65 7.48 -0.06 -2.89 1.01 -1.26 -0.97 116.67 117.32 1wcq s ASP 618 Ca 0.03 1.89 -0.21 0.00 0.71 0.00 0.00 52.55 54.98 1wcq s ASP 618 Cb -0.01 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.37 1wcq s ASP 618 CO -0.10 0.03 0.47 0.00 0.21 0.00 0.00 175.17 175.78 1wcq s ALA 619 N -1.41 -1.20 -0.31 5.23 0.00 -0.12 -4.77 121.76 119.18 1wcq s ALA 619 Ca 0.46 0.88 0.20 0.00 0.00 0.00 0.00 51.96 53.50 1wcq s ALA 619 Cb -0.22 -0.14 -0.28 0.00 0.00 0.00 0.00 23.12 22.48 1wcq s ALA 619 CO 0.28 -0.29 0.56 -2.13 0.00 0.00 0.00 175.76 174.17 1wcq n ARG 620 N 1.48 0.61 -4.08 0.00 0.63 0.54 -2.12 116.66 113.72 1wcq n ARG 620 Ca -0.19 -0.12 -0.14 0.00 -0.92 0.00 0.00 57.85 56.48 1wcq n ARG 620 Cb 0.56 -1.45 -0.12 0.00 0.45 0.00 0.00 32.46 31.91 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 -3.20 0.73 0.01 -0.14 2.02 0.37 -1.19 117.35 115.95 1wcq s TYR 621 Ca -0.03 -0.49 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 1wcq s TYR 621 Cb 0.13 -0.43 -0.01 0.00 -0.40 0.00 0.00 41.96 41.25 1wcq s TYR 621 CO 0.82 -0.07 -0.05 -1.50 -1.57 0.00 0.00 175.55 173.18 1wcq s ILE 622 N -1.34 0.38 -0.03 2.71 2.07 -0.76 -2.13 121.20 122.10 1wcq s ILE 622 Ca -0.09 -0.49 0.03 0.00 -1.41 0.00 0.00 60.65 58.69 1wcq s ILE 622 Cb -0.10 -0.38 0.00 0.00 0.13 0.00 0.00 42.46 42.12 1wcq s ILE 622 CO 0.01 -0.09 -0.11 -0.60 -1.91 0.00 0.00 174.94 172.24 1wcq s ARG 623 N -0.63 1.18 -0.22 3.50 3.52 -0.06 -0.43 118.95 125.81 1wcq s ARG 623 Ca -0.03 -0.36 -0.05 0.00 -0.13 0.00 0.00 55.73 55.16 1wcq s ARG 623 Cb -0.05 -1.07 -0.02 0.00 -1.56 0.00 0.00 34.95 32.26 1wcq s ARG 623 CO -0.00 0.12 -0.01 -1.17 -0.81 0.00 0.00 175.30 173.43 1wcq s LEU 624 N 0.25 3.09 -0.26 -0.88 2.96 -0.77 -1.14 118.68 121.94 1wcq s LEU 624 Ca -0.05 -0.31 -0.10 0.00 -0.22 0.00 0.00 54.13 53.45 1wcq s LEU 624 Cb -0.10 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1wcq s LEU 624 CO 0.01 -0.01 0.14 -0.69 -1.32 0.00 0.00 176.35 174.48 1wcq s VAL 625 N 1.43 4.98 -0.36 1.68 1.01 -0.25 -2.35 120.40 126.54 1wcq s VAL 625 Ca 0.05 0.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.90 1wcq s VAL 625 Cb -0.15 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1wcq s VAL 625 CO -0.00 0.31 0.55 0.00 0.00 0.00 0.00 175.10 175.95 1wcq s ALA 626 N 1.51 3.46 -0.13 5.51 0.00 -0.38 -1.78 121.76 129.95 1wcq s ALA 626 Ca 0.07 -1.00 0.18 0.00 0.00 0.00 0.00 51.96 51.20 1wcq s ALA 626 Cb -0.15 -3.07 -0.13 0.00 0.00 0.00 0.00 23.12 19.76 1wcq s ALA 626 CO 0.07 -1.29 0.80 1.28 0.00 0.00 0.00 175.76 176.62 1wcq n LEU 627 N 5.84 0.79 -3.83 0.00 4.77 0.45 -1.25 117.00 123.77 1wcq n LEU 627 Ca -0.04 0.34 -0.10 0.00 -0.03 0.00 0.00 56.01 56.19 1wcq n LEU 627 Cb 0.49 0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.60 1wcq n LEU 627 CO 0.46 0.12 0.15 -0.94 -1.33 0.00 0.00 177.39 175.86 1wcq s SER 628 N -5.67 -0.13 0.13 -1.43 1.04 -1.17 -4.60 113.70 101.87 1wcq s SER 628 Ca -0.03 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.77 1wcq s SER 628 Cb 0.09 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 1wcq s SER 628 CO 0.81 -0.99 0.28 -0.70 0.98 0.00 0.00 173.24 173.63 1wcq s GLU 629 N -3.91 3.45 0.25 4.02 -6.30 -1.26 -0.30 118.70 114.65 1wcq s GLU 629 Ca 0.12 -0.52 -0.03 0.00 -2.50 0.00 0.00 54.97 52.04 1wcq s GLU 629 Cb 0.01 -2.97 0.50 0.00 0.00 0.00 0.00 34.13 31.67 1wcq s GLU 629 CO -0.02 0.53 1.70 1.96 0.02 0.00 0.00 175.26 179.45 1wcq h GLN 630 N 2.36 0.35 -0.24 4.30 1.08 -1.47 -1.81 115.11 119.68 1wcq h GLN 630 Ca -0.48 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 56.58 1wcq h GLN 630 Cb 1.19 -0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 28.46 1wcq h GLN 630 CO 0.70 0.23 -0.25 0.25 -0.95 0.00 0.00 178.83 178.82 1wcq n THR 631 N -5.08 2.44 -1.15 -0.54 -2.24 -1.26 -4.98 114.28 101.47 1wcq n THR 631 Ca 0.15 -2.98 -0.05 0.00 -2.27 0.00 0.00 64.05 58.90 1wcq n THR 631 Cb 0.47 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.37 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 -1.12 0.78 3.89 3.38 0.00 -0.68 -5.05 105.19 106.39 1wcq n GLY 632 Ca 0.29 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.16 2.17 0.06 1.61 3.76 -1.26 -4.93 115.29 114.55 1wcq s HIS 633 Ca 0.00 0.55 -0.05 0.00 -0.15 0.00 0.00 55.06 55.41 1wcq s HIS 633 Cb 0.00 -3.77 -0.29 0.00 1.11 0.00 0.00 32.58 29.63 1wcq s HIS 633 CO 0.00 -2.34 1.08 -0.22 -0.85 0.00 0.00 174.74 172.41 1wcq h LYS 634 N -1.44 0.30 -6.08 1.40 3.64 -1.97 -3.41 116.57 109.00 1wcq h LYS 634 Ca -0.46 -0.51 -0.55 0.00 -1.27 0.00 0.00 60.65 57.86 1wcq h LYS 634 Cb 1.29 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 33.27 1wcq h LYS 634 CO 0.51 1.23 -0.43 0.71 -2.27 0.00 0.00 179.45 179.20 1wcq s TYR 635 N -2.64 3.49 -0.03 1.91 2.02 -1.26 -3.91 117.35 116.92 1wcq s TYR 635 Ca -0.05 0.21 0.07 0.00 -0.37 0.00 0.00 57.07 56.93 1wcq s TYR 635 Cb 0.07 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 1wcq s TYR 635 CO 0.89 0.48 -0.24 0.00 -1.57 0.00 0.00 175.55 175.11 1wcq s ALA 636 N -1.75 2.24 -0.01 3.71 0.00 -1.26 -4.44 121.76 120.26 1wcq s ALA 636 Ca 0.36 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 51.25 1wcq s ALA 636 Cb -0.11 -0.64 -0.00 0.00 0.00 0.00 0.00 23.12 22.36 1wcq s ALA 636 CO 0.28 0.51 -0.05 0.00 0.00 0.00 0.00 175.76 176.50 1wcq s ALA 637 N -0.52 0.47 -0.05 0.00 0.00 -0.20 -0.55 121.76 120.91 1wcq s ALA 637 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1wcq s ALA 637 Cb -0.11 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.90 1wcq s ALA 637 CO 0.00 0.11 -0.02 0.08 0.00 0.00 0.00 175.76 175.93 1wcq s VAL 638 N -0.07 0.37 0.00 0.00 1.01 -0.57 -3.78 120.40 117.37 1wcq s VAL 638 Ca 0.01 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 1wcq s VAL 638 Cb -0.03 -0.46 -0.34 0.00 0.00 0.00 0.00 36.38 35.55 1wcq s VAL 638 CO -0.00 0.21 0.96 0.00 0.00 0.00 0.00 175.10 176.27 1wcq h ALA 639 N 7.56 -0.14 -3.05 5.51 0.00 -1.12 0.50 119.26 128.53 1wcq h ALA 639 Ca -0.33 -0.82 -0.16 0.00 0.00 0.00 0.00 54.91 53.60 1wcq h ALA 639 Cb 1.14 0.16 -0.25 0.00 0.00 0.00 0.00 17.79 18.84 1wcq h ALA 639 CO 0.40 0.60 -0.42 -1.21 0.00 0.00 0.00 179.25 178.63 1wcq s GLU 640 N -2.55 0.34 -0.10 0.00 0.41 -1.17 -4.22 118.70 111.41 1wcq s GLU 640 Ca -0.11 0.26 0.03 0.00 -0.41 0.00 0.00 54.97 54.74 1wcq s GLU 640 Cb 0.03 0.16 -0.00 0.00 -1.78 0.00 0.00 34.13 32.54 1wcq s GLU 640 CO 0.91 -0.05 -0.21 -0.51 -0.49 0.00 0.00 175.26 174.91 1wcq s LEU 641 N -0.09 2.24 0.11 1.80 1.43 0.76 -1.82 118.68 123.13 1wcq s LEU 641 Ca -0.02 -0.50 0.09 0.00 -1.03 0.00 0.00 54.13 52.67 1wcq s LEU 641 Cb -0.02 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 1wcq s LEU 641 CO 0.01 0.17 -0.18 -1.61 0.23 0.00 0.00 176.35 174.97 1wcq s GLU 642 N 0.30 1.81 -0.15 1.70 0.41 -0.67 -4.68 118.70 117.41 1wcq s GLU 642 Ca -0.16 -1.17 0.02 0.00 -0.41 0.00 0.00 54.97 53.25 1wcq s GLU 642 Cb -0.17 -2.12 0.01 0.00 -1.78 0.00 0.00 34.13 30.06 1wcq s GLU 642 CO 0.08 0.48 -0.20 0.08 -0.49 0.00 0.00 175.26 175.22 1wcq s VAL 643 N -1.13 2.27 -0.06 2.63 1.01 -1.26 -0.29 120.40 123.57 1wcq s VAL 643 Ca 0.18 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 1wcq s VAL 643 Cb -0.11 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1wcq s VAL 643 CO 0.10 0.54 1.18 -1.61 0.00 0.00 0.00 175.10 175.31 1wcq s GLU 644 N 0.85 4.36 0.00 2.72 2.02 -0.54 -1.14 118.70 126.97 1wcq s GLU 644 Ca -0.06 1.65 0.00 0.00 0.02 0.00 0.00 54.97 56.58 1wcq s GLU 644 Cb -0.15 -3.55 0.00 0.00 0.10 0.00 0.00 34.13 30.53 1wcq s GLU 644 CO -0.02 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.24 1wcq n GLY 645 N 3.33 -1.33 3.53 -1.39 0.00 -0.89 -0.67 105.19 107.77 1wcq n GLY 645 Ca 0.11 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 1wcq n GLY 645 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wcq s GLN 646 N -0.95 3.69 0.00 1.61 -0.21 -0.63 -3.87 119.66 119.31 1wcq s GLN 646 Ca 0.00 -0.49 0.30 0.00 0.02 0.00 0.00 55.36 55.19 1wcq s GLN 646 Cb 0.00 -3.62 1.51 0.00 1.00 0.00 0.00 33.01 31.90 1wcq s GLN 646 CO 0.00 -0.28 2.01 2.89 -2.12 0.00 0.00 175.29 177.78