#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wvy s LYS 23 N 0.00 4.34 0.14 4.33 2.20 -1.26 -5.02 119.74 124.46 2wvy s LYS 23 Ca 0.00 2.08 0.09 0.00 -0.36 0.00 0.00 55.97 57.78 2wvy s LYS 23 Cb 0.00 -3.23 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 2wvy s LYS 23 CO 0.00 -0.38 -0.21 0.15 -0.36 0.00 0.00 175.35 174.54 2wvy s LYS 24 N 0.70 1.26 0.10 4.03 1.02 -1.26 -5.04 119.74 120.54 2wvy s LYS 24 Ca 0.62 -1.31 -0.22 0.00 0.02 0.00 0.00 55.97 55.08 2wvy s LYS 24 Cb -0.37 -1.50 -0.14 0.00 -0.52 0.00 0.00 37.83 35.30 2wvy s LYS 24 CO 0.33 0.34 1.75 1.15 -0.92 0.00 0.00 175.35 177.99 2wvy h THR 25 N 3.69 1.01 -3.58 2.17 2.02 -2.09 -3.37 112.91 112.75 2wvy h THR 25 Ca -0.46 -0.01 -0.67 0.00 0.77 0.00 0.00 66.41 66.04 2wvy h THR 25 Cb 1.19 0.96 -0.26 0.00 -1.74 0.00 0.00 68.15 68.30 2wvy h THR 25 CO 0.44 0.01 -0.64 -0.69 0.37 0.00 0.00 175.52 175.01 2wvy s VAL 26 N -6.19 3.86 0.46 3.16 1.01 -1.26 -5.10 120.40 116.34 2wvy s VAL 26 Ca -0.13 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2wvy s VAL 26 Cb 0.06 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2wvy s VAL 26 CO 0.66 0.15 0.67 -1.61 0.00 0.00 0.00 175.10 174.97 2wvy s GLU 27 N 1.50 2.95 0.24 2.72 0.41 -1.26 -4.98 118.70 120.27 2wvy s GLU 27 Ca 0.03 -0.64 -0.05 0.00 -0.41 0.00 0.00 54.97 53.90 2wvy s GLU 27 Cb -0.17 -2.58 0.38 0.00 -1.78 0.00 0.00 34.13 29.98 2wvy s GLU 27 CO 0.01 -0.33 1.79 0.74 -0.49 0.00 0.00 175.26 176.98 2wvy h PHE 28 N 0.39 0.71 0.00 1.61 0.04 -1.96 -0.98 116.94 116.76 2wvy h PHE 28 Ca -0.45 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.32 2wvy h PHE 28 Cb 1.26 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 39.20 2wvy h PHE 28 CO 0.43 0.26 -0.15 -0.24 -0.60 0.00 0.00 178.31 178.01 2wvy h VAL 29 N 0.66 0.52 0.00 -0.55 3.04 -1.92 -1.89 116.25 116.12 2wvy h VAL 29 Ca 0.38 -0.74 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 2wvy h VAL 29 Cb 0.40 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 2wvy h VAL 29 CO -0.27 0.15 0.00 0.44 -1.01 0.00 0.00 177.57 176.88 2wvy h ASP 30 N 0.00 0.00 0.91 3.17 3.32 -1.55 -1.84 116.42 120.43 2wvy h ASP 30 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wvy h ASP 30 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2wvy h ASP 30 CO 0.02 0.00 -0.38 -1.22 -1.72 0.00 0.00 179.24 175.94 2wvy n TYR 31 N -2.33 0.41 -2.62 4.55 4.01 -0.71 -4.92 117.16 115.55 2wvy n TYR 31 Ca 0.01 0.12 -0.42 0.00 -0.16 0.00 0.00 57.90 57.45 2wvy n TYR 31 Cb 0.18 -0.59 -0.03 0.00 -0.31 0.00 0.00 39.34 38.60 2wvy n TYR 31 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2wvy s VAL 32 N -3.09 4.61 -0.40 -0.72 1.01 -0.69 -4.37 120.40 116.75 2wvy s VAL 32 Ca 0.09 1.88 -0.04 0.00 0.00 0.00 0.00 61.98 63.92 2wvy s VAL 32 Cb 0.15 -4.21 0.10 0.00 0.00 0.00 0.00 36.38 32.42 2wvy s VAL 32 CO 0.66 0.09 0.19 0.21 0.00 0.00 0.00 175.10 176.26 2wvy s ASN 33 N 1.11 5.29 0.34 3.32 2.47 -1.26 -4.80 114.94 121.40 2wvy s ASN 33 Ca 0.53 -1.86 0.25 0.00 0.42 0.00 0.00 52.86 52.21 2wvy s ASN 33 Cb -0.22 -1.85 1.20 0.00 -1.45 0.00 0.00 41.25 38.93 2wvy s ASN 33 CO 0.25 -0.52 1.77 -0.65 -3.72 0.00 0.00 177.10 174.23 2wvy h PRO 34 N 8.11 0.00 0.00 0.43 0.11 -1.92 -1.74 132.00 136.99 2wvy h PRO 34 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2wvy h PRO 34 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2wvy h PRO 34 CO 0.69 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.76 2wvy n LEU 35 N -2.39 0.00 -4.67 2.35 4.77 -1.26 -3.85 117.00 111.96 2wvy n LEU 35 Ca 0.00 0.42 -0.42 0.00 -0.03 0.00 0.00 56.01 55.98 2wvy n LEU 35 Cb 0.15 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 2wvy n LEU 35 CO 0.17 -0.01 1.51 -0.32 -1.33 0.00 0.00 177.39 177.41 2wvy s MET 36 N -2.84 4.15 0.00 3.23 1.75 -0.66 -1.59 119.30 123.35 2wvy s MET 36 Ca 0.19 2.51 0.00 0.00 -1.25 0.00 0.00 55.69 57.14 2wvy s MET 36 Cb 0.19 -3.98 0.00 0.00 2.84 0.00 0.00 34.83 33.88 2wvy s MET 36 CO 0.50 -0.90 0.00 0.41 -0.65 0.00 0.00 175.02 174.38 2wvy n GLY 37 N 4.36 0.55 0.07 2.11 0.00 -0.02 -4.86 105.19 107.41 2wvy n GLY 37 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 2wvy n GLY 37 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wvy n THR 38 N -2.00 0.40 -4.27 2.61 -1.04 -0.62 -1.69 114.28 107.66 2wvy n THR 38 Ca 0.00 -0.25 -0.27 0.00 -2.04 0.00 0.00 64.05 61.49 2wvy n THR 38 Cb 0.00 -0.27 -0.09 0.00 -1.82 0.00 0.00 70.33 68.15 2wvy n THR 38 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2wvy s GLU 39 N -3.13 2.10 -1.04 -2.82 2.12 -0.54 -1.71 118.70 113.68 2wvy s GLU 39 Ca 0.08 -1.22 -0.23 0.00 0.36 0.00 0.00 54.97 53.97 2wvy s GLU 39 Cb 0.13 -2.20 0.03 0.00 0.26 0.00 0.00 34.13 32.35 2wvy s GLU 39 CO 0.67 0.45 1.60 0.45 -0.54 0.00 0.00 175.26 177.89 2wvy s SER 40 N -2.75 6.21 0.00 -1.70 0.15 -1.26 -4.50 113.70 109.85 2wvy s SER 40 Ca 0.25 -1.43 0.00 0.00 0.70 0.00 0.00 55.95 55.47 2wvy s SER 40 Cb -0.09 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2wvy s SER 40 CO 0.15 -1.78 0.00 0.59 1.20 0.00 0.00 173.24 173.41 2wvy n ASN 48 N 10.06 0.00 -4.85 5.45 3.02 -0.68 -5.10 115.26 123.15 2wvy n ASN 48 Ca 0.37 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.62 2wvy n ASN 48 Cb 0.49 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.63 2wvy n ASN 48 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2wvy s THR 49 N 0.00 1.37 0.08 3.41 -4.23 -1.13 -4.51 115.64 110.62 2wvy s THR 49 Ca 0.00 -1.71 0.02 0.00 -1.18 0.00 0.00 61.69 58.81 2wvy s THR 49 Cb 0.00 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 2wvy s THR 49 CO 0.00 0.00 -0.07 -0.72 -0.54 0.00 0.00 174.62 173.29 2wvy s TYR 50 N -2.84 0.81 -1.32 3.99 -0.85 -1.26 -4.63 117.35 111.25 2wvy s TYR 50 Ca 0.20 -0.82 -0.16 0.00 -0.52 0.00 0.00 57.07 55.77 2wvy s TYR 50 Cb -0.01 -0.48 0.09 0.00 0.38 0.00 0.00 41.96 41.94 2wvy s TYR 50 CO 0.12 -0.15 1.81 -0.35 -1.52 0.00 0.00 175.55 175.47 2wvy n PRO 51 N 0.34 3.18 -1.73 -3.49 -0.04 -1.25 -4.91 135.00 127.10 2wvy n PRO 51 Ca -0.15 -3.24 -0.42 0.00 -0.04 0.00 0.00 63.50 59.65 2wvy n PRO 51 Cb 0.59 -3.33 -0.03 0.00 -0.04 0.00 0.00 33.50 30.69 2wvy n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wvy s ALA 52 N 3.26 3.85 -0.26 0.55 0.00 -1.26 -4.75 121.76 123.16 2wvy s ALA 52 Ca 0.49 1.51 -0.16 0.00 0.00 0.00 0.00 51.96 53.81 2wvy s ALA 52 Cb 0.06 -3.73 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 2wvy s ALA 52 CO 0.02 -1.06 0.43 0.08 0.00 0.00 0.00 175.76 175.23 2wvy s VAL 53 N 1.92 5.14 0.26 0.00 1.01 0.14 -4.55 120.40 124.32 2wvy s VAL 53 Ca 0.77 0.70 -0.20 0.00 0.00 0.00 0.00 61.98 63.26 2wvy s VAL 53 Cb -0.48 -3.75 0.06 0.00 0.00 0.00 0.00 36.38 32.21 2wvy s VAL 53 CO 0.34 0.15 0.91 0.00 0.00 0.00 0.00 175.10 176.49 2wvy s ALA 54 N 2.03 -1.26 0.29 5.51 0.00 -0.86 -1.55 121.76 125.92 2wvy s ALA 54 Ca 0.18 -0.41 0.11 0.00 0.00 0.00 0.00 51.96 51.83 2wvy s ALA 54 Cb -0.16 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.63 2wvy s ALA 54 CO 0.09 -1.03 -0.09 0.14 0.00 0.00 0.00 175.76 174.87 2wvy s VAL 55 N -2.56 2.83 0.28 0.00 -7.23 -1.26 -4.60 120.40 107.85 2wvy s VAL 55 Ca 0.17 -2.16 -0.30 0.00 -1.81 0.00 0.00 61.98 57.88 2wvy s VAL 55 Cb -0.04 -2.59 -0.13 0.00 0.56 0.00 0.00 36.38 34.19 2wvy s VAL 55 CO 0.07 -0.35 1.30 -2.65 -0.31 0.00 0.00 175.10 173.16 2wvy n PRO 56 N -0.78 1.93 -1.71 4.82 -0.02 -1.26 -1.09 135.00 136.90 2wvy n PRO 56 Ca -0.05 0.68 -0.10 0.00 -2.02 0.00 0.00 63.50 62.00 2wvy n PRO 56 Cb 0.60 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 2wvy n PRO 56 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2wvy n TRP 57 N 1.11 -0.86 -1.77 6.00 8.01 -0.04 -4.91 117.44 124.97 2wvy n TRP 57 Ca 0.09 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.88 2wvy n TRP 57 Cb 0.33 -2.32 0.01 0.00 -2.01 0.00 0.00 31.31 27.32 2wvy n TRP 57 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2wvy s GLY 58 N -1.93 2.93 0.27 6.99 0.00 -0.25 -0.34 107.32 114.99 2wvy s GLY 58 Ca 0.00 1.54 -0.03 0.00 0.00 0.00 0.00 44.72 46.23 2wvy s GLY 58 CO 0.00 2.19 1.86 1.98 0.00 0.00 0.00 173.10 179.13 2wvy h MET 59 N 2.60 1.02 -5.46 2.90 4.05 -1.52 -3.41 114.93 115.12 2wvy h MET 59 Ca -0.51 -0.15 -0.67 0.00 -0.28 0.00 0.00 59.70 58.09 2wvy h MET 59 Cb 1.26 -0.19 -0.33 0.00 -0.80 0.00 0.00 31.60 31.54 2wvy h MET 59 CO 0.62 0.80 -0.88 -0.80 0.23 0.00 0.00 176.91 176.89 2wvy s ASN 60 N -6.42 2.96 0.28 1.39 0.02 -0.56 -4.91 114.94 107.70 2wvy s ASN 60 Ca -0.11 -0.52 0.07 0.00 -1.02 0.00 0.00 52.86 51.28 2wvy s ASN 60 Cb 0.16 -1.20 -0.03 0.00 0.02 0.00 0.00 41.25 40.20 2wvy s ASN 60 CO 0.81 0.17 0.21 -0.36 0.02 0.00 0.00 177.10 177.96 2wvy s PHE 61 N 0.22 3.00 0.01 2.20 0.08 -0.85 -4.68 117.98 117.97 2wvy s PHE 61 Ca -0.14 -0.19 0.05 0.00 0.12 0.00 0.00 56.93 56.76 2wvy s PHE 61 Cb -0.17 -1.53 -0.02 0.00 -0.57 0.00 0.00 43.02 40.74 2wvy s PHE 61 CO 0.07 0.41 -0.14 -1.58 -0.10 0.00 0.00 175.22 173.88 2wvy s TRP 62 N -2.22 1.23 -0.17 0.36 0.52 -0.59 0.12 118.94 118.20 2wvy s TRP 62 Ca 0.36 -0.29 -0.22 0.00 0.02 0.00 0.00 56.10 55.97 2wvy s TRP 62 Cb -0.07 -0.76 0.06 0.00 -1.15 0.00 0.00 33.47 31.55 2wvy s TRP 62 CO 0.25 0.01 0.58 0.45 0.02 0.00 0.00 176.95 178.26 2wvy s SER 63 N -0.71 -0.58 0.64 2.95 0.15 -0.15 -0.68 113.70 115.31 2wvy s SER 63 Ca 0.04 0.99 -0.18 0.00 0.70 0.00 0.00 55.95 57.49 2wvy s SER 63 Cb -0.06 0.99 -0.02 0.00 -1.71 0.00 0.00 66.02 65.21 2wvy s SER 63 CO 0.00 -0.31 1.22 -0.81 1.20 0.00 0.00 173.24 174.54 2wvy n PRO 64 N 2.24 1.08 -4.12 5.44 -0.04 -1.26 -0.38 135.00 137.96 2wvy n PRO 64 Ca -0.16 0.42 -0.29 0.00 -0.04 0.00 0.00 63.50 63.43 2wvy n PRO 64 Cb 0.56 -2.45 -0.17 0.00 -0.04 0.00 0.00 33.50 31.40 2wvy n PRO 64 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2wvy s GLN 65 N -3.22 2.22 -0.10 0.54 0.74 0.24 -4.56 119.66 115.52 2wvy s GLN 65 Ca 0.81 -0.54 0.13 0.00 0.05 0.00 0.00 55.36 55.82 2wvy s GLN 65 Cb -0.39 -2.01 -0.19 0.00 1.10 0.00 0.00 33.01 31.52 2wvy s GLN 65 CO 0.42 -0.19 0.14 0.25 -0.55 0.00 0.00 175.29 175.35 2wvy n THR 66 N 4.64 0.65 -1.61 -0.34 -2.24 0.11 -0.54 114.28 114.95 2wvy n THR 66 Ca -0.17 -0.51 -0.29 0.00 -2.27 0.00 0.00 64.05 60.81 2wvy n THR 66 Cb 0.50 -0.38 0.13 0.00 -2.10 0.00 0.00 70.33 68.48 2wvy n THR 66 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wvy s GLY 67 N -4.40 1.58 0.66 3.38 0.00 0.34 -4.71 107.32 104.17 2wvy s GLY 67 Ca -0.06 -0.57 -0.14 0.00 0.00 0.00 0.00 44.72 43.94 2wvy s GLY 67 CO 0.59 -0.02 1.09 -0.54 0.00 0.00 0.00 173.10 174.22 2wvy s GLU 68 N -5.35 2.87 0.18 2.90 2.02 -1.26 -4.88 118.70 115.17 2wvy s GLU 68 Ca 0.64 1.29 -0.33 0.00 0.02 0.00 0.00 54.97 56.60 2wvy s GLU 68 Cb -0.14 -1.97 -0.15 0.00 0.10 0.00 0.00 34.13 31.97 2wvy s GLU 68 CO 0.53 -1.18 1.22 0.09 0.02 0.00 0.00 175.26 175.94 2wvy n ASN 69 N -2.49 1.62 0.00 -0.19 4.13 -1.26 -2.17 115.26 114.90 2wvy n ASN 69 Ca 0.10 1.14 0.00 0.00 1.68 0.00 0.00 54.58 57.50 2wvy n ASN 69 Cb 0.52 -1.25 0.00 0.00 -1.54 0.00 0.00 39.78 37.51 2wvy n ASN 69 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wvy n GLY 70 N 2.08 3.39 3.72 7.41 0.00 -1.26 -5.03 105.19 115.50 2wvy n GLY 70 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2wvy n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wvy s SER 71 N -0.97 7.14 0.61 1.61 0.15 -0.92 -4.93 113.70 116.38 2wvy s SER 71 Ca 0.00 1.37 0.40 0.00 0.70 0.00 0.00 55.95 58.42 2wvy s SER 71 Cb 0.00 -2.46 1.96 0.00 -1.71 0.00 0.00 66.02 63.80 2wvy s SER 71 CO 0.00 -0.11 2.19 1.23 1.20 0.00 0.00 173.24 177.75 2wvy h GLY 72 N 6.45 0.00 -7.08 9.45 0.00 -1.89 -3.33 103.07 106.67 2wvy h GLY 72 Ca -0.42 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.18 2wvy h GLY 72 CO 0.74 0.00 1.96 0.79 0.00 0.00 0.00 176.54 180.03 2wvy n TRP 73 N -3.06 4.05 -0.08 5.60 8.01 -1.26 -4.44 117.44 126.26 2wvy n TRP 73 Ca -0.01 -3.03 -0.12 0.00 -1.31 0.00 0.00 57.50 53.03 2wvy n TRP 73 Cb 0.17 -2.23 -0.05 0.00 -2.01 0.00 0.00 31.31 27.19 2wvy n TRP 73 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.69 178.66 2wvy h MET 74 N 6.58 0.41 -4.01 -0.99 4.05 -1.92 -3.29 114.93 115.76 2wvy h MET 74 Ca 0.40 -0.14 -0.40 0.00 -0.28 0.00 0.00 59.70 59.28 2wvy h MET 74 Cb 0.76 -0.03 -0.34 0.00 -0.80 0.00 0.00 31.60 31.19 2wvy h MET 74 CO 1.50 0.61 -0.77 -0.47 0.23 0.00 0.00 176.91 178.01 2wvy s TYR 75 N -4.90 0.72 -0.05 1.39 5.04 -1.26 0.04 117.35 118.32 2wvy s TYR 75 Ca -0.14 -0.19 0.02 0.00 -2.44 0.00 0.00 57.07 54.32 2wvy s TYR 75 Cb 0.07 -0.65 0.02 0.00 0.35 0.00 0.00 41.96 41.75 2wvy s TYR 75 CO 0.74 -0.19 -0.08 0.99 -1.34 0.00 0.00 175.55 175.68 2wvy s THR 76 N 0.92 0.78 0.40 4.34 2.01 -1.26 -4.76 115.64 118.06 2wvy s THR 76 Ca -0.11 -0.27 0.07 0.00 0.31 0.00 0.00 61.69 61.69 2wvy s THR 76 Cb -0.14 -0.76 0.27 0.00 0.01 0.00 0.00 72.50 71.88 2wvy s THR 76 CO 0.00 0.28 2.05 0.22 -0.69 0.00 0.00 174.62 176.48 2wvy h TYR 77 N 7.09 0.56 -0.00 4.92 3.20 -1.73 -1.54 116.97 129.47 2wvy h TYR 77 Ca -0.35 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.53 2wvy h TYR 77 Cb 1.17 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.25 2wvy h TYR 77 CO 0.49 0.35 -0.02 0.25 -1.64 0.00 0.00 178.16 177.59 2wvy n THR 78 N -4.47 0.00 -2.70 1.81 -2.24 -1.26 -4.81 114.28 100.61 2wvy n THR 78 Ca 0.04 -0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.44 2wvy n THR 78 Cb 0.07 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 67.80 2wvy n THR 78 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wvy s ASP 79 N -2.57 7.21 0.00 3.42 1.01 -0.58 -4.96 116.67 120.21 2wvy s ASP 79 Ca 0.28 1.92 0.00 0.00 0.71 0.00 0.00 52.55 55.47 2wvy s ASP 79 Cb 0.20 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.55 2wvy s ASP 79 CO 0.47 -0.16 0.86 -1.54 0.21 0.00 0.00 175.17 175.01 2wvy n SER 80 N 0.51 1.68 -3.94 0.27 3.41 -1.26 -4.94 113.62 109.35 2wvy n SER 80 Ca 0.02 -1.74 -0.25 0.00 -0.26 0.00 0.00 58.87 56.64 2wvy n SER 80 Cb 0.49 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.28 2wvy n SER 80 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2wvy s LEU 81 N -0.74 1.34 -0.11 1.04 1.43 -1.26 -2.03 118.68 118.35 2wvy s LEU 81 Ca 0.00 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 2wvy s LEU 81 Cb 0.00 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 2wvy s LEU 81 CO 0.00 -0.06 0.13 -0.32 0.23 0.00 0.00 176.35 176.33 2wvy s MET 82 N 1.27 3.39 -0.03 1.70 -2.45 0.44 -4.46 119.30 119.15 2wvy s MET 82 Ca -0.04 -0.18 0.12 0.00 -1.25 0.00 0.00 55.69 54.34 2wvy s MET 82 Cb -0.14 -3.14 -0.18 0.00 1.25 0.00 0.00 34.83 32.62 2wvy s MET 82 CO -0.03 0.76 0.23 0.54 1.05 0.00 0.00 175.02 177.57 2wvy n ARG 83 N 1.90 0.68 0.00 4.11 1.74 0.30 -0.62 116.66 124.77 2wvy n ARG 83 Ca -0.19 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 2wvy n ARG 83 Cb 0.55 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 2wvy n ARG 83 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wvy n GLY 84 N 1.90 0.17 3.22 -0.13 0.00 -1.20 -4.83 105.19 104.32 2wvy n GLY 84 Ca -0.05 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 2wvy n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wvy s PHE 85 N -2.00 3.18 0.02 1.61 0.08 0.36 -0.59 117.98 120.64 2wvy s PHE 85 Ca 0.00 -1.59 -0.19 0.00 0.12 0.00 0.00 56.93 55.27 2wvy s PHE 85 Cb 0.00 -2.13 -0.06 0.00 -0.57 0.00 0.00 43.02 40.26 2wvy s PHE 85 CO 0.00 -0.74 0.55 1.03 -0.10 0.00 0.00 175.22 175.96 2wvy s ARG 86 N 1.33 4.21 -0.28 0.44 1.81 0.49 -1.39 118.95 125.55 2wvy s ARG 86 Ca -0.02 0.67 -0.28 0.00 -1.72 0.00 0.00 55.73 54.37 2wvy s ARG 86 Cb -0.18 -3.29 0.01 0.00 -0.45 0.00 0.00 34.95 31.04 2wvy s ARG 86 CO -0.01 0.52 1.03 -1.14 -0.68 0.00 0.00 175.30 175.02 2wvy s GLN 87 N -0.66 4.13 0.14 3.54 0.74 -0.22 -0.98 119.66 126.36 2wvy s GLN 87 Ca 0.29 1.13 0.04 0.00 0.05 0.00 0.00 55.36 56.87 2wvy s GLN 87 Cb -0.18 -3.70 -0.04 0.00 1.10 0.00 0.00 33.01 30.19 2wvy s GLN 87 CO 0.17 -0.77 -0.10 -0.08 -0.55 0.00 0.00 175.29 173.96 2wvy s THR 88 N 3.40 1.13 0.00 -0.34 -1.32 0.12 -3.44 115.64 115.19 2wvy s THR 88 Ca 0.43 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.91 2wvy s THR 88 Cb -0.13 -1.78 0.00 0.00 -1.51 0.00 0.00 72.50 69.07 2wvy s THR 88 CO 0.11 -0.72 0.33 1.41 -2.21 0.00 0.00 174.62 173.54 2wvy n HIS 89 N -0.09 0.00 -1.79 9.09 8.25 -1.26 -2.00 115.22 127.42 2wvy n HIS 89 Ca -0.11 -0.05 -0.42 0.00 -0.26 0.00 0.00 57.72 56.88 2wvy n HIS 89 Cb 0.60 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.68 2wvy n HIS 89 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2wvy s GLN 90 N -0.09 4.16 -0.04 -0.41 0.74 -1.26 -4.92 119.66 117.83 2wvy s GLN 90 Ca 0.00 2.52 0.13 0.00 0.05 0.00 0.00 55.36 58.06 2wvy s GLN 90 Cb 0.00 -3.38 -0.23 0.00 1.10 0.00 0.00 33.01 30.50 2wvy s GLN 90 CO 0.00 -0.76 0.65 -0.35 -0.55 0.00 0.00 175.29 174.27 2wvy n PRO 91 N 4.92 0.63 -3.61 1.67 -0.04 -1.26 -4.99 135.00 132.32 2wvy n PRO 91 Ca 0.16 0.28 -0.13 0.00 -0.04 0.00 0.00 63.50 63.78 2wvy n PRO 91 Cb 0.38 -1.78 -0.05 0.00 -0.04 0.00 0.00 33.50 32.00 2wvy n PRO 91 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2wvy s SER 92 N -6.04 -0.35 0.38 3.54 1.04 -1.26 -5.05 113.70 105.97 2wvy s SER 92 Ca -0.05 -0.02 0.07 0.00 0.48 0.00 0.00 55.95 56.44 2wvy s SER 92 Cb 0.08 0.47 0.81 0.00 0.10 0.00 0.00 66.02 67.48 2wvy s SER 92 CO 0.82 -0.75 1.99 -0.65 0.98 0.00 0.00 173.24 175.64 2wvy h PRO 93 N 2.70 0.64 -0.22 4.02 0.11 -1.79 -0.61 132.00 136.85 2wvy h PRO 93 Ca -0.32 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.70 2wvy h PRO 93 Cb 1.23 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2wvy h PRO 93 CO 0.43 0.42 -0.06 2.35 -0.21 0.00 0.00 178.00 180.93 2wvy h TRP 94 N 0.66 0.49 -0.38 0.65 7.01 -1.96 -3.17 115.95 119.24 2wvy h TRP 94 Ca 0.26 -0.11 -0.13 0.00 2.11 0.00 0.00 58.89 61.02 2wvy h TRP 94 Cb 0.19 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 2wvy h TRP 94 CO -0.00 0.68 -0.27 0.82 -2.79 0.00 0.00 178.44 176.88 2wvy h ILE 95 N 0.16 1.28 -0.47 2.65 1.08 -1.92 -3.49 117.51 116.79 2wvy h ILE 95 Ca 0.06 -1.41 0.00 0.00 -0.39 0.00 0.00 64.86 63.12 2wvy h ILE 95 Cb 0.52 1.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.55 2wvy h ILE 95 CO 0.02 0.47 0.00 -3.20 -0.69 0.00 0.00 178.15 174.75 2wvy n ASN 96 N -4.09 -1.42 -4.76 1.72 2.85 -0.25 -4.82 115.26 104.48 2wvy n ASN 96 Ca -0.00 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.22 2wvy n ASN 96 Cb 0.46 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.42 2wvy n ASN 96 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2wvy s ASP 97 N -4.00 4.49 0.09 1.20 -1.08 -1.26 -4.29 116.67 111.82 2wvy s ASP 97 Ca 0.00 -1.07 -0.19 0.00 -0.52 0.00 0.00 52.55 50.76 2wvy s ASP 97 Cb 0.00 -0.40 0.05 0.00 -1.46 0.00 0.00 42.92 41.10 2wvy s ASP 97 CO 0.00 -0.60 0.47 -0.72 0.52 0.00 0.00 175.17 174.84 2wvy s TYR 98 N -2.61 -0.33 -1.36 -5.34 -0.85 -1.26 -3.23 117.35 102.37 2wvy s TYR 98 Ca 0.40 0.19 -0.04 0.00 -0.52 0.00 0.00 57.07 57.10 2wvy s TYR 98 Cb 0.03 0.32 0.02 0.00 0.38 0.00 0.00 41.96 42.71 2wvy s TYR 98 CO 0.22 -0.68 0.81 0.41 -1.52 0.00 0.00 175.55 174.79 2wvy n GLY 99 N 0.06 -0.36 3.38 5.49 0.00 0.05 -4.43 105.19 109.38 2wvy n GLY 99 Ca -0.17 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2wvy n GLY 99 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wvy s THR 100 N -3.54 2.39 0.23 2.61 -1.32 -1.26 -4.82 115.64 109.93 2wvy s THR 100 Ca 0.21 -1.17 -0.06 0.00 -1.21 0.00 0.00 61.69 59.46 2wvy s THR 100 Cb -0.10 -1.92 -0.02 0.00 -1.51 0.00 0.00 72.50 68.94 2wvy s THR 100 CO 0.81 0.45 0.30 0.72 -2.21 0.00 0.00 174.62 174.69 2wvy s PHE 101 N -0.76 0.85 0.09 9.09 -0.12 -1.22 -4.49 117.98 121.41 2wvy s PHE 101 Ca 0.12 -1.12 -0.01 0.00 -0.05 0.00 0.00 56.93 55.87 2wvy s PHE 101 Cb -0.10 -0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.02 2wvy s PHE 101 CO 0.02 -0.82 0.02 -1.54 -0.05 0.00 0.00 175.22 172.85 2wvy s SER 102 N -3.11 0.39 -0.05 1.98 1.04 0.31 -1.06 113.70 113.21 2wvy s SER 102 Ca 0.32 -1.09 0.04 0.00 0.48 0.00 0.00 55.95 55.70 2wvy s SER 102 Cb 0.03 0.25 -0.00 0.00 0.10 0.00 0.00 66.02 66.40 2wvy s SER 102 CO 0.12 -0.67 -0.17 -0.63 0.98 0.00 0.00 173.24 172.86 2wvy s ILE 103 N -3.98 1.45 -0.16 -1.02 1.01 -0.49 -1.07 121.20 116.94 2wvy s ILE 103 Ca 0.15 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 2wvy s ILE 103 Cb 0.08 -1.25 0.06 0.00 0.01 0.00 0.00 42.46 41.36 2wvy s ILE 103 CO -0.04 0.42 0.08 -0.32 0.00 0.00 0.00 174.94 175.08 2wvy s MET 104 N 0.06 0.09 0.32 2.79 1.75 0.63 -0.49 119.30 124.45 2wvy s MET 104 Ca -0.04 -0.05 -0.28 0.00 -1.25 0.00 0.00 55.69 54.06 2wvy s MET 104 Cb -0.12 -1.69 -0.10 0.00 2.84 0.00 0.00 34.83 35.76 2wvy s MET 104 CO 0.02 -0.63 1.22 -2.14 -0.65 0.00 0.00 175.02 172.85 2wvy s PRO 105 N 2.12 4.41 0.00 4.11 0.02 -1.26 -0.06 135.00 144.35 2wvy s PRO 105 Ca 0.02 2.03 0.02 0.00 0.02 0.00 0.00 61.00 63.10 2wvy s PRO 105 Cb -0.16 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.30 2wvy s PRO 105 CO -0.08 -0.07 -0.07 -0.51 -0.33 0.00 0.00 177.00 175.94 2wvy s LEU 106 N -1.77 2.04 -0.19 -5.54 1.43 0.20 -4.93 118.68 109.92 2wvy s LEU 106 Ca 0.48 -0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 53.36 2wvy s LEU 106 Cb -0.36 -0.32 -0.03 0.00 0.03 0.00 0.00 46.19 45.51 2wvy s LEU 106 CO 0.47 0.05 0.01 0.00 0.23 0.00 0.00 176.35 177.11 2wvy s ALA 107 N -0.29 3.12 0.00 4.21 0.00 -1.26 -1.38 121.76 126.15 2wvy s ALA 107 Ca 0.01 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2wvy s ALA 107 Cb -0.03 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.29 2wvy s ALA 107 CO -0.00 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.11 2wvy n GLY 108 N 4.05 1.18 3.73 0.00 0.00 -0.27 -4.94 105.19 108.94 2wvy n GLY 108 Ca -0.17 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 2wvy n GLY 108 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wvy s GLU 109 N 0.00 4.36 0.06 1.61 -6.30 -1.26 -4.60 118.70 112.57 2wvy s GLU 109 Ca 0.00 2.05 -0.30 0.00 -2.50 0.00 0.00 54.97 54.22 2wvy s GLU 109 Cb 0.00 -3.22 -0.05 0.00 0.00 0.00 0.00 34.13 30.86 2wvy s GLU 109 CO 0.00 -0.33 1.02 -1.17 0.02 0.00 0.00 175.26 174.79 2wvy s LEU 110 N 0.47 4.43 -0.06 2.70 2.96 -1.26 -5.03 118.68 122.88 2wvy s LEU 110 Ca 0.60 1.80 0.01 0.00 -0.22 0.00 0.00 54.13 56.32 2wvy s LEU 110 Cb -0.36 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 42.77 2wvy s LEU 110 CO 0.34 -0.22 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.54 2wvy s LYS 111 N 0.53 1.19 -0.18 1.98 -0.14 -1.26 -5.06 119.74 116.79 2wvy s LYS 111 Ca 0.51 -0.20 -0.15 0.00 -1.36 0.00 0.00 55.97 54.76 2wvy s LYS 111 Cb -0.24 -1.15 -0.07 0.00 -1.68 0.00 0.00 37.83 34.70 2wvy s LYS 111 CO 0.30 -0.10 -0.27 -1.33 -0.76 0.00 0.00 175.35 173.19 2wvy n MET 112 N 4.22 0.52 -2.15 1.68 2.81 -1.26 -4.73 117.12 118.21 2wvy n MET 112 Ca -0.20 0.33 -0.39 0.00 -1.81 0.00 0.00 57.70 55.63 2wvy n MET 112 Cb 0.51 -1.53 -0.01 0.00 -0.71 0.00 0.00 33.22 31.47 2wvy n MET 112 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2wvy s SER 113 N -6.10 6.44 0.54 7.83 0.15 -1.26 -4.82 113.70 116.48 2wvy s SER 113 Ca -0.26 2.54 0.25 0.00 0.70 0.00 0.00 55.95 59.18 2wvy s SER 113 Cb 0.05 -2.63 1.43 0.00 -1.71 0.00 0.00 66.02 63.16 2wvy s SER 113 CO 0.38 -0.75 2.04 1.12 1.20 0.00 0.00 173.24 177.23 2wvy h HIS 114 N 2.74 0.00 0.00 3.44 -0.00 -1.93 0.15 115.15 119.55 2wvy h HIS 114 Ca -0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 59.86 2wvy h HIS 114 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.65 2wvy h HIS 114 CO 0.54 0.00 -0.09 0.87 -0.00 0.00 0.00 177.93 179.25 2wvy h LYS 115 N 0.00 0.00 0.00 5.12 1.79 -2.00 -3.26 116.57 118.22 2wvy h LYS 115 Ca 0.18 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.60 2wvy h LYS 115 Cb 0.76 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 2wvy h LYS 115 CO -0.00 0.09 -1.82 0.39 -1.08 0.00 0.00 179.45 177.03 2wvy n GLU 116 N -4.42 0.65 -2.58 3.15 -0.58 0.40 -4.82 120.64 112.45 2wvy n GLU 116 Ca -0.03 -0.13 -0.41 0.00 -0.42 0.00 0.00 57.16 56.17 2wvy n GLU 116 Cb 0.17 -1.40 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 2wvy n GLU 116 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2wvy s ARG 117 N -3.06 3.64 -0.20 3.49 0.52 -0.40 -4.92 118.95 118.03 2wvy s ARG 117 Ca -0.06 -1.26 0.01 0.00 -0.52 0.00 0.00 55.73 53.89 2wvy s ARG 117 Cb 0.10 -5.36 0.04 0.00 0.52 0.00 0.00 34.95 30.25 2wvy s ARG 117 CO 0.70 -2.20 -0.09 -0.51 0.02 0.00 0.00 175.30 173.22 2wvy s LEU 118 N 4.78 2.19 -0.20 2.53 2.01 -1.26 -3.90 118.68 124.84 2wvy s LEU 118 Ca 0.46 -0.87 0.00 0.00 0.01 0.00 0.00 54.13 53.74 2wvy s LEU 118 Cb 0.00 -1.18 0.02 0.00 0.01 0.00 0.00 46.19 45.04 2wvy s LEU 118 CO -0.08 -0.16 -0.16 -0.69 1.01 0.00 0.00 176.35 176.28 2wvy s VAL 119 N 1.43 2.36 0.29 -1.59 1.01 0.21 -4.84 120.40 119.27 2wvy s VAL 119 Ca -0.01 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 2wvy s VAL 119 Cb -0.16 -2.04 -0.11 0.00 0.00 0.00 0.00 36.38 34.07 2wvy s VAL 119 CO -0.08 0.47 1.50 -2.84 0.00 0.00 0.00 175.10 174.15 2wvy s PRO 120 N 1.32 4.19 0.18 2.72 0.02 -1.26 -0.42 135.00 141.74 2wvy s PRO 120 Ca 0.04 2.45 -0.10 0.00 0.02 0.00 0.00 61.00 63.42 2wvy s PRO 120 Cb -0.14 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.33 2wvy s PRO 120 CO -0.10 -0.51 0.31 -0.59 -0.33 0.00 0.00 177.00 175.78 2wvy s PHE 121 N -0.25 0.39 0.03 6.54 -0.12 -0.86 -1.91 117.98 121.80 2wvy s PHE 121 Ca 0.59 -0.75 0.08 0.00 -0.05 0.00 0.00 56.93 56.81 2wvy s PHE 121 Cb -0.45 -0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 41.89 2wvy s PHE 121 CO 0.49 -0.75 -0.23 0.45 -0.05 0.00 0.00 175.22 175.12 2wvy s SER 122 N -2.97 2.78 0.63 1.98 0.15 -1.26 -4.75 113.70 110.26 2wvy s SER 122 Ca 0.18 -0.52 0.38 0.00 0.70 0.00 0.00 55.95 56.69 2wvy s SER 122 Cb 0.03 -0.26 2.15 0.00 -1.71 0.00 0.00 66.02 66.23 2wvy s SER 122 CO 0.01 0.23 2.32 0.45 1.20 0.00 0.00 173.24 177.45 2wvy h HIS 123 N 5.03 0.00 0.00 3.44 3.86 -1.96 -1.26 115.15 124.26 2wvy h HIS 123 Ca -0.43 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.77 2wvy h HIS 123 Cb 1.15 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.61 2wvy h HIS 123 CO 0.46 0.00 -0.03 1.96 0.86 0.00 0.00 177.93 181.19 2wvy h GLN 124 N 0.00 0.00 -0.33 2.45 4.20 -1.98 -2.17 115.11 117.28 2wvy h GLN 124 Ca -0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 2wvy h GLN 124 Cb 0.01 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.65 2wvy h GLN 124 CO 0.00 0.03 -0.30 1.04 -0.67 0.00 0.00 178.83 178.93 2wvy n GLN 125 N -3.17 2.07 -5.15 1.46 1.13 -0.48 -4.98 117.38 108.26 2wvy n GLN 125 Ca -0.01 -3.40 -0.30 0.00 -1.94 0.00 0.00 57.00 51.36 2wvy n GLN 125 Cb 0.25 -1.85 -0.16 0.00 0.11 0.00 0.00 30.24 28.58 2wvy n GLN 125 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2wvy s GLU 126 N -3.33 2.24 -0.29 -1.09 2.12 -0.82 -1.32 118.70 116.21 2wvy s GLU 126 Ca 0.44 -0.82 -0.01 0.00 0.36 0.00 0.00 54.97 54.94 2wvy s GLU 126 Cb 0.40 -1.95 0.09 0.00 0.26 0.00 0.00 34.13 32.93 2wvy s GLU 126 CO -0.02 0.38 0.08 0.21 -0.54 0.00 0.00 175.26 175.37 2wvy s LYS 127 N -0.20 0.70 -0.26 4.30 2.47 0.39 -4.98 119.74 122.16 2wvy s LYS 127 Ca -0.01 -0.92 -0.10 0.00 -1.56 0.00 0.00 55.97 53.37 2wvy s LYS 127 Cb -0.12 -1.97 -0.05 0.00 -1.46 0.00 0.00 37.83 34.23 2wvy s LYS 127 CO 0.02 -0.92 0.16 0.00 0.16 0.00 0.00 175.35 174.78 2wvy s ALA 128 N 1.68 3.51 0.24 3.13 0.00 -1.26 -1.59 121.76 127.47 2wvy s ALA 128 Ca 0.07 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.04 2wvy s ALA 128 Cb -0.17 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 2wvy s ALA 128 CO -0.23 -0.38 0.09 0.95 0.00 0.00 0.00 175.76 176.20 2wvy s THR 129 N 1.42 0.48 0.22 0.00 -4.23 -0.35 -4.48 115.64 108.69 2wvy s THR 129 Ca 0.07 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.78 2wvy s THR 129 Cb -0.15 -2.57 0.17 0.00 1.34 0.00 0.00 72.50 71.29 2wvy s THR 129 CO 0.07 -0.04 1.80 -0.65 -0.54 0.00 0.00 174.62 175.26 2wvy h PRO 130 N 2.45 0.00 -0.02 3.99 0.11 -1.87 -3.15 132.00 133.50 2wvy h PRO 130 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2wvy h PRO 130 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2wvy h PRO 130 CO 0.60 0.32 -0.20 2.48 -0.21 0.00 0.00 178.00 180.99 2wvy n TYR 131 N -3.59 0.00 -3.63 0.65 0.18 -1.26 -2.04 117.16 107.47 2wvy n TYR 131 Ca -0.01 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.76 2wvy n TYR 131 Cb 0.45 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.35 2wvy n TYR 131 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 2wvy s ASN 132 N -1.91 -0.43 -0.17 9.48 2.47 -1.19 -4.36 114.94 118.83 2wvy s ASN 132 Ca 0.19 0.68 -0.01 0.00 0.42 0.00 0.00 52.86 54.15 2wvy s ASN 132 Cb 0.16 1.19 -0.01 0.00 -1.45 0.00 0.00 41.25 41.15 2wvy s ASN 132 CO 0.36 -0.11 -0.12 -0.47 -3.72 0.00 0.00 177.10 173.05 2wvy s TYR 133 N 1.34 2.84 -0.01 0.43 5.04 -0.32 -1.22 117.35 125.45 2wvy s TYR 133 Ca -0.09 -0.95 0.05 0.00 -2.44 0.00 0.00 57.07 53.65 2wvy s TYR 133 Cb -0.03 -1.94 -0.01 0.00 0.35 0.00 0.00 41.96 40.32 2wvy s TYR 133 CO -0.14 -0.44 -0.17 0.45 -1.34 0.00 0.00 175.55 173.91 2wvy s SER 134 N 0.90 1.95 -0.09 4.32 0.15 -0.62 -1.11 113.70 119.21 2wvy s SER 134 Ca -0.03 -0.30 -0.11 0.00 0.70 0.00 0.00 55.95 56.21 2wvy s SER 134 Cb -0.15 -0.22 0.03 0.00 -1.71 0.00 0.00 66.02 63.97 2wvy s SER 134 CO -0.01 0.20 0.29 0.54 1.20 0.00 0.00 173.24 175.47 2wvy s VAL 135 N -0.40 0.02 -0.20 4.45 0.11 -0.36 -0.47 120.40 123.56 2wvy s VAL 135 Ca 0.06 -0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 58.96 2wvy s VAL 135 Cb -0.06 -0.46 -0.00 0.00 -1.53 0.00 0.00 36.38 34.33 2wvy s VAL 135 CO -0.01 -0.07 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.71 2wvy s THR 136 N -0.22 2.99 0.76 5.04 2.01 -0.43 -1.03 115.64 124.76 2wvy s THR 136 Ca -0.03 -0.63 -0.11 0.00 0.31 0.00 0.00 61.69 61.22 2wvy s THR 136 Cb -0.03 -2.33 0.05 0.00 0.01 0.00 0.00 72.50 70.20 2wvy s THR 136 CO 0.01 0.46 1.08 -0.36 -0.69 0.00 0.00 174.62 175.13 2wvy s PHE 137 N 1.31 2.95 0.56 4.92 0.08 0.17 -4.49 117.98 123.48 2wvy s PHE 137 Ca 0.04 1.24 0.27 0.00 0.12 0.00 0.00 56.93 58.59 2wvy s PHE 137 Cb -0.14 -3.03 1.68 0.00 -0.57 0.00 0.00 43.02 40.95 2wvy s PHE 137 CO -0.05 -1.56 2.22 -0.91 -0.10 0.00 0.00 175.22 174.82 2wvy h ASN 138 N -0.94 0.00 -0.06 1.36 2.35 -1.71 0.39 115.58 116.97 2wvy h ASN 138 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2wvy h ASN 138 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 2wvy h ASN 138 CO 0.59 0.02 0.00 -0.46 -1.65 0.00 0.00 177.43 175.92 2wvy n ASN 139 N -3.96 0.59 0.00 5.81 0.23 -1.26 -4.90 115.26 111.77 2wvy n ASN 139 Ca -0.03 -1.51 0.00 0.00 -0.53 0.00 0.00 54.58 52.51 2wvy n ASN 139 Cb 0.10 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 2wvy n ASN 139 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wvy n GLY 140 N 0.92 0.78 3.70 4.83 0.00 0.13 -4.78 105.19 110.77 2wvy n GLY 140 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2wvy n GLY 140 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wvy s LEU 141 N 0.00 4.35 -0.07 0.99 0.20 -1.26 -4.56 118.68 118.33 2wvy s LEU 141 Ca 0.00 2.20 0.02 0.00 0.69 0.00 0.00 54.13 57.04 2wvy s LEU 141 Cb 0.00 -3.57 -0.02 0.00 -0.43 0.00 0.00 46.19 42.16 2wvy s LEU 141 CO 0.00 -0.65 -0.12 -1.58 -0.29 0.00 0.00 176.35 173.71 2wvy s GLN 142 N 1.61 2.79 0.01 1.98 -0.44 -0.67 -0.65 119.66 124.28 2wvy s GLN 142 Ca 0.63 -0.65 0.01 0.00 -2.50 0.00 0.00 55.36 52.85 2wvy s GLN 142 Cb -0.34 -2.50 -0.01 0.00 -1.64 0.00 0.00 33.01 28.53 2wvy s GLN 142 CO 0.29 0.53 -0.03 -0.08 0.50 0.00 0.00 175.29 176.50 2wvy s THR 143 N -0.48 0.20 -0.00 -0.34 -1.32 -0.20 -0.65 115.64 112.84 2wvy s THR 143 Ca 0.06 -0.42 0.02 0.00 -1.21 0.00 0.00 61.69 60.14 2wvy s THR 143 Cb -0.12 -0.23 -0.00 0.00 -1.51 0.00 0.00 72.50 70.64 2wvy s THR 143 CO 0.02 -0.15 -0.06 -0.94 -2.21 0.00 0.00 174.62 171.28 2wvy s SER 144 N -0.61 0.65 0.02 8.08 1.04 -0.40 -1.22 113.70 121.27 2wvy s SER 144 Ca -0.05 -0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.30 2wvy s SER 144 Cb -0.04 -0.07 -0.02 0.00 0.10 0.00 0.00 66.02 65.99 2wvy s SER 144 CO -0.00 0.07 -0.07 -1.48 0.98 0.00 0.00 173.24 172.73 2wvy s LEU 145 N -0.14 2.14 0.04 2.42 2.34 -0.27 -0.59 118.68 124.63 2wvy s LEU 145 Ca 0.02 -0.35 0.03 0.00 0.06 0.00 0.00 54.13 53.89 2wvy s LEU 145 Cb -0.02 -0.23 -0.02 0.00 -0.56 0.00 0.00 46.19 45.35 2wvy s LEU 145 CO -0.00 -0.07 -0.09 -0.44 -1.06 0.00 0.00 176.35 174.68 2wvy s SER 146 N -0.92 1.06 0.12 1.48 0.01 -0.83 -1.17 113.70 113.45 2wvy s SER 146 Ca -0.04 -0.48 0.08 0.00 1.31 0.00 0.00 55.95 56.82 2wvy s SER 146 Cb -0.06 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 2wvy s SER 146 CO 0.00 -0.11 -0.14 0.00 0.41 0.00 0.00 173.24 173.39 2wvy s ALA 147 N -1.11 2.80 0.13 1.44 0.00 -1.26 -1.31 121.76 122.46 2wvy s ALA 147 Ca -0.05 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 50.59 2wvy s ALA 147 Cb -0.09 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.32 2wvy s ALA 147 CO 0.01 0.59 0.16 0.25 0.00 0.00 0.00 175.76 176.77 2wvy n THR 148 N 0.66 0.00 -0.23 0.00 -2.24 0.21 -4.57 114.28 108.11 2wvy n THR 148 Ca -0.14 -0.48 0.02 0.00 -2.27 0.00 0.00 64.05 61.18 2wvy n THR 148 Cb 0.53 -0.72 0.14 0.00 -2.10 0.00 0.00 70.33 68.18 2wvy n THR 148 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wvy h SER 149 N 0.07 0.30 0.00 3.42 0.02 -1.92 -3.32 113.55 112.12 2wvy h SER 149 Ca -0.07 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2wvy h SER 149 Cb 0.30 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2wvy h SER 149 CO 0.10 0.16 0.00 0.54 -1.14 0.00 0.00 176.83 176.49 2wvy n ARG 150 N -4.96 0.52 -4.09 3.45 1.74 -1.26 -1.50 116.66 110.55 2wvy n ARG 150 Ca 0.11 -0.30 -0.20 0.00 -0.77 0.00 0.00 57.85 56.69 2wvy n ARG 150 Cb 0.32 -0.78 -0.07 0.00 -1.02 0.00 0.00 32.46 30.91 2wvy n ARG 150 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wvy n GLY 151 N 0.16 3.13 3.33 -0.13 0.00 -1.25 -2.67 105.19 107.76 2wvy n GLY 151 Ca 0.00 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 2wvy n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wvy s ALA 152 N -3.15 -1.00 -0.06 4.61 0.00 -0.33 -0.62 121.76 121.21 2wvy s ALA 152 Ca 0.30 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.39 2wvy s ALA 152 Cb 0.01 0.57 0.02 0.00 0.00 0.00 0.00 23.12 23.72 2wvy s ALA 152 CO 0.21 -0.58 -0.10 0.08 0.00 0.00 0.00 175.76 175.37 2wvy s VAL 153 N -3.31 0.96 0.15 0.00 1.01 -0.42 -1.27 120.40 117.51 2wvy s VAL 153 Ca -0.00 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.66 2wvy s VAL 153 Cb 0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2wvy s VAL 153 CO -0.08 0.32 0.12 -0.36 0.00 0.00 0.00 175.10 175.10 2wvy s PHE 154 N 0.76 3.15 -0.05 5.22 0.08 0.69 -1.96 117.98 125.88 2wvy s PHE 154 Ca -0.13 -0.00 0.01 0.00 0.12 0.00 0.00 56.93 56.92 2wvy s PHE 154 Cb -0.15 -1.53 0.02 0.00 -0.57 0.00 0.00 43.02 40.79 2wvy s PHE 154 CO 0.02 0.52 -0.04 -2.00 -0.10 0.00 0.00 175.22 173.62 2wvy s GLU 155 N -2.99 0.80 -0.12 0.44 2.12 0.24 -1.80 118.70 117.39 2wvy s GLU 155 Ca 0.31 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.57 2wvy s GLU 155 Cb -0.10 -0.84 0.01 0.00 0.26 0.00 0.00 34.13 33.45 2wvy s GLU 155 CO 0.23 -0.10 -0.19 0.08 -0.54 0.00 0.00 175.26 174.74 2wvy s VAL 156 N 1.01 1.81 -0.36 3.70 1.01 -0.05 -1.28 120.40 126.24 2wvy s VAL 156 Ca -0.10 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 2wvy s VAL 156 Cb -0.14 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.64 2wvy s VAL 156 CO -0.00 0.50 0.21 -0.44 0.00 0.00 0.00 175.10 175.37 2wvy s SER 157 N 0.82 5.77 0.19 3.32 0.01 0.17 -1.25 113.70 122.74 2wvy s SER 157 Ca -0.08 -0.83 -0.25 0.00 1.31 0.00 0.00 55.95 56.10 2wvy s SER 157 Cb -0.16 -2.05 -0.08 0.00 0.21 0.00 0.00 66.02 63.94 2wvy s SER 157 CO -0.00 -0.34 0.79 -0.36 0.41 0.00 0.00 173.24 173.73 2wvy s PHE 158 N 1.60 3.86 0.47 2.43 0.08 -1.26 -1.67 117.98 123.49 2wvy s PHE 158 Ca 0.03 1.62 -0.24 0.00 0.12 0.00 0.00 56.93 58.46 2wvy s PHE 158 Cb -0.19 -2.76 -0.07 0.00 -0.57 0.00 0.00 43.02 39.43 2wvy s PHE 158 CO 0.07 0.47 1.33 -1.25 -0.10 0.00 0.00 175.22 175.74 2wvy s PRO 159 N -1.33 3.59 0.43 0.24 0.04 -1.26 -4.97 135.00 131.74 2wvy s PRO 159 Ca 0.38 2.18 -0.24 0.00 0.04 0.00 0.00 61.00 63.36 2wvy s PRO 159 Cb -0.22 -2.51 -0.08 0.00 0.04 0.00 0.00 34.50 31.73 2wvy s PRO 159 CO 0.26 -0.81 1.18 -1.83 0.04 0.00 0.00 177.00 175.83 2wvy s GLU 160 N -2.58 3.90 -1.29 4.56 1.03 -1.26 -3.52 118.70 119.54 2wvy s GLU 160 Ca 0.64 1.83 0.00 0.00 0.03 0.00 0.00 54.97 57.46 2wvy s GLU 160 Cb -0.39 -2.55 0.00 0.00 -0.80 0.00 0.00 34.13 30.40 2wvy s GLU 160 CO 0.48 -0.45 0.00 0.36 -1.33 0.00 0.00 175.26 174.32 2wvy n LYS 161 N -0.20 -1.06 -4.32 -4.83 0.00 -1.26 -5.00 118.16 101.49 2wvy n LYS 161 Ca 0.06 0.78 -0.23 0.00 -0.00 0.00 0.00 58.31 58.92 2wvy n LYS 161 Cb 0.47 -5.00 -0.13 0.00 -0.00 0.00 0.00 35.03 30.38 2wvy n LYS 161 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2wvy s GLU 162 N -4.17 1.12 0.38 -1.58 0.41 -1.23 -5.08 118.70 108.55 2wvy s GLU 162 Ca 0.00 -1.10 -0.28 0.00 -0.41 0.00 0.00 54.97 53.18 2wvy s GLU 162 Cb 0.00 -1.33 -0.11 0.00 -1.78 0.00 0.00 34.13 30.91 2wvy s GLU 162 CO 0.00 0.31 1.46 -0.25 -0.49 0.00 0.00 175.26 176.29 2wvy n ASP 163 N 1.23 3.63 -4.38 -0.19 8.00 -1.26 -4.75 116.55 118.82 2wvy n ASP 163 Ca -0.19 1.21 -0.35 0.00 0.71 0.00 0.00 54.79 56.16 2wvy n ASP 163 Cb 0.54 -1.61 -0.13 0.00 -0.02 0.00 0.00 41.12 39.90 2wvy n ASP 163 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2wvy s GLN 164 N -2.13 3.51 0.14 -1.24 -0.21 -1.26 -1.11 119.66 117.35 2wvy s GLN 164 Ca 0.54 -0.56 0.07 0.00 0.02 0.00 0.00 55.36 55.44 2wvy s GLN 164 Cb -0.48 -3.12 -0.04 0.00 1.00 0.00 0.00 33.01 30.37 2wvy s GLN 164 CO 0.63 -0.16 -0.17 0.71 -2.12 0.00 0.00 175.29 174.18 2wvy s TYR 165 N 1.44 1.63 -0.07 0.91 2.02 -0.48 -1.03 117.35 121.77 2wvy s TYR 165 Ca 0.05 -0.49 0.02 0.00 -0.37 0.00 0.00 57.07 56.28 2wvy s TYR 165 Cb -0.15 -0.84 0.01 0.00 -0.40 0.00 0.00 41.96 40.59 2wvy s TYR 165 CO -0.00 0.23 -0.12 0.08 -1.57 0.00 0.00 175.55 174.17 2wvy s VAL 166 N -1.93 1.16 -0.16 0.71 1.01 -0.38 -0.63 120.40 120.17 2wvy s VAL 166 Ca 0.11 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 2wvy s VAL 166 Cb -0.06 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2wvy s VAL 166 CO 0.05 0.36 -0.01 -0.69 0.00 0.00 0.00 175.10 174.82 2wvy s VAL 167 N 0.71 4.19 -0.20 2.92 1.01 0.92 -1.34 120.40 128.60 2wvy s VAL 167 Ca -0.14 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 2wvy s VAL 167 Cb -0.16 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 2wvy s VAL 167 CO 0.03 0.48 0.05 -0.69 0.00 0.00 0.00 175.10 174.97 2wvy s VAL 168 N 0.34 4.45 -0.22 2.92 1.01 0.47 -0.27 120.40 129.11 2wvy s VAL 168 Ca -0.02 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.83 2wvy s VAL 168 Cb -0.14 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.25 2wvy s VAL 168 CO 0.02 0.42 -0.14 -0.62 0.00 0.00 0.00 175.10 174.78 2wvy s ASP 169 N 0.83 3.77 -0.09 3.32 -1.08 -0.23 -0.48 116.67 122.70 2wvy s ASP 169 Ca 0.03 -0.89 0.18 0.00 -0.52 0.00 0.00 52.55 51.35 2wvy s ASP 169 Cb -0.14 -1.55 0.64 0.00 -1.46 0.00 0.00 42.92 40.41 2wvy s ASP 169 CO 0.02 -0.08 1.55 0.00 0.52 0.00 0.00 175.17 177.18 2wvy n ALA 170 N 4.59 2.86 -0.55 3.66 0.00 -0.11 -0.53 120.51 130.43 2wvy n ALA 170 Ca -0.18 -1.58 0.07 0.00 0.00 0.00 0.00 53.44 51.76 2wvy n ALA 170 Cb 0.47 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 2wvy n ALA 170 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wvy n TYR 171 N 0.94 -1.40 -2.80 0.00 4.01 -1.25 -4.62 117.16 112.03 2wvy n TYR 171 Ca 0.23 0.72 -0.07 0.00 -0.16 0.00 0.00 57.90 58.63 2wvy n TYR 171 Cb 0.79 -1.27 0.03 0.00 -0.31 0.00 0.00 39.34 38.58 2wvy n TYR 171 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2wvy n ASN 172 N -2.80 0.60 0.00 7.72 6.94 -1.25 -3.36 115.26 123.11 2wvy n ASN 172 Ca -0.01 -1.45 0.00 0.00 -0.02 0.00 0.00 54.58 53.10 2wvy n ASN 172 Cb 0.25 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 2wvy n ASN 172 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wvy n GLY 173 N 2.66 0.54 0.00 4.83 0.00 -0.40 -3.63 105.19 109.19 2wvy n GLY 173 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2wvy n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvy n GLY 174 N -2.84 0.74 3.58 -0.02 0.00 -0.28 -4.50 105.19 101.86 2wvy n GLY 174 Ca 0.00 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 2wvy n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wvy s SER 175 N -0.19 3.47 0.01 1.61 1.04 0.12 -3.99 113.70 115.76 2wvy s SER 175 Ca 0.00 -1.40 -0.14 0.00 0.48 0.00 0.00 55.95 54.88 2wvy s SER 175 Cb 0.00 -0.22 0.02 0.00 0.10 0.00 0.00 66.02 65.92 2wvy s SER 175 CO 0.00 -0.54 0.30 -0.94 0.98 0.00 0.00 173.24 173.05 2wvy s SER 176 N -3.66 -0.16 -0.01 7.02 1.04 -0.73 -2.13 113.70 115.07 2wvy s SER 176 Ca 0.33 -0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.71 2wvy s SER 176 Cb 0.09 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2wvy s SER 176 CO 0.16 -0.51 0.04 -0.63 0.98 0.00 0.00 173.24 173.27 2wvy s ILE 177 N -1.82 0.01 -0.06 -1.02 1.01 -0.79 -1.27 121.20 117.26 2wvy s ILE 177 Ca -0.10 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.48 2wvy s ILE 177 Cb -0.03 -0.09 0.02 0.00 0.01 0.00 0.00 42.46 42.36 2wvy s ILE 177 CO 0.01 -0.05 -0.09 0.42 0.00 0.00 0.00 174.94 175.23 2wvy s THR 178 N -0.13 0.92 -0.11 2.92 -4.23 0.10 -1.82 115.64 113.28 2wvy s THR 178 Ca -0.02 -0.34 -0.05 0.00 -1.18 0.00 0.00 61.69 60.10 2wvy s THR 178 Cb -0.01 -0.87 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 2wvy s THR 178 CO 0.00 0.31 0.07 -0.63 -0.54 0.00 0.00 174.62 173.83 2wvy s ILE 179 N 0.80 4.88 -0.55 2.99 1.01 0.10 -0.83 121.20 129.61 2wvy s ILE 179 Ca -0.12 -0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.54 2wvy s ILE 179 Cb -0.15 -3.11 0.15 0.00 0.01 0.00 0.00 42.46 39.36 2wvy s ILE 179 CO 0.02 0.59 0.35 -1.61 0.00 0.00 0.00 174.94 174.29 2wvy s GLU 180 N -0.80 1.80 0.24 2.79 2.02 0.18 -4.83 118.70 120.10 2wvy s GLU 180 Ca 0.13 -2.62 -0.05 0.00 0.02 0.00 0.00 54.97 52.44 2wvy s GLU 180 Cb -0.12 -2.81 0.25 0.00 0.10 0.00 0.00 34.13 31.55 2wvy s GLU 180 CO 0.03 -1.22 1.78 -1.00 0.02 0.00 0.00 175.26 174.86 2wvy h PRO 181 N 6.07 1.02 -0.07 0.39 0.14 -1.96 -0.63 132.00 136.97 2wvy h PRO 181 Ca 0.07 -0.22 -0.10 0.00 0.14 0.00 0.00 66.00 65.89 2wvy h PRO 181 Cb 0.86 -0.15 -0.01 0.00 0.14 0.00 0.00 31.00 31.83 2wvy h PRO 181 CO 0.60 0.89 -0.41 0.93 0.14 0.00 0.00 178.00 180.14 2wvy h GLU 182 N 0.98 0.16 -0.00 0.86 3.07 -1.94 -2.74 114.58 114.97 2wvy h GLU 182 Ca 0.21 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 2wvy h GLU 182 Cb 0.30 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2wvy h GLU 182 CO -0.01 0.55 -0.33 1.63 -1.40 0.00 0.00 179.01 179.46 2wvy n LYS 183 N -4.03 0.06 -3.27 2.33 5.02 -0.80 -4.96 118.16 112.52 2wvy n LYS 183 Ca -0.02 -0.03 -0.18 0.00 -2.02 0.00 0.00 58.31 56.06 2wvy n LYS 183 Cb 0.47 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.04 2wvy n LYS 183 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wvy n ARG 184 N -1.45 -5.81 -4.38 1.97 1.74 -0.31 -4.86 116.66 103.56 2wvy n ARG 184 Ca 0.07 0.66 -0.26 0.00 -0.77 0.00 0.00 57.85 57.54 2wvy n ARG 184 Cb 0.33 -5.15 -0.13 0.00 -1.02 0.00 0.00 32.46 26.50 2wvy n ARG 184 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wvy s LEU 185 N -5.82 2.29 -0.02 0.55 1.43 -0.81 -1.56 118.68 114.75 2wvy s LEU 185 Ca 0.42 -0.70 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 2wvy s LEU 185 Cb -0.19 -1.04 -0.00 0.00 0.03 0.00 0.00 46.19 44.99 2wvy s LEU 185 CO 0.52 0.12 -0.12 -0.69 0.23 0.00 0.00 176.35 176.41 2wvy s VAL 186 N -1.08 0.97 0.12 -1.59 1.01 -0.56 -0.65 120.40 118.62 2wvy s VAL 186 Ca 0.10 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2wvy s VAL 186 Cb -0.10 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 2wvy s VAL 186 CO 0.05 0.28 -0.06 -0.54 0.00 0.00 0.00 175.10 174.83 2wvy s LYS 187 N -0.07 0.93 0.06 2.72 1.02 -0.01 -0.52 119.74 123.87 2wvy s LYS 187 Ca 0.01 -1.40 -0.27 0.00 0.02 0.00 0.00 55.97 54.33 2wvy s LYS 187 Cb -0.07 -0.28 0.09 0.00 -0.52 0.00 0.00 37.83 37.06 2wvy s LYS 187 CO 0.00 -0.03 1.16 0.20 -0.92 0.00 0.00 175.35 175.76 2wvy s GLY 188 N -3.09 -0.23 -0.04 -3.33 0.00 -0.71 0.01 107.32 99.93 2wvy s GLY 188 Ca 0.15 0.26 0.01 0.00 0.00 0.00 0.00 44.72 45.15 2wvy s GLY 188 CO -0.02 1.30 -0.03 0.00 0.00 0.00 0.00 173.10 174.35 2wvy s ALA 189 N -2.54 0.60 -0.10 3.20 0.00 -0.40 -1.51 121.76 121.01 2wvy s ALA 189 Ca 0.17 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.14 2wvy s ALA 189 Cb 0.01 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 2wvy s ALA 189 CO -0.00 -0.04 -0.14 -0.08 0.00 0.00 0.00 175.76 175.50 2wvy s THR 190 N 0.96 3.02 0.00 0.00 -1.32 -0.56 -1.77 115.64 115.98 2wvy s THR 190 Ca -0.10 -0.70 0.00 0.00 -1.21 0.00 0.00 61.69 59.68 2wvy s THR 190 Cb -0.14 -2.23 0.00 0.00 -1.51 0.00 0.00 72.50 68.62 2wvy s THR 190 CO -0.00 0.55 0.43 0.54 -2.21 0.00 0.00 174.62 173.93 2wvy n ARG 191 N 3.03 -0.27 -1.57 7.08 1.74 -1.26 -1.06 116.66 124.35 2wvy n ARG 191 Ca -0.18 -0.43 -0.49 0.00 -0.77 0.00 0.00 57.85 55.98 2wvy n ARG 191 Cb 0.52 -0.93 -0.04 0.00 -1.02 0.00 0.00 32.46 30.99 2wvy n ARG 191 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2wvy n TYR 192 N -0.08 1.24 -3.80 -1.55 9.36 -1.24 -4.76 117.16 116.32 2wvy n TYR 192 Ca 0.00 0.70 -0.08 0.00 3.32 0.00 0.00 57.90 61.84 2wvy n TYR 192 Cb 0.01 -2.27 -0.02 0.00 -0.63 0.00 0.00 39.34 36.43 2wvy n TYR 192 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wvy s ASN 193 N -0.02 -0.29 -0.32 2.98 2.20 -1.26 -0.77 114.94 117.45 2wvy s ASN 193 Ca 0.74 -0.54 0.07 0.00 -0.94 0.00 0.00 52.86 52.19 2wvy s ASN 193 Cb -0.87 0.69 0.46 0.00 -2.00 0.00 0.00 41.25 39.54 2wvy s ASN 193 CO 0.52 -1.27 1.36 0.59 -2.94 0.00 0.00 177.10 175.37 2wvy n ASN 194 N -0.44 3.94 0.00 3.54 3.02 -1.20 -4.97 115.26 119.16 2wvy n ASN 194 Ca -0.06 -3.80 0.00 0.00 -0.03 0.00 0.00 54.58 50.69 2wvy n ASN 194 Cb 0.60 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 2wvy n ASN 194 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wvy n GLY 195 N -0.92 -3.32 2.36 7.41 0.00 -1.26 -5.02 105.19 104.43 2wvy n GLY 195 Ca 0.38 -2.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.19 2wvy n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvy n GLY 196 N -0.07 -0.36 3.29 -0.02 0.00 -1.26 -4.62 105.19 102.15 2wvy n GLY 196 Ca 0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 2wvy n GLY 196 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wvy s VAL 197 N -2.93 1.76 0.93 1.61 -7.23 -1.26 -0.16 120.40 113.12 2wvy s VAL 197 Ca 0.00 -1.48 -0.12 0.00 -1.81 0.00 0.00 61.98 58.57 2wvy s VAL 197 Cb 0.00 -1.58 0.15 0.00 0.56 0.00 0.00 36.38 35.51 2wvy s VAL 197 CO 0.00 0.02 1.10 -2.84 -0.31 0.00 0.00 175.10 173.07 2wvy s PRO 198 N -1.74 1.01 0.44 4.82 0.02 -1.26 -4.95 135.00 133.35 2wvy s PRO 198 Ca 0.07 0.67 0.13 0.00 0.02 0.00 0.00 61.00 61.89 2wvy s PRO 198 Cb -0.10 -1.79 1.03 0.00 0.02 0.00 0.00 34.50 33.67 2wvy s PRO 198 CO 0.04 -2.37 2.02 -0.44 -0.33 0.00 0.00 177.00 175.92 2wvy h ASP 199 N -1.64 0.33 -0.42 2.53 5.19 -1.98 -2.55 116.42 117.87 2wvy h ASP 199 Ca -0.51 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 2wvy h ASP 199 Cb 1.30 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.74 2wvy h ASP 199 CO 0.56 0.21 0.00 -0.46 -3.12 0.00 0.00 179.24 176.44 2wvy n ASN 200 N -4.47 3.54 -4.77 6.45 0.23 -1.26 -4.99 115.26 109.98 2wvy n ASN 200 Ca 0.06 -2.38 -0.41 0.00 -0.53 0.00 0.00 54.58 51.33 2wvy n ASN 200 Cb 0.27 -0.51 -0.01 0.00 -2.08 0.00 0.00 39.78 37.45 2wvy n ASN 200 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 2wvy s PHE 201 N -1.85 2.71 -0.15 -2.53 5.36 -0.96 -5.03 117.98 115.54 2wvy s PHE 201 Ca 0.35 1.19 -0.30 0.00 -0.96 0.00 0.00 56.93 57.20 2wvy s PHE 201 Cb 0.23 -3.95 0.12 0.00 -0.34 0.00 0.00 43.02 39.09 2wvy s PHE 201 CO 0.15 -2.78 0.98 0.00 -1.46 0.00 0.00 175.22 172.10 2wvy s ALA 202 N -1.00 -1.92 -0.22 11.12 0.00 -1.26 -4.79 121.76 123.69 2wvy s ALA 202 Ca 0.53 1.54 -0.09 0.00 0.00 0.00 0.00 51.96 53.94 2wvy s ALA 202 Cb -0.45 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 2wvy s ALA 202 CO 0.59 -0.34 0.12 1.21 0.00 0.00 0.00 175.76 177.34 2wvy s ASN 203 N -1.20 5.83 -0.25 0.00 2.47 -0.22 -4.57 114.94 117.00 2wvy s ASN 203 Ca -0.02 0.06 -0.08 0.00 0.42 0.00 0.00 52.86 53.24 2wvy s ASN 203 Cb -0.00 -2.04 -0.03 0.00 -1.45 0.00 0.00 41.25 37.73 2wvy s ASN 203 CO 0.01 0.09 0.09 -0.31 -3.72 0.00 0.00 177.10 173.26 2wvy s TYR 204 N 0.91 3.12 0.26 0.43 2.02 0.50 -1.49 117.35 123.09 2wvy s TYR 204 Ca 0.06 -0.28 0.11 0.00 -0.37 0.00 0.00 57.07 56.58 2wvy s TYR 204 Cb -0.13 -2.25 -0.05 0.00 -0.40 0.00 0.00 41.96 39.13 2wvy s TYR 204 CO 0.03 -0.28 -0.14 -0.59 -1.57 0.00 0.00 175.55 173.01 2wvy s PHE 205 N 1.53 2.45 -0.03 2.71 -0.12 -0.57 -0.80 117.98 123.14 2wvy s PHE 205 Ca 0.06 -0.29 -0.11 0.00 -0.05 0.00 0.00 56.93 56.54 2wvy s PHE 205 Cb -0.15 -1.10 0.02 0.00 -0.63 0.00 0.00 43.02 41.16 2wvy s PHE 205 CO 0.05 0.64 0.25 0.00 -0.05 0.00 0.00 175.22 176.11 2wvy s MET 206 N -3.39 0.52 0.05 1.99 0.23 -0.64 -1.73 119.30 116.33 2wvy s MET 206 Ca 0.29 -0.10 -0.03 0.00 -1.03 0.00 0.00 55.69 54.82 2wvy s MET 206 Cb -0.06 0.23 -0.02 0.00 -1.53 0.00 0.00 34.83 33.45 2wvy s MET 206 CO 0.16 -0.12 0.03 0.00 -2.03 0.00 0.00 175.02 173.06 2wvy s MET 207 N -0.94 0.58 -0.02 3.16 0.23 0.32 -1.87 119.30 120.75 2wvy s MET 207 Ca -0.10 -0.95 0.03 0.00 -1.03 0.00 0.00 55.69 53.64 2wvy s MET 207 Cb -0.05 0.21 0.00 0.00 -1.53 0.00 0.00 34.83 33.46 2wvy s MET 207 CO 0.02 -0.13 -0.10 -2.00 -2.03 0.00 0.00 175.02 170.78 2wvy s GLU 208 N -3.11 1.06 -0.02 3.16 2.12 0.78 -1.50 118.70 121.18 2wvy s GLU 208 Ca -0.01 -0.36 0.01 0.00 0.36 0.00 0.00 54.97 54.98 2wvy s GLU 208 Cb 0.02 -0.98 -0.03 0.00 0.26 0.00 0.00 34.13 33.40 2wvy s GLU 208 CO -0.07 0.15 -0.03 -0.06 -0.54 0.00 0.00 175.26 174.72 2wvy s PHE 209 N 0.09 3.01 -0.35 5.30 0.08 -0.60 -1.25 117.98 124.26 2wvy s PHE 209 Ca -0.02 0.05 0.26 0.00 0.12 0.00 0.00 56.93 57.34 2wvy s PHE 209 Cb -0.08 -1.67 0.68 0.00 -0.57 0.00 0.00 43.02 41.38 2wvy s PHE 209 CO 0.00 0.42 1.73 0.66 -0.10 0.00 0.00 175.22 177.93 2wvy h SER 210 N 4.60 0.00 -2.77 1.36 4.64 -1.48 -3.46 113.55 116.43 2wvy h SER 210 Ca -0.49 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.21 2wvy h SER 210 Cb 1.18 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.10 2wvy h SER 210 CO 0.55 0.00 -0.79 -1.00 -0.87 0.00 0.00 176.83 174.72 2wvy s HIS 211 N -3.31 2.24 0.34 4.77 3.76 -1.26 -4.96 115.29 116.86 2wvy s HIS 211 Ca 0.06 -0.36 -0.27 0.00 -0.15 0.00 0.00 55.06 54.34 2wvy s HIS 211 Cb 0.07 -1.04 -0.13 0.00 1.11 0.00 0.00 32.58 32.60 2wvy s HIS 211 CO 0.62 0.58 1.12 -2.30 -0.85 0.00 0.00 174.74 173.91 2wvy n PRO 212 N -0.16 1.66 -2.91 8.40 -0.02 -1.26 -4.95 135.00 135.76 2wvy n PRO 212 Ca -0.09 0.58 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 2wvy n PRO 212 Cb 0.58 -2.08 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 2wvy n PRO 212 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wvy s VAL 213 N -1.12 4.63 -0.07 -1.45 1.01 -1.26 -4.47 120.40 117.67 2wvy s VAL 213 Ca 0.58 0.77 0.14 0.00 0.00 0.00 0.00 61.98 63.47 2wvy s VAL 213 Cb -0.62 -4.31 -0.11 0.00 0.00 0.00 0.00 36.38 31.35 2wvy s VAL 213 CO 0.60 -0.61 1.05 0.40 0.00 0.00 0.00 175.10 176.54 2wvy h ILE 214 N 5.90 0.88 -2.30 2.22 1.08 -1.19 -3.48 117.51 120.62 2wvy h ILE 214 Ca -0.24 -2.44 -0.01 0.00 -0.39 0.00 0.00 64.86 61.78 2wvy h ILE 214 Cb 1.09 2.35 -0.17 0.00 -3.07 0.00 0.00 36.82 37.02 2wvy h ILE 214 CO 0.96 0.50 0.28 -0.70 -0.69 0.00 0.00 178.15 178.50 2wvy s GLU 215 N -2.84 1.05 0.24 2.37 2.56 -1.20 -4.98 118.70 115.90 2wvy s GLU 215 Ca -0.01 -0.05 -0.20 0.00 0.00 0.00 0.00 54.97 54.72 2wvy s GLU 215 Cb 0.08 0.49 0.02 0.00 2.00 0.00 0.00 34.13 36.73 2wvy s GLU 215 CO 0.80 -0.39 0.64 1.52 -0.56 0.00 0.00 175.26 177.26 2wvy s TYR 216 N -2.23 -0.15 0.02 5.30 -0.85 -1.26 -0.50 117.35 117.69 2wvy s TYR 216 Ca -0.04 -0.24 -0.29 0.00 -0.52 0.00 0.00 57.07 55.97 2wvy s TYR 216 Cb -0.00 0.56 0.10 0.00 0.38 0.00 0.00 41.96 43.00 2wvy s TYR 216 CO -0.01 -1.10 1.15 0.20 -1.52 0.00 0.00 175.55 174.28 2wvy s GLY 217 N -2.90 -0.35 0.34 5.49 0.00 -1.09 -0.98 107.32 107.83 2wvy s GLY 217 Ca 0.11 0.61 0.05 0.00 0.00 0.00 0.00 44.72 45.49 2wvy s GLY 217 CO 0.03 0.13 0.03 -0.51 0.00 0.00 0.00 173.10 172.78 2wvy s THR 218 N -2.74 1.46 -0.08 0.90 -4.23 -0.67 -1.16 115.64 109.11 2wvy s THR 218 Ca 0.13 -2.02 -0.05 0.00 -1.18 0.00 0.00 61.69 58.56 2wvy s THR 218 Cb 0.02 -2.78 0.03 0.00 1.34 0.00 0.00 72.50 71.11 2wvy s THR 218 CO -0.02 -0.05 0.20 -0.47 -0.54 0.00 0.00 174.62 173.73 2wvy s TYR 219 N -3.11 -0.24 -0.27 3.99 5.04 0.82 0.30 117.35 123.88 2wvy s TYR 219 Ca 0.35 0.59 0.15 0.00 -2.44 0.00 0.00 57.07 55.73 2wvy s TYR 219 Cb 0.08 0.03 0.43 0.00 0.35 0.00 0.00 41.96 42.85 2wvy s TYR 219 CO 0.15 -0.16 1.33 0.27 -1.34 0.00 0.00 175.55 175.81 2wvy n ASN 220 N 3.63 3.38 0.00 4.32 0.23 -1.04 -2.09 115.26 123.69 2wvy n ASN 220 Ca -0.20 -2.83 0.00 0.00 -0.53 0.00 0.00 54.58 51.02 2wvy n ASN 220 Cb 0.55 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 2wvy n ASN 220 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wvy n GLY 221 N -0.53 2.15 1.21 4.83 0.00 -1.19 -4.54 105.19 107.13 2wvy n GLY 221 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2wvy n GLY 221 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wvy n ASP 222 N 0.00 0.86 -4.45 1.61 9.92 -1.26 -5.09 116.55 118.14 2wvy n ASP 222 Ca 0.00 0.20 -0.33 0.00 -0.53 0.00 0.00 54.79 54.13 2wvy n ASP 222 Cb 0.00 -0.20 -0.14 0.00 -0.64 0.00 0.00 41.12 40.15 2wvy n ASP 222 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2wvy s THR 223 N -2.00 2.94 -0.03 -3.53 2.01 -1.26 -5.10 115.64 108.68 2wvy s THR 223 Ca 0.00 -0.76 -0.30 0.00 0.31 0.00 0.00 61.69 60.94 2wvy s THR 223 Cb 0.00 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 2wvy s THR 223 CO 0.00 0.59 1.01 -0.22 -0.69 0.00 0.00 174.62 175.31 2wvy s LEU 224 N -0.64 4.33 -0.55 4.42 2.96 -1.26 -2.49 118.68 125.46 2wvy s LEU 224 Ca 0.09 1.66 -0.01 0.00 -0.22 0.00 0.00 54.13 55.65 2wvy s LEU 224 Cb -0.11 -3.57 0.14 0.00 0.50 0.00 0.00 46.19 43.16 2wvy s LEU 224 CO 0.01 -0.34 0.33 -0.76 -1.32 0.00 0.00 176.35 174.27 2wvy s LEU 225 N 1.34 5.03 0.44 -0.68 1.43 0.15 -4.99 118.68 121.39 2wvy s LEU 225 Ca 0.52 -2.69 -0.25 0.00 -1.03 0.00 0.00 54.13 50.68 2wvy s LEU 225 Cb -0.21 -1.79 -0.08 0.00 0.03 0.00 0.00 46.19 44.14 2wvy s LEU 225 CO 0.25 -0.37 1.31 -1.00 0.23 0.00 0.00 176.35 176.77 2wvy s HIS 226 N 0.18 2.70 -1.29 0.29 3.76 -1.26 -1.67 115.29 118.00 2wvy s HIS 226 Ca 0.15 1.40 0.00 0.00 -0.15 0.00 0.00 55.06 56.46 2wvy s HIS 226 Cb -0.22 -3.68 0.00 0.00 1.11 0.00 0.00 32.58 29.79 2wvy s HIS 226 CO -0.03 -2.24 0.00 1.58 -0.85 0.00 0.00 174.74 173.20 2wvy n HIS 227 N -0.16 0.00 -3.83 1.40 -0.00 -0.15 -4.91 115.22 107.58 2wvy n HIS 227 Ca 0.05 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.43 2wvy n HIS 227 Cb 0.44 -2.61 -0.05 0.00 -0.00 0.00 0.00 29.99 27.77 2wvy n HIS 227 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 2wvy s GLN 228 N -2.93 3.51 -0.21 1.57 -0.21 -1.18 -4.97 119.66 115.24 2wvy s GLN 228 Ca 0.00 -0.18 0.13 0.00 0.02 0.00 0.00 55.36 55.33 2wvy s GLN 228 Cb 0.00 -3.09 -0.22 0.00 1.00 0.00 0.00 33.01 30.70 2wvy s GLN 228 CO 0.00 0.66 -0.00 0.25 -2.12 0.00 0.00 175.29 174.08 2wvy n THR 229 N 1.07 1.36 -4.87 -0.19 -2.24 -1.26 -3.79 114.28 104.36 2wvy n THR 229 Ca -0.11 -0.76 -0.33 0.00 -2.27 0.00 0.00 64.05 60.58 2wvy n THR 229 Cb 0.53 -0.70 -0.13 0.00 -2.10 0.00 0.00 70.33 67.92 2wvy n THR 229 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wvy s ASP 230 N -5.65 4.01 0.01 3.42 1.11 -1.26 -0.72 116.67 117.59 2wvy s ASP 230 Ca -0.16 -0.24 -0.05 0.00 0.18 0.00 0.00 52.55 52.29 2wvy s ASP 230 Cb 0.06 -1.05 -0.01 0.00 1.07 0.00 0.00 42.92 43.00 2wvy s ASP 230 CO 0.74 0.30 0.09 0.54 1.18 0.00 0.00 175.17 178.01 2wvy s VAL 231 N -0.43 0.10 -0.19 -1.27 0.11 -0.76 -5.00 120.40 112.96 2wvy s VAL 231 Ca 0.05 -0.81 -0.11 0.00 -2.93 0.00 0.00 61.98 58.18 2wvy s VAL 231 Cb -0.12 -0.45 0.06 0.00 -1.53 0.00 0.00 36.38 34.34 2wvy s VAL 231 CO 0.02 -0.45 0.47 0.00 -3.33 0.00 0.00 175.10 171.82 2wvy s ALA 232 N -1.58 -1.23 -0.01 1.54 0.00 -1.26 -1.89 121.76 117.32 2wvy s ALA 232 Ca -0.14 1.72 -0.24 0.00 0.00 0.00 0.00 51.96 53.30 2wvy s ALA 232 Cb -0.07 -1.03 0.08 0.00 0.00 0.00 0.00 23.12 22.09 2wvy s ALA 232 CO 0.00 -0.29 1.10 0.00 0.00 0.00 0.00 175.76 176.57 2wvy n ALA 233 N 4.24 -3.11 -0.14 0.00 0.00 -0.91 -5.02 120.51 115.57 2wvy n ALA 233 Ca -0.22 -0.70 -0.05 0.00 0.00 0.00 0.00 53.44 52.47 2wvy n ALA 233 Cb 0.56 0.14 0.04 0.00 0.00 0.00 0.00 19.45 20.19 2wvy n ALA 233 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2wvy h ASP 234 N 1.72 0.27 -3.35 0.00 3.58 -1.86 0.36 116.42 117.14 2wvy h ASP 234 Ca -0.18 0.03 -0.55 0.00 0.42 0.00 0.00 57.03 56.75 2wvy h ASP 234 Cb 1.02 -0.01 -0.34 0.00 1.72 0.00 0.00 39.33 41.72 2wvy h ASP 234 CO 0.27 0.19 -0.83 -0.47 -2.88 0.00 0.00 179.24 175.53 2wvy s TYR 235 N -6.14 1.70 0.01 0.28 5.04 -1.26 -1.13 117.35 115.84 2wvy s TYR 235 Ca -0.13 -0.70 0.01 0.00 -2.44 0.00 0.00 57.07 53.81 2wvy s TYR 235 Cb 0.13 -1.24 -0.01 0.00 0.35 0.00 0.00 41.96 41.20 2wvy s TYR 235 CO 0.73 -0.36 -0.04 0.95 -1.34 0.00 0.00 175.55 175.49 2wvy s THR 236 N 0.81 0.27 0.15 4.34 -4.23 -1.21 -3.16 115.64 112.60 2wvy s THR 236 Ca -0.11 -0.37 0.03 0.00 -1.18 0.00 0.00 61.69 60.05 2wvy s THR 236 Cb -0.15 -0.28 -0.04 0.00 1.34 0.00 0.00 72.50 73.36 2wvy s THR 236 CO 0.02 -0.07 -0.06 0.00 -0.54 0.00 0.00 174.62 173.97 2wvy s ALA 238 N -3.51 0.54 0.23 0.00 0.00 0.36 -0.13 121.76 119.26 2wvy s ALA 238 Ca 0.18 -0.89 0.11 0.00 0.00 0.00 0.00 51.96 51.36 2wvy s ALA 238 Cb 0.05 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 2wvy s ALA 238 CO 0.01 -0.13 -0.21 1.52 0.00 0.00 0.00 175.76 176.94 2wvy s TYR 239 N -2.12 2.20 -0.01 0.00 -0.85 -0.31 -0.39 117.35 115.86 2wvy s TYR 239 Ca -0.05 -0.37 0.03 0.00 -0.52 0.00 0.00 57.07 56.15 2wvy s TYR 239 Cb -0.05 -1.02 -0.00 0.00 0.38 0.00 0.00 41.96 41.26 2wvy s TYR 239 CO -0.02 0.57 -0.10 -0.51 -1.52 0.00 0.00 175.55 173.97 2wvy s LEU 240 N -3.08 1.95 -0.06 -3.49 1.02 -0.45 -2.65 118.68 111.92 2wvy s LEU 240 Ca 0.24 -0.19 0.02 0.00 0.02 0.00 0.00 54.13 54.23 2wvy s LEU 240 Cb -0.06 -0.53 -0.03 0.00 0.02 0.00 0.00 46.19 45.59 2wvy s LEU 240 CO 0.11 0.11 -0.10 -0.75 0.02 0.00 0.00 176.35 175.74 2wvy s LYS 241 N -0.10 2.63 0.38 1.70 2.20 0.34 -1.25 119.74 125.64 2wvy s LYS 241 Ca 0.02 -0.62 0.04 0.00 -0.36 0.00 0.00 55.97 55.04 2wvy s LYS 241 Cb -0.05 -2.49 -0.04 0.00 -1.51 0.00 0.00 37.83 33.74 2wvy s LYS 241 CO -0.00 0.64 0.08 -0.06 -0.36 0.00 0.00 175.35 175.65 2wvy s PHE 242 N -0.77 1.90 -0.41 4.03 0.08 -0.20 -0.58 117.98 122.03 2wvy s PHE 242 Ca 0.12 -1.08 0.09 0.00 0.12 0.00 0.00 56.93 56.18 2wvy s PHE 242 Cb -0.11 -1.29 0.32 0.00 -0.57 0.00 0.00 43.02 41.37 2wvy s PHE 242 CO 0.01 -0.08 0.83 -3.47 -0.10 0.00 0.00 175.22 172.41 2wvy n ASP 243 N -1.02 -0.48 -4.70 1.36 2.03 -1.26 -4.33 116.55 108.14 2wvy n ASP 243 Ca -0.06 -3.19 -0.42 0.00 0.52 0.00 0.00 54.79 51.64 2wvy n ASP 243 Cb 0.66 0.32 -0.03 0.00 -0.72 0.00 0.00 41.12 41.35 2wvy n ASP 243 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2wvy s VAL 244 N -1.22 3.76 0.69 5.18 1.01 -1.26 -4.97 120.40 123.59 2wvy s VAL 244 Ca 0.33 1.23 -0.15 0.00 0.00 0.00 0.00 61.98 63.39 2wvy s VAL 244 Cb 0.30 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.91 2wvy s VAL 244 CO -0.09 0.06 1.14 -2.84 0.00 0.00 0.00 175.10 173.37 2wvy s PRO 245 N 1.57 2.55 0.21 2.72 0.02 -1.26 -4.89 135.00 135.92 2wvy s PRO 245 Ca 0.61 1.51 -0.32 0.00 0.02 0.00 0.00 61.00 62.83 2wvy s PRO 245 Cb -0.32 -1.91 -0.14 0.00 0.02 0.00 0.00 34.50 32.16 2wvy s PRO 245 CO 0.28 -1.47 1.43 0.00 -0.33 0.00 0.00 177.00 176.92 2wvy n ALA 246 N -2.54 0.99 0.00 -1.55 0.00 -1.26 -1.42 120.51 114.72 2wvy n ALA 246 Ca 0.11 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2wvy n ALA 246 Cb 0.51 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.69 2wvy n ALA 246 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wvy n GLY 247 N 2.47 3.34 3.97 0.00 0.00 -1.26 -5.04 105.19 108.66 2wvy n GLY 247 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 2wvy n GLY 247 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wvy s GLU 248 N -0.69 3.03 0.09 1.61 2.02 -0.51 -5.11 118.70 119.15 2wvy s GLU 248 Ca 0.00 -0.79 0.08 0.00 0.02 0.00 0.00 54.97 54.27 2wvy s GLU 248 Cb 0.00 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.51 2wvy s GLU 248 CO 0.00 -0.15 -0.20 0.15 0.02 0.00 0.00 175.26 175.08 2wvy s LYS 249 N -4.39 1.08 -0.05 1.61 1.02 -1.26 -4.75 119.74 113.00 2wvy s LYS 249 Ca 0.48 -1.11 -0.22 0.00 0.02 0.00 0.00 55.97 55.14 2wvy s LYS 249 Cb -0.10 -1.29 -0.04 0.00 -0.52 0.00 0.00 37.83 35.88 2wvy s LYS 249 CO 0.35 0.30 0.65 -1.17 -0.92 0.00 0.00 175.35 174.56 2wvy s LEU 250 N -1.82 4.34 -0.12 3.17 2.96 -0.38 -4.88 118.68 121.95 2wvy s LEU 250 Ca 0.05 1.14 -0.04 0.00 -0.22 0.00 0.00 54.13 55.06 2wvy s LEU 250 Cb -0.10 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 2wvy s LEU 250 CO 0.04 -0.04 0.03 -0.89 -1.32 0.00 0.00 176.35 174.17 2wvy s THR 251 N 0.51 4.55 -0.14 3.68 2.01 -1.26 -0.87 115.64 124.13 2wvy s THR 251 Ca 0.34 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.21 2wvy s THR 251 Cb -0.18 -2.97 0.02 0.00 0.01 0.00 0.00 72.50 69.38 2wvy s THR 251 CO 0.17 0.55 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.87 2wvy s ILE 252 N -0.41 1.62 -0.09 1.82 1.01 -0.75 -1.17 121.20 123.23 2wvy s ILE 252 Ca 0.09 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.08 2wvy s ILE 252 Cb -0.12 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 2wvy s ILE 252 CO 0.02 0.47 -0.17 -0.13 0.00 0.00 0.00 174.94 175.13 2wvy s ARG 253 N 1.24 2.91 0.02 2.79 0.52 -0.38 -0.22 118.95 125.84 2wvy s ARG 253 Ca -0.00 -0.75 -0.05 0.00 -0.52 0.00 0.00 55.73 54.41 2wvy s ARG 253 Cb -0.14 -2.43 -0.01 0.00 0.52 0.00 0.00 34.95 32.89 2wvy s ARG 253 CO -0.07 0.37 0.09 -0.08 0.02 0.00 0.00 175.30 175.63 2wvy s THR 254 N -0.09 0.10 0.17 0.02 -1.32 -0.40 -0.16 115.64 113.97 2wvy s THR 254 Ca -0.03 -0.85 -0.14 0.00 -1.21 0.00 0.00 61.69 59.45 2wvy s THR 254 Cb -0.14 -0.51 0.02 0.00 -1.51 0.00 0.00 72.50 70.36 2wvy s THR 254 CO 0.04 -0.47 0.42 0.00 -2.21 0.00 0.00 174.62 172.40 2wvy s ALA 255 N -1.72 -0.63 0.26 11.08 0.00 -0.78 -1.19 121.76 128.78 2wvy s ALA 255 Ca -0.13 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.37 2wvy s ALA 255 Cb -0.07 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 2wvy s ALA 255 CO -0.01 -0.73 0.33 -1.54 0.00 0.00 0.00 175.76 173.82 2wvy s SER 256 N -2.89 0.36 -0.00 0.00 1.04 -1.09 -1.62 113.70 109.50 2wvy s SER 256 Ca 0.11 -1.29 -0.17 0.00 0.48 0.00 0.00 55.95 55.07 2wvy s SER 256 Cb 0.01 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.68 2wvy s SER 256 CO -0.03 -1.05 0.37 -0.55 0.98 0.00 0.00 173.24 172.95 2wvy s SER 257 N -3.15 -0.25 0.00 7.02 0.15 0.02 -4.71 113.70 112.78 2wvy s SER 257 Ca 0.32 0.12 0.24 0.00 0.70 0.00 0.00 55.95 57.33 2wvy s SER 257 Cb 0.03 0.36 0.34 0.00 -1.71 0.00 0.00 66.02 65.04 2wvy s SER 257 CO 0.14 -0.51 1.32 0.49 1.20 0.00 0.00 173.24 175.88 2wvy n PHE 258 N 1.05 0.00 -0.10 3.44 3.72 -1.26 -0.37 117.46 123.94 2wvy n PHE 258 Ca -0.21 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.06 2wvy n PHE 258 Cb 0.57 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 39.03 2wvy n PHE 258 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2wvy n ILE 259 N 0.23 1.49 -3.71 4.37 5.41 -1.26 -4.74 119.36 121.14 2wvy n ILE 259 Ca 0.12 0.04 -0.07 0.00 1.00 0.00 0.00 62.75 63.85 2wvy n ILE 259 Cb 0.46 -2.23 -0.02 0.00 -0.71 0.00 0.00 39.64 37.14 2wvy n ILE 259 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2wvy s SER 260 N -6.29 -0.29 0.41 4.38 1.04 -1.26 -4.99 113.70 106.70 2wvy s SER 260 Ca -0.27 -0.37 0.13 0.00 0.48 0.00 0.00 55.95 55.93 2wvy s SER 260 Cb 0.06 0.58 0.87 0.00 0.10 0.00 0.00 66.02 67.63 2wvy s SER 260 CO 0.40 -1.04 1.92 -0.65 0.98 0.00 0.00 173.24 174.85 2wvy h PRO 261 N 2.00 0.02 -0.25 4.02 0.11 -1.92 -1.28 132.00 134.71 2wvy h PRO 261 Ca -0.23 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 2wvy h PRO 261 Cb 1.25 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2wvy h PRO 261 CO 0.27 0.27 0.14 0.93 -0.21 0.00 0.00 178.00 179.41 2wvy h GLU 262 N 0.02 0.34 -0.28 1.05 3.07 -1.98 -2.17 114.58 114.63 2wvy h GLU 262 Ca 0.00 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.75 2wvy h GLU 262 Cb 0.46 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 2wvy h GLU 262 CO 0.03 0.29 -0.16 0.37 -1.40 0.00 0.00 179.01 178.15 2wvy h GLN 263 N 0.30 0.49 -0.96 2.33 5.75 -1.88 -1.63 115.11 119.51 2wvy h GLN 263 Ca 0.09 -0.15 0.04 0.00 -0.15 0.00 0.00 58.65 58.47 2wvy h GLN 263 Cb 0.04 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.49 2wvy h GLN 263 CO -0.02 0.64 0.63 0.00 -2.65 0.00 0.00 178.83 177.43 2wvy h ALA 264 N 1.38 1.27 -0.30 3.38 0.00 -1.01 0.88 119.26 124.87 2wvy h ALA 264 Ca 0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2wvy h ALA 264 Cb 0.54 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2wvy h ALA 264 CO 0.03 0.51 -0.43 0.00 0.00 0.00 0.00 179.25 179.36 2wvy h ALA 265 N 1.39 0.67 -0.35 0.00 0.00 -0.89 0.71 119.26 120.79 2wvy h ALA 265 Ca 0.38 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2wvy h ALA 265 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2wvy h ALA 265 CO -0.12 0.67 0.21 0.82 0.00 0.00 0.00 179.25 180.83 2wvy h ILE 266 N 0.61 1.05 -0.59 0.00 2.04 -0.69 0.61 117.51 120.54 2wvy h ILE 266 Ca 0.04 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2wvy h ILE 266 Cb 0.99 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 2wvy h ILE 266 CO 0.09 0.08 0.34 0.78 0.00 0.00 0.00 178.15 179.44 2wvy h ASN 267 N 0.43 0.71 -0.26 1.72 2.35 -0.61 -1.72 115.58 118.20 2wvy h ASN 267 Ca 0.13 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2wvy h ASN 267 Cb -0.01 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2wvy h ASN 267 CO -0.05 0.58 0.16 0.15 -1.65 0.00 0.00 177.43 176.62 2wvy h PHE 268 N 0.79 0.31 -0.20 1.19 3.57 -0.58 -0.49 116.94 121.53 2wvy h PHE 268 Ca 0.21 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.60 2wvy h PHE 268 Cb 0.00 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 2wvy h PHE 268 CO -0.02 0.19 -0.39 -0.91 -2.23 0.00 0.00 178.31 174.95 2wvy h ASN 269 N 0.34 0.48 0.30 0.41 2.35 -0.71 -0.61 115.58 118.13 2wvy h ASN 269 Ca 0.10 -0.20 -0.27 0.00 -0.55 0.00 0.00 56.30 55.38 2wvy h ASN 269 Cb -0.02 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.23 2wvy h ASN 269 CO -0.03 0.82 -1.14 -0.09 -1.65 0.00 0.00 177.43 175.34 2wvy h ARG 270 N 0.38 0.48 0.00 0.81 2.43 -1.22 -3.37 114.38 113.89 2wvy h ARG 270 Ca 0.04 -0.62 -0.38 0.00 -0.81 0.00 0.00 59.98 58.21 2wvy h ARG 270 Cb 0.86 0.20 -0.07 0.00 -0.42 0.00 0.00 29.97 30.54 2wvy h ARG 270 CO 0.07 1.25 -2.41 0.39 -1.51 0.00 0.00 179.97 177.76 2wvy n GLU 271 N -3.72 0.67 0.00 0.20 1.02 -0.20 -4.83 120.64 113.77 2wvy n GLU 271 Ca -0.10 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2wvy n GLU 271 Cb 0.94 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 2wvy n GLU 271 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2wvy n VAL 272 N -3.06 0.00 -1.60 2.62 0.24 -0.39 -4.97 118.33 111.17 2wvy n VAL 272 Ca -0.40 -0.15 -0.50 0.00 -2.04 0.00 0.00 64.34 61.25 2wvy n VAL 272 Cb 1.06 0.69 -0.05 0.00 -1.47 0.00 0.00 33.84 34.08 2wvy n VAL 272 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wvy n ALA 273 N -0.63 -0.56 -0.87 2.33 0.00 -0.38 -1.36 120.51 119.04 2wvy n ALA 273 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2wvy n ALA 273 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.35 2wvy n ALA 273 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wvy n ASP 274 N 2.42 -2.78 -4.84 0.00 10.43 -1.26 -4.97 116.55 115.55 2wvy n ASP 274 Ca 0.17 0.00 -0.35 0.00 2.57 0.00 0.00 54.79 57.18 2wvy n ASP 274 Cb 0.23 -1.99 -0.06 0.00 1.84 0.00 0.00 41.12 41.14 2wvy n ASP 274 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wvy s ALA 275 N -1.72 3.56 0.51 2.24 0.00 -0.47 -5.09 121.76 120.78 2wvy s ALA 275 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 51.96 51.95 2wvy s ALA 275 Cb 0.00 -2.55 0.05 0.00 0.00 0.00 0.00 23.12 20.62 2wvy s ALA 275 CO 0.00 0.44 0.69 0.16 0.00 0.00 0.00 175.76 177.05 2wvy s ASP 276 N -1.74 5.34 0.36 0.00 -4.77 -1.26 -4.98 116.67 109.63 2wvy s ASP 276 Ca 0.39 -0.67 0.09 0.00 -3.30 0.00 0.00 52.55 49.06 2wvy s ASP 276 Cb -0.15 -0.12 0.70 0.00 -1.09 0.00 0.00 42.92 42.26 2wvy s ASP 276 CO 0.19 -1.08 1.87 1.62 0.70 0.00 0.00 175.17 178.46 2wvy h VAL 277 N 0.39 1.21 -0.51 2.11 3.04 -1.86 -2.75 116.25 117.88 2wvy h VAL 277 Ca -0.34 -0.95 -0.10 0.00 -1.01 0.00 0.00 66.70 64.30 2wvy h VAL 277 Cb 1.28 1.31 -0.02 0.00 -2.01 0.00 0.00 31.29 31.86 2wvy h VAL 277 CO 0.43 0.29 -0.08 1.56 -1.01 0.00 0.00 177.57 178.76 2wvy h GLN 278 N 0.23 0.92 0.25 4.17 7.50 -1.96 0.31 115.11 126.53 2wvy h GLN 278 Ca 0.04 -0.31 -0.01 0.00 0.50 0.00 0.00 58.65 58.87 2wvy h GLN 278 Cb 0.47 -0.07 -0.00 0.00 0.05 0.00 0.00 27.48 27.93 2wvy h GLN 278 CO 0.03 0.97 -0.14 1.25 -1.50 0.00 0.00 178.83 179.44 2wvy h LEU 279 N 0.83 -0.33 -0.50 1.46 5.85 -1.90 -0.83 115.31 119.90 2wvy h LEU 279 Ca 0.14 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 2wvy h LEU 279 Cb 0.61 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2wvy h LEU 279 CO 0.04 -0.22 0.15 0.40 -0.34 0.00 0.00 178.44 178.47 2wvy h ILE 280 N -0.36 1.23 -0.13 4.05 1.08 -1.16 -1.64 117.51 120.58 2wvy h ILE 280 Ca -0.03 -0.78 0.04 0.00 -0.39 0.00 0.00 64.86 63.70 2wvy h ILE 280 Cb 0.29 0.78 -0.05 0.00 -3.07 0.00 0.00 36.82 34.78 2wvy h ILE 280 CO 0.05 0.29 -0.15 -1.28 -0.69 0.00 0.00 178.15 176.36 2wvy h SER 281 N 0.69 -0.47 -0.87 1.72 0.87 -0.40 -0.98 113.55 114.11 2wvy h SER 281 Ca 0.16 0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 2wvy h SER 281 Cb 0.28 0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.42 2wvy h SER 281 CO -0.00 -0.20 0.57 1.23 -0.53 0.00 0.00 176.83 177.90 2wvy h GLY 282 N -0.19 1.22 0.84 5.77 0.00 -0.87 0.95 103.07 110.79 2wvy h GLY 282 Ca 0.09 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 2wvy h GLY 282 CO -0.24 0.45 0.01 0.50 0.00 0.00 0.00 176.54 177.26 2wvy h LYS 283 N 1.18 0.39 -0.42 4.80 1.57 -1.00 -2.24 116.57 120.84 2wvy h LYS 283 Ca 0.32 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 2wvy h LYS 283 Cb -0.14 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2wvy h LYS 283 CO -0.07 0.55 -0.20 0.00 -0.57 0.00 0.00 179.45 179.16 2wvy h ALA 284 N 0.82 0.86 -0.55 3.86 0.00 -0.86 -1.46 119.26 121.92 2wvy h ALA 284 Ca 0.07 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.65 2wvy h ALA 284 Cb 0.37 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2wvy h ALA 284 CO 0.01 0.64 0.30 -0.09 0.00 0.00 0.00 179.25 180.11 2wvy h ARG 285 N 0.72 0.57 -0.54 0.00 2.43 -0.81 -0.86 114.38 115.90 2wvy h ARG 285 Ca 0.10 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2wvy h ARG 285 Cb 0.72 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 2wvy h ARG 285 CO 0.06 0.38 0.20 1.49 -1.51 0.00 0.00 179.97 180.58 2wvy h GLU 286 N 0.59 0.82 -0.18 0.20 4.81 -1.09 -0.63 114.58 119.09 2wvy h GLU 286 Ca 0.24 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2wvy h GLU 286 Cb 0.10 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2wvy h GLU 286 CO -0.14 0.73 0.08 1.96 -0.73 0.00 0.00 179.01 180.91 2wvy h GLN 287 N 0.73 0.17 -0.70 1.92 1.08 -0.94 -0.24 115.11 117.13 2wvy h GLN 287 Ca 0.18 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 2wvy h GLN 287 Cb 0.23 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 2wvy h GLN 287 CO -0.01 0.11 0.40 -1.49 -0.95 0.00 0.00 178.83 176.89 2wvy h TRP 288 N 0.17 0.96 -0.74 2.96 4.06 -0.92 -1.27 115.95 121.16 2wvy h TRP 288 Ca 0.07 -0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.98 2wvy h TRP 288 Cb 0.03 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 27.85 2wvy h TRP 288 CO -0.10 0.67 0.34 -0.91 -3.56 0.00 0.00 178.44 174.88 2wvy h ASN 289 N 0.97 0.97 -0.18 -3.49 2.35 -0.86 0.53 115.58 115.88 2wvy h ASN 289 Ca 0.25 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 2wvy h ASN 289 Cb 0.02 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 2wvy h ASN 289 CO -0.04 0.84 0.05 0.78 -1.65 0.00 0.00 177.43 177.40 2wvy h ASN 290 N 1.06 0.27 0.01 5.81 2.35 -0.41 -1.00 115.58 123.66 2wvy h ASN 290 Ca 0.26 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 2wvy h ASN 290 Cb 0.13 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.44 2wvy h ASN 290 CO -0.03 0.42 -0.32 1.88 -1.65 0.00 0.00 177.43 177.73 2wvy h TYR 291 N 0.10 0.31 -0.62 1.19 0.05 -1.11 -3.23 116.97 113.66 2wvy h TYR 291 Ca 0.06 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.67 2wvy h TYR 291 Cb 0.26 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 2wvy h TYR 291 CO 0.01 0.99 0.40 -0.07 -1.05 0.00 0.00 178.16 178.44 2wvy h LEU 292 N -0.47 0.73 0.00 3.88 3.38 -0.99 -2.72 115.31 119.12 2wvy h LEU 292 Ca -0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2wvy h LEU 292 Cb 1.09 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2wvy h LEU 292 CO 0.06 0.54 0.00 0.61 0.09 0.00 0.00 178.44 179.74 2wvy n GLY 293 N -1.40 -0.57 0.22 0.83 0.00 -0.38 -2.59 105.19 101.30 2wvy n GLY 293 Ca 0.06 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.21 2wvy n GLY 293 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wvy h ARG 294 N 0.00 0.00 -4.59 1.61 3.08 -1.55 -3.36 114.38 109.57 2wvy h ARG 294 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 2wvy h ARG 294 Cb 0.08 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 29.77 2wvy h ARG 294 CO 0.00 0.00 -0.83 0.54 -1.07 0.00 0.00 179.97 178.61 2wvy s VAL 295 N -3.57 1.45 -0.35 2.04 0.11 -1.07 -0.15 120.40 118.85 2wvy s VAL 295 Ca 0.01 -0.57 -0.10 0.00 -2.93 0.00 0.00 61.98 58.40 2wvy s VAL 295 Cb 0.09 -1.37 0.02 0.00 -1.53 0.00 0.00 36.38 33.59 2wvy s VAL 295 CO 0.45 0.44 0.17 -1.61 -3.33 0.00 0.00 175.10 171.22 2wvy s GLU 296 N 1.43 2.96 -0.07 1.54 2.02 0.13 -4.93 118.70 121.79 2wvy s GLU 296 Ca 0.03 -0.98 -0.13 0.00 0.02 0.00 0.00 54.97 53.91 2wvy s GLU 296 Cb -0.13 -3.64 -0.05 0.00 0.10 0.00 0.00 34.13 30.41 2wvy s GLU 296 CO -0.09 -0.60 0.32 0.00 0.02 0.00 0.00 175.26 174.91 2wvy s ALA 297 N 1.55 3.71 0.03 5.21 0.00 -1.26 -1.00 121.76 130.00 2wvy s ALA 297 Ca 0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 2wvy s ALA 297 Cb -0.18 -2.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.63 2wvy s ALA 297 CO 0.06 0.42 0.05 -1.21 0.00 0.00 0.00 175.76 175.08 2wvy s GLU 298 N -0.70 0.50 -0.36 0.00 2.02 0.30 -4.95 118.70 115.51 2wvy s GLU 298 Ca 0.20 -0.72 -0.02 0.00 0.02 0.00 0.00 54.97 54.46 2wvy s GLU 298 Cb -0.15 0.19 -0.02 0.00 0.10 0.00 0.00 34.13 34.25 2wvy s GLU 298 CO 0.09 -0.11 0.32 0.41 0.02 0.00 0.00 175.26 175.99 2wvy n GLY 299 N 1.02 0.02 3.64 -1.39 0.00 -1.26 -1.41 105.19 105.80 2wvy n GLY 299 Ca -0.20 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 2wvy n GLY 299 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wvy s GLY 300 N -2.99 0.39 0.71 -0.02 0.00 -1.26 -1.81 107.32 102.34 2wvy s GLY 300 Ca 0.13 -0.74 -0.11 0.00 0.00 0.00 0.00 44.72 44.00 2wvy s GLY 300 CO 0.27 -0.51 1.07 -0.51 0.00 0.00 0.00 173.10 173.41 2wvy s THR 301 N -3.99 3.89 0.26 0.90 -4.23 -1.26 -4.85 115.64 106.35 2wvy s THR 301 Ca 0.20 0.61 -0.02 0.00 -1.18 0.00 0.00 61.69 61.30 2wvy s THR 301 Cb -0.02 -3.31 0.24 0.00 1.34 0.00 0.00 72.50 70.76 2wvy s THR 301 CO 0.08 -0.80 1.83 0.44 -0.54 0.00 0.00 174.62 175.63 2wvy h ASP 302 N -0.80 0.79 -0.79 3.99 3.32 -2.02 -0.77 116.42 120.14 2wvy h ASP 302 Ca -0.44 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.65 2wvy h ASP 302 Cb 1.21 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 2wvy h ASP 302 CO 0.56 0.45 0.49 -0.08 -1.72 0.00 0.00 179.24 178.93 2wvy h GLU 303 N 0.90 1.07 -0.51 3.56 4.57 -1.99 0.39 114.58 122.57 2wvy h GLU 303 Ca 0.43 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.47 2wvy h GLU 303 Cb 0.38 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 2wvy h GLU 303 CO -0.24 0.75 0.12 1.96 -1.18 0.00 0.00 179.01 180.41 2wvy h GLN 304 N 1.08 0.83 -0.41 1.92 4.20 -1.71 -0.78 115.11 120.25 2wvy h GLN 304 Ca 0.29 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2wvy h GLN 304 Cb -0.06 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 2wvy h GLN 304 CO -0.06 0.80 0.22 -0.07 -0.67 0.00 0.00 178.83 179.05 2wvy h LEU 305 N 0.72 0.51 -0.69 1.46 3.38 -0.68 0.19 115.31 120.20 2wvy h LEU 305 Ca 0.16 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2wvy h LEU 305 Cb 0.35 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2wvy h LEU 305 CO 0.00 0.46 0.28 0.03 0.09 0.00 0.00 178.44 179.31 2wvy h ARG 306 N 0.53 1.03 -0.14 1.13 3.08 -0.07 -0.90 114.38 119.04 2wvy h ARG 306 Ca 0.14 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2wvy h ARG 306 Cb 0.07 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2wvy h ARG 306 CO -0.02 0.85 0.03 1.15 -1.07 0.00 0.00 179.97 180.90 2wvy h THR 307 N 0.98 1.21 0.08 2.04 2.02 -0.83 -1.31 112.91 117.10 2wvy h THR 307 Ca 0.23 -0.67 0.02 0.00 0.77 0.00 0.00 66.41 66.76 2wvy h THR 307 Cb 0.20 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 2wvy h THR 307 CO -0.02 0.20 -0.20 0.15 0.37 0.00 0.00 175.52 176.02 2wvy h PHE 308 N 0.01 -0.52 0.00 3.16 3.57 -0.45 -1.90 116.94 120.81 2wvy h PHE 308 Ca 0.04 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 2wvy h PHE 308 Cb 0.28 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2wvy h PHE 308 CO 0.01 -0.29 -0.37 1.88 -2.23 0.00 0.00 178.31 177.32 2wvy h TYR 309 N -0.36 0.00 -0.34 0.41 0.05 -1.16 -1.29 116.97 114.29 2wvy h TYR 309 Ca 0.03 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.69 2wvy h TYR 309 Cb 0.40 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 2wvy h TYR 309 CO -0.21 0.37 -0.26 0.77 -1.05 0.00 0.00 178.16 177.78 2wvy h SER 310 N 0.00 0.81 -0.54 3.88 0.02 -1.12 -0.13 113.55 116.47 2wvy h SER 310 Ca -0.00 -0.45 -0.07 0.00 -0.84 0.00 0.00 61.79 60.43 2wvy h SER 310 Cb 1.00 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 2wvy h SER 310 CO 0.05 1.08 0.08 0.00 -1.14 0.00 0.00 176.83 176.90 2wvy h LEU 312 N 0.90 0.31 -0.67 0.00 5.85 -1.07 -1.55 115.31 119.07 2wvy h LEU 312 Ca 0.18 -0.26 0.13 0.00 0.84 0.00 0.00 57.88 58.77 2wvy h LEU 312 Cb 0.42 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.27 2wvy h LEU 312 CO 0.01 0.49 0.19 0.22 -0.34 0.00 0.00 178.44 179.01 2wvy h TYR 313 N 0.12 0.30 -0.99 1.25 3.20 -0.89 0.11 116.97 120.08 2wvy h TYR 313 Ca 0.06 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.99 2wvy h TYR 313 Cb 0.31 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 2wvy h TYR 313 CO 0.02 -0.02 0.65 0.00 -1.64 0.00 0.00 178.16 177.18 2wvy h ARG 314 N 0.31 1.27 0.00 1.82 2.47 -1.09 -2.42 114.38 116.75 2wvy h ARG 314 Ca 0.36 -0.08 -0.06 0.00 -1.26 0.00 0.00 59.98 58.95 2wvy h ARG 314 Cb 0.56 -0.29 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 2wvy h ARG 314 CO -0.43 0.84 -0.28 1.15 0.56 0.00 0.00 179.97 181.82 2wvy h THR 315 N 1.31 0.80 -0.33 2.04 2.02 0.03 -2.76 112.91 116.03 2wvy h THR 315 Ca 0.37 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.43 2wvy h THR 315 Cb -0.10 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 2wvy h THR 315 CO -0.09 0.27 0.00 0.18 0.37 0.00 0.00 175.52 176.25 2wvy n LEU 316 N -3.64 2.02 0.06 2.58 4.77 -0.61 -4.14 117.00 118.05 2wvy n LEU 316 Ca -0.01 -0.96 -0.23 0.00 -0.03 0.00 0.00 56.01 54.78 2wvy n LEU 316 Cb 0.40 -0.22 -0.15 0.00 -2.33 0.00 0.00 43.42 41.13 2wvy n LEU 316 CO 0.35 0.48 -0.54 -0.07 -1.33 0.00 0.00 177.39 176.27 2wvy h LEU 317 N 2.35 0.59-10.04 2.23 3.38 -1.49 -0.08 115.31 112.25 2wvy h LEU 317 Ca 0.00 -0.93 -0.60 0.00 0.09 0.00 0.00 57.88 56.44 2wvy h LEU 317 Cb 0.53 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 2wvy h LEU 317 CO 0.00 1.78 -0.45 -0.36 0.09 0.00 0.00 178.44 179.49 2wvy s PHE 318 N -2.56 2.20 0.24 1.13 0.08 -1.26 -3.89 117.98 113.92 2wvy s PHE 318 Ca -0.17 -0.73 -0.13 0.00 0.12 0.00 0.00 56.93 56.02 2wvy s PHE 318 Cb 0.05 -1.87 -0.09 0.00 -0.57 0.00 0.00 43.02 40.54 2wvy s PHE 318 CO 0.84 0.03 0.05 -0.35 -0.10 0.00 0.00 175.22 175.69 2wvy n PRO 319 N -1.37 0.00 -2.85 0.24 -0.04 -1.26 -4.97 135.00 124.76 2wvy n PRO 319 Ca -0.05 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.08 2wvy n PRO 319 Cb 0.65 -0.60 -0.06 0.00 -0.04 0.00 0.00 33.50 33.45 2wvy n PRO 319 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2wvy s ARG 320 N -0.60 4.07 0.24 0.54 1.70 -0.48 -4.71 118.95 119.71 2wvy s ARG 320 Ca 0.36 0.89 -0.31 0.00 -0.47 0.00 0.00 55.73 56.20 2wvy s ARG 320 Cb -0.38 -2.27 -0.11 0.00 -0.57 0.00 0.00 34.95 31.62 2wvy s ARG 320 CO 0.38 -0.02 1.57 -1.21 -1.08 0.00 0.00 175.30 174.94 2wvy s GLU 321 N -3.34 4.18 -0.09 3.89 2.02 0.54 -1.78 118.70 124.11 2wvy s GLU 321 Ca 0.58 2.47 0.13 0.00 0.02 0.00 0.00 54.97 58.17 2wvy s GLU 321 Cb -0.10 -3.08 0.26 0.00 0.10 0.00 0.00 34.13 31.32 2wvy s GLU 321 CO 0.19 -0.59 1.17 0.34 0.02 0.00 0.00 175.26 176.40 2wvy n PHE 322 N 2.82 0.23 -4.18 1.61 7.35 0.32 -3.61 117.46 122.00 2wvy n PHE 322 Ca 0.10 -0.80 -0.23 0.00 -0.76 0.00 0.00 57.45 55.76 2wvy n PHE 322 Cb 0.38 -0.14 -0.06 0.00 0.35 0.00 0.00 39.48 40.00 2wvy n PHE 322 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2wvy s TYR 323 N -2.20 2.78 0.17 -5.13 -0.85 -1.24 -4.46 117.35 106.41 2wvy s TYR 323 Ca 0.25 -0.26 0.01 0.00 -0.52 0.00 0.00 57.07 56.55 2wvy s TYR 323 Cb 0.20 -1.41 -0.04 0.00 0.38 0.00 0.00 41.96 41.09 2wvy s TYR 323 CO 0.05 0.49 0.03 -1.21 -1.52 0.00 0.00 175.55 173.38 2wvy s GLU 324 N -3.78 1.09 -0.19 -3.49 2.02 0.15 -4.93 118.70 109.58 2wvy s GLU 324 Ca 0.34 -1.53 -0.04 0.00 0.02 0.00 0.00 54.97 53.76 2wvy s GLU 324 Cb -0.05 -0.11 -0.02 0.00 0.10 0.00 0.00 34.13 34.05 2wvy s GLU 324 CO 0.22 -0.19 -0.04 -0.06 0.02 0.00 0.00 175.26 175.21 2wvy s PHE 325 N -3.79 2.97 0.27 1.61 0.08 -1.26 0.18 117.98 118.03 2wvy s PHE 325 Ca 0.26 -0.64 -0.05 0.00 0.12 0.00 0.00 56.93 56.62 2wvy s PHE 325 Cb 0.07 -2.03 0.06 0.00 -0.57 0.00 0.00 43.02 40.55 2wvy s PHE 325 CO 0.04 -0.31 0.34 -0.40 -0.10 0.00 0.00 175.22 174.79 2wvy n ASP 326 N 4.20 -0.23 0.32 1.36 5.68 -0.33 -4.76 116.55 122.79 2wvy n ASP 326 Ca -0.18 -1.04 0.21 0.00 -0.50 0.00 0.00 54.79 53.29 2wvy n ASP 326 Cb 0.52 -0.27 1.07 0.00 -1.14 0.00 0.00 41.12 41.30 2wvy n ASP 326 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2wvy h SER 327 N -0.65 0.00 0.16 -1.12 4.64 -1.99 0.25 113.55 114.83 2wvy h SER 327 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2wvy h SER 327 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2wvy h SER 327 CO 0.08 0.00 -0.18 0.00 -0.87 0.00 0.00 176.83 175.85 2wvy n GLN 328 N -3.06 1.10 -0.92 4.77 3.00 -1.26 -4.93 117.38 116.09 2wvy n GLN 328 Ca -0.02 -0.65 0.00 0.00 -0.01 0.00 0.00 57.00 56.32 2wvy n GLN 328 Cb 0.13 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.89 2wvy n GLN 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wvy n GLY 329 N 1.29 0.46 3.87 1.08 0.00 0.87 -5.05 105.19 107.72 2wvy n GLY 329 Ca 0.14 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 2wvy n GLY 329 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wvy s ASN 330 N -2.66 6.52 0.11 1.61 0.01 -1.26 -4.73 114.94 114.55 2wvy s ASN 330 Ca 0.00 0.61 -0.31 0.00 -0.71 0.00 0.00 52.86 52.45 2wvy s ASN 330 Cb 0.00 -2.12 -0.08 0.00 0.41 0.00 0.00 41.25 39.46 2wvy s ASN 330 CO 0.00 0.35 1.45 -2.16 -1.51 0.00 0.00 177.10 175.23 2wvy s PRO 331 N -1.22 4.29 0.06 -0.60 0.04 -1.26 -1.19 135.00 135.12 2wvy s PRO 331 Ca 0.20 2.14 -0.05 0.00 0.04 0.00 0.00 61.00 63.33 2wvy s PRO 331 Cb -0.13 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 2wvy s PRO 331 CO 0.09 -0.51 0.09 0.14 0.04 0.00 0.00 177.00 176.86 2wvy s VAL 332 N 1.33 0.17 -0.07 -0.36 -7.23 0.13 -1.71 120.40 112.67 2wvy s VAL 332 Ca 0.66 -1.41 -0.16 0.00 -1.81 0.00 0.00 61.98 59.27 2wvy s VAL 332 Cb -0.38 -1.33 0.03 0.00 0.56 0.00 0.00 36.38 35.26 2wvy s VAL 332 CO 0.30 -0.78 0.37 -0.72 -0.31 0.00 0.00 175.10 173.96 2wvy s TYR 333 N -3.67 -0.31 -0.04 2.82 -0.85 -0.35 0.34 117.35 115.30 2wvy s TYR 333 Ca 0.04 0.62 -0.30 0.00 -0.52 0.00 0.00 57.07 56.91 2wvy s TYR 333 Cb 0.05 0.14 -0.04 0.00 0.38 0.00 0.00 41.96 42.49 2wvy s TYR 333 CO -0.10 -0.34 1.27 -0.47 -1.52 0.00 0.00 175.55 174.39 2wvy s TYR 334 N -0.74 3.07 -0.24 -3.49 5.04 -1.26 -0.94 117.35 118.79 2wvy s TYR 334 Ca -0.08 1.08 -0.25 0.00 -2.44 0.00 0.00 57.07 55.38 2wvy s TYR 334 Cb -0.04 -3.50 -0.00 0.00 0.35 0.00 0.00 41.96 38.77 2wvy s TYR 334 CO 0.03 -1.68 0.86 0.45 -1.34 0.00 0.00 175.55 173.87 2wvy s SER 335 N 1.63 6.87 0.00 4.32 0.15 -0.17 -4.89 113.70 121.61 2wvy s SER 335 Ca 0.58 1.08 0.22 0.00 0.70 0.00 0.00 55.95 58.53 2wvy s SER 335 Cb -0.27 -2.45 1.30 0.00 -1.71 0.00 0.00 66.02 62.89 2wvy s SER 335 CO 0.23 -0.53 1.69 -0.81 1.20 0.00 0.00 173.24 175.02 2wvy n PRO 336 N 6.02 0.73 -0.12 5.44 -0.04 -1.26 -0.82 135.00 144.95 2wvy n PRO 336 Ca 0.06 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.33 2wvy n PRO 336 Cb 0.47 -1.47 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 2wvy n PRO 336 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wvy n TYR 337 N -0.97 0.11 -0.24 0.54 4.01 -1.26 -4.22 117.16 115.14 2wvy n TYR 337 Ca 0.16 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 2wvy n TYR 337 Cb 0.07 -1.01 0.00 0.00 -0.31 0.00 0.00 39.34 38.09 2wvy n TYR 337 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2wvy n ASP 338 N -3.38 0.74 0.00 7.72 5.68 -1.21 -4.77 116.55 121.32 2wvy n ASP 338 Ca -0.46 -0.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 2wvy n ASP 338 Cb 0.98 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.98 2wvy n ASP 338 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wvy n GLY 339 N 0.02 0.77 3.92 6.12 0.00 0.00 -5.02 105.19 111.01 2wvy n GLY 339 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2wvy n GLY 339 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wvy s ASN 340 N -2.61 5.85 0.06 1.61 0.02 -1.26 -4.80 114.94 113.81 2wvy s ASN 340 Ca 0.00 -0.19 -0.20 0.00 -1.02 0.00 0.00 52.86 51.45 2wvy s ASN 340 Cb 0.00 -1.40 -0.06 0.00 0.02 0.00 0.00 41.25 39.81 2wvy s ASN 340 CO 0.00 -0.23 0.60 -0.69 0.02 0.00 0.00 177.10 176.80 2wvy s VAL 341 N -2.14 4.75 0.11 1.60 1.01 -1.26 -1.00 120.40 123.48 2wvy s VAL 341 Ca 0.39 1.29 0.04 0.00 0.00 0.00 0.00 61.98 63.69 2wvy s VAL 341 Cb -0.08 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2wvy s VAL 341 CO 0.28 0.50 -0.10 -1.00 0.00 0.00 0.00 175.10 174.79 2wvy s HIS 342 N -0.80 1.12 0.17 5.22 3.76 -0.11 -4.96 115.29 119.70 2wvy s HIS 342 Ca 0.31 -0.71 -0.27 0.00 -0.15 0.00 0.00 55.06 54.23 2wvy s HIS 342 Cb -0.19 -0.60 -0.08 0.00 1.11 0.00 0.00 32.58 32.82 2wvy s HIS 342 CO 0.19 0.02 0.84 -0.51 -0.85 0.00 0.00 174.74 174.43 2wvy s ASP 343 N -2.74 7.46 0.00 1.40 1.01 -1.26 -1.21 116.67 121.33 2wvy s ASP 343 Ca 0.10 1.72 0.00 0.00 0.71 0.00 0.00 52.55 55.08 2wvy s ASP 343 Cb -0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2wvy s ASP 343 CO -0.00 0.15 0.00 0.61 0.21 0.00 0.00 175.17 176.14 2wvy n GLY 344 N 1.70 0.19 3.63 0.21 0.00 -0.69 -4.92 105.19 105.30 2wvy n GLY 344 Ca -0.04 -2.16 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 2wvy n GLY 344 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wvy s TYR 345 N 0.00 2.83 -0.03 1.61 2.02 -1.26 -3.82 117.35 118.69 2wvy s TYR 345 Ca 0.00 -0.12 -0.15 0.00 -0.37 0.00 0.00 57.07 56.43 2wvy s TYR 345 Cb 0.00 -1.45 0.03 0.00 -0.40 0.00 0.00 41.96 40.14 2wvy s TYR 345 CO 0.00 0.46 0.34 1.41 -1.57 0.00 0.00 175.55 176.19 2wvy s MET 346 N -2.41 0.65 0.08 -0.62 -2.45 -1.26 -4.38 119.30 108.91 2wvy s MET 346 Ca 0.24 -0.06 0.01 0.00 -1.25 0.00 0.00 55.69 54.63 2wvy s MET 346 Cb -0.11 0.29 -0.04 0.00 1.25 0.00 0.00 34.83 36.23 2wvy s MET 346 CO 0.16 -0.17 -0.06 0.71 1.05 0.00 0.00 175.02 176.71 2wvy s TYR 347 N -1.09 0.79 0.15 4.11 2.02 -1.26 -0.52 117.35 121.55 2wvy s TYR 347 Ca -0.11 -0.84 -0.05 0.00 -0.37 0.00 0.00 57.07 55.69 2wvy s TYR 347 Cb -0.05 -0.47 0.02 0.00 -0.40 0.00 0.00 41.96 41.06 2wvy s TYR 347 CO 0.04 -0.16 0.30 -2.37 -1.57 0.00 0.00 175.55 171.78 2wvy n THR 348 N 0.31 0.00 -2.70 -0.71 5.66 -0.74 -4.87 114.28 111.24 2wvy n THR 348 Ca -0.15 -0.42 -0.10 0.00 -3.05 0.00 0.00 64.05 60.33 2wvy n THR 348 Cb 0.59 0.39 0.05 0.00 -1.55 0.00 0.00 70.33 69.82 2wvy n THR 348 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2wvy n ASP 349 N -1.27 -5.09 -3.71 1.09 8.00 -0.23 -1.38 116.55 113.95 2wvy n ASP 349 Ca -0.03 -0.48 -0.12 0.00 0.71 0.00 0.00 54.79 54.86 2wvy n ASP 349 Cb 0.23 -3.71 -0.10 0.00 -0.02 0.00 0.00 41.12 37.52 2wvy n ASP 349 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2wvy s ASN 350 N -3.28 -0.51 -0.30 -2.24 2.47 -0.91 -4.26 114.94 105.91 2wvy s ASN 350 Ca 0.31 0.96 -0.07 0.00 0.42 0.00 0.00 52.86 54.47 2wvy s ASN 350 Cb -0.04 0.94 0.01 0.00 -1.45 0.00 0.00 41.25 40.70 2wvy s ASN 350 CO 0.50 -0.17 0.09 -0.83 -3.72 0.00 0.00 177.10 172.98 2wvy s GLY 351 N 0.52 1.80 0.52 1.21 0.00 -1.26 -1.38 107.32 108.73 2wvy s GLY 351 Ca -0.02 -1.44 0.21 0.00 0.00 0.00 0.00 44.72 43.47 2wvy s GLY 351 CO -0.03 0.66 2.11 0.74 0.00 0.00 0.00 173.10 176.58 2wvy h PHE 352 N 8.26 0.00 -0.48 1.90 0.04 -1.14 -0.15 116.94 125.37 2wvy h PHE 352 Ca -0.32 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.59 2wvy h PHE 352 Cb 1.13 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.26 2wvy h PHE 352 CO 0.62 0.08 0.38 2.35 -0.60 0.00 0.00 178.31 181.13 2wvy h TRP 353 N 0.00 0.00 0.01 -0.55 7.01 -1.82 -0.75 115.95 119.86 2wvy h TRP 353 Ca -0.00 0.00 -0.30 0.00 2.11 0.00 0.00 58.89 60.70 2wvy h TRP 353 Cb 0.16 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.18 2wvy h TRP 353 CO 0.00 0.00 -1.66 -3.47 -2.79 0.00 0.00 178.44 170.52 2wvy n ASP 354 N -4.20 1.91 0.06 2.65 -0.08 -0.19 -4.67 116.55 112.03 2wvy n ASP 354 Ca 0.09 0.37 0.13 0.00 -1.51 0.00 0.00 54.79 53.86 2wvy n ASP 354 Cb 0.59 -0.91 0.34 0.00 2.34 0.00 0.00 41.12 43.48 2wvy n ASP 354 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2wvy n THR 355 N -4.27 0.33 0.24 5.18 -2.24 -0.50 -3.51 114.28 109.51 2wvy n THR 355 Ca -0.38 -0.19 0.09 0.00 -2.27 0.00 0.00 64.05 61.30 2wvy n THR 355 Cb 0.77 -0.31 0.62 0.00 -2.10 0.00 0.00 70.33 69.32 2wvy n THR 355 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2wvy h PHE 356 N 0.00 0.00 -0.39 4.78 -5.15 -1.41 -2.30 116.94 112.47 2wvy h PHE 356 Ca 0.00 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.62 2wvy h PHE 356 Cb 0.67 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.83 2wvy h PHE 356 CO 0.00 0.15 -0.35 0.00 -2.00 0.00 0.00 178.31 176.11 2wvy h ARG 357 N 0.00 0.92 0.00 6.09 3.08 -1.81 -3.41 114.38 119.25 2wvy h ARG 357 Ca -0.00 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2wvy h ARG 357 Cb 0.34 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2wvy h ARG 357 CO 0.02 1.13 0.00 0.00 -1.07 0.00 0.00 179.97 180.05 2wvy n ALA 358 N -2.54 0.98 0.24 0.04 0.00 -1.24 -4.75 120.51 113.24 2wvy n ALA 358 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.26 2wvy n ALA 358 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 2wvy n ALA 358 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wvy h VAL 359 N 0.00 0.53 -0.22 0.00 2.07 -1.83 0.20 116.25 117.00 2wvy h VAL 359 Ca 0.00 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 2wvy h VAL 359 Cb 0.00 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2wvy h VAL 359 CO 0.00 0.00 -0.48 0.45 0.02 0.00 0.00 177.57 177.56 2wvy h HIS 360 N -0.59 0.72 -1.00 1.57 3.86 -1.69 -2.04 115.15 115.99 2wvy h HIS 360 Ca -0.05 -0.23 0.07 0.00 -1.16 0.00 0.00 60.37 59.00 2wvy h HIS 360 Cb 0.48 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 28.73 2wvy h HIS 360 CO -0.08 0.96 0.64 -1.35 0.86 0.00 0.00 177.93 178.96 2wvy h PRO 361 N 0.47 1.10 -0.87 2.45 0.11 -1.78 0.71 132.00 134.20 2wvy h PRO 361 Ca 0.03 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.08 2wvy h PRO 361 Cb 1.01 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.82 2wvy h PRO 361 CO 0.09 0.73 0.58 1.25 -0.21 0.00 0.00 178.00 180.44 2wvy h LEU 362 N 1.14 1.01 -0.68 2.35 5.85 -0.39 -2.26 115.31 122.32 2wvy h LEU 362 Ca 0.44 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 59.10 2wvy h LEU 362 Cb 0.23 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2wvy h LEU 362 CO -0.19 0.73 0.30 -0.26 -0.34 0.00 0.00 178.44 178.68 2wvy h PHE 363 N 1.19 1.01 0.00 1.25 0.04 -0.37 -1.09 116.94 118.97 2wvy h PHE 363 Ca 0.32 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 61.01 2wvy h PHE 363 Cb -0.13 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 37.71 2wvy h PHE 363 CO -0.01 0.77 -0.09 1.79 -0.60 0.00 0.00 178.31 180.17 2wvy h THR 364 N 0.96 0.85 0.00 -1.55 1.35 -0.37 0.23 112.91 114.38 2wvy h THR 364 Ca 0.23 -0.33 -0.03 0.00 -0.55 0.00 0.00 66.41 65.73 2wvy h THR 364 Cb 0.17 1.19 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 2wvy h THR 364 CO -0.02 0.09 -0.40 0.25 -0.25 0.00 0.00 175.52 175.18 2wvy h LEU 365 N 0.00 0.00 0.00 3.87 5.85 -1.16 -3.39 115.31 120.48 2wvy h LEU 365 Ca -0.00 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 2wvy h LEU 365 Cb 0.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2wvy h LEU 365 CO 0.01 0.80 -2.00 0.18 -0.34 0.00 0.00 178.44 177.09 2wvy n LEU 366 N -4.64 0.00 -2.73 2.25 4.77 -0.44 -4.61 117.00 111.60 2wvy n LEU 366 Ca -0.09 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.74 2wvy n LEU 366 Cb 0.26 0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 2wvy n LEU 366 CO 0.11 0.03 -0.06 -1.22 -1.33 0.00 0.00 177.39 174.91 2wvy n TYR 367 N -2.27 1.59 0.31 -1.77 4.01 0.61 -4.94 117.16 114.70 2wvy n TYR 367 Ca -0.06 -3.10 0.18 0.00 -0.16 0.00 0.00 57.90 54.77 2wvy n TYR 367 Cb 0.59 -0.34 0.98 0.00 -0.31 0.00 0.00 39.34 40.27 2wvy n TYR 367 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2wvy h PRO 368 N 2.92 0.00 0.00 -0.72 0.13 -1.17 0.12 132.00 133.27 2wvy h PRO 368 Ca 0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 2wvy h PRO 368 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 2wvy h PRO 368 CO 0.59 0.03 -0.08 1.05 -0.23 0.00 0.00 178.00 179.35 2wvy h GLU 369 N 0.00 0.00 0.07 0.86 9.09 -1.92 0.45 114.58 123.13 2wvy h GLU 369 Ca -0.00 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.31 2wvy h GLU 369 Cb 0.13 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.24 2wvy h GLU 369 CO 0.00 0.08 -0.45 0.28 0.05 0.00 0.00 179.01 178.98 2wvy h VAL 370 N 0.00 1.62 -0.95 -1.06 2.07 -1.30 -3.23 116.25 113.40 2wvy h VAL 370 Ca -0.00 -2.38 0.14 0.00 0.82 0.00 0.00 66.70 65.27 2wvy h VAL 370 Cb 0.35 3.20 -0.08 0.00 -1.52 0.00 0.00 31.29 33.24 2wvy h VAL 370 CO 0.01 0.65 0.60 0.28 0.02 0.00 0.00 177.57 179.14 2wvy h SER 371 N -0.60 0.79 -0.77 0.57 0.02 -1.47 0.16 113.55 112.26 2wvy h SER 371 Ca -0.08 0.05 0.12 0.00 -0.84 0.00 0.00 61.79 61.04 2wvy h SER 371 Cb 1.33 -0.11 -0.08 0.00 0.14 0.00 0.00 62.40 63.67 2wvy h SER 371 CO 0.08 0.40 0.37 -0.33 -1.14 0.00 0.00 176.83 176.22 2wvy h GLU 372 N 0.84 0.57 0.16 3.45 5.08 -0.97 -0.95 114.58 122.77 2wvy h GLU 372 Ca 0.48 -0.03 -0.32 0.00 -1.00 0.00 0.00 59.36 58.49 2wvy h GLU 372 Cb 0.62 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2wvy h GLU 372 CO -0.25 0.38 -1.56 0.00 -1.00 0.00 0.00 179.01 176.59 2wvy h ARG 373 N 0.59 0.33 -0.65 2.33 3.08 -1.26 -3.25 114.38 115.56 2wvy h ARG 373 Ca 0.40 -0.57 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 2wvy h ARG 373 Cb 0.50 0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 2wvy h ARG 373 CO -0.32 1.23 0.40 0.28 -1.07 0.00 0.00 179.97 180.49 2wvy h VAL 374 N 0.09 1.18 -0.56 2.04 2.07 -0.52 -1.13 116.25 119.43 2wvy h VAL 374 Ca -0.26 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 2wvy h VAL 374 Cb 2.06 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 2wvy h VAL 374 CO 0.19 0.18 0.28 0.71 0.02 0.00 0.00 177.57 178.95 2wvy h THR 375 N 0.88 1.20 -0.81 2.57 1.35 -1.30 -1.90 112.91 114.90 2wvy h THR 375 Ca 0.23 -0.55 -0.05 0.00 -0.55 0.00 0.00 66.41 65.50 2wvy h THR 375 Cb -0.05 0.53 -0.04 0.00 -1.73 0.00 0.00 68.15 66.87 2wvy h THR 375 CO -0.05 0.22 0.33 1.56 -0.25 0.00 0.00 175.52 177.33 2wvy h GLN 376 N 0.75 1.20 -0.23 4.72 4.20 -1.54 -2.62 115.11 121.59 2wvy h GLN 376 Ca 0.19 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2wvy h GLN 376 Cb 0.10 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2wvy h GLN 376 CO -0.03 0.97 0.06 0.77 -0.67 0.00 0.00 178.83 179.93 2wvy h SER 377 N 1.17 0.29 -0.25 1.46 0.02 -0.85 0.22 113.55 115.62 2wvy h SER 377 Ca 0.27 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 2wvy h SER 377 Cb 0.21 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2wvy h SER 377 CO -0.02 0.30 0.04 0.40 -1.14 0.00 0.00 176.83 176.40 2wvy h ILE 378 N 0.33 1.23 -0.62 3.27 2.04 -0.99 0.06 117.51 122.84 2wvy h ILE 378 Ca 0.08 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.08 2wvy h ILE 378 Cb 0.12 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 2wvy h ILE 378 CO -0.00 0.25 0.09 0.40 0.00 0.00 0.00 178.15 178.89 2wvy h ILE 379 N 0.22 1.25 -0.80 -0.67 1.08 -1.18 -1.82 117.51 115.59 2wvy h ILE 379 Ca 0.07 -1.00 0.05 0.00 -0.39 0.00 0.00 64.86 63.60 2wvy h ILE 379 Cb 0.34 0.68 -0.06 0.00 -3.07 0.00 0.00 36.82 34.71 2wvy h ILE 379 CO 0.01 0.37 0.50 0.78 -0.69 0.00 0.00 178.15 179.11 2wvy h ASN 380 N 0.95 0.79 -0.60 1.72 2.35 -0.25 -0.17 115.58 120.36 2wvy h ASN 380 Ca 0.19 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.88 2wvy h ASN 380 Cb 0.42 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 2wvy h ASN 380 CO 0.01 0.52 0.09 0.00 -1.65 0.00 0.00 177.43 176.40 2wvy h ALA 381 N 1.37 0.80 -0.68 -0.83 0.00 -0.56 -0.86 119.26 118.50 2wvy h ALA 381 Ca 0.34 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2wvy h ALA 381 Cb 0.12 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2wvy h ALA 381 CO -0.15 0.56 0.40 -0.92 0.00 0.00 0.00 179.25 179.14 2wvy h TYR 382 N 0.90 0.75 -0.11 0.00 3.20 -0.88 -0.83 116.97 120.00 2wvy h TYR 382 Ca 0.18 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 2wvy h TYR 382 Cb 0.44 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2wvy h TYR 382 CO 0.03 0.40 -0.21 -0.91 -1.64 0.00 0.00 178.16 175.84 2wvy h ASN 383 N 0.77 0.19 1.10 -2.11 2.35 -0.52 0.36 115.58 117.71 2wvy h ASN 383 Ca 0.28 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2wvy h ASN 383 Cb 0.09 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2wvy h ASN 383 CO -0.14 0.41 -0.73 -0.33 -1.65 0.00 0.00 177.43 174.99 2wvy h GLU 384 N 0.18 0.00 0.00 0.81 5.08 -0.77 -3.40 114.58 116.48 2wvy h GLU 384 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wvy h GLU 384 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2wvy h GLU 384 CO 0.03 0.00 -0.34 -1.13 -1.00 0.00 0.00 179.01 176.57 2wvy n SER 385 N -2.55 1.69 0.00 1.42 3.41 -0.35 -4.34 113.62 112.90 2wvy n SER 385 Ca 0.02 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2wvy n SER 385 Cb 0.51 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 2wvy n SER 385 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wvy n GLY 386 N 0.92 0.85 2.97 5.00 0.00 0.13 -5.04 105.19 110.01 2wvy n GLY 386 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2wvy n GLY 386 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wvy s PHE 387 N -2.40 0.21 0.40 1.61 0.08 -1.24 -4.98 117.98 111.67 2wvy s PHE 387 Ca 0.00 -0.44 -0.25 0.00 0.12 0.00 0.00 56.93 56.37 2wvy s PHE 387 Cb 0.00 -0.16 -0.09 0.00 -0.57 0.00 0.00 43.02 42.21 2wvy s PHE 387 CO 0.00 -0.17 1.09 -1.64 -0.10 0.00 0.00 175.22 174.40 2wvy s MET 388 N -1.26 4.13 0.63 0.44 -1.94 -1.26 -3.22 119.30 116.81 2wvy s MET 388 Ca -0.14 1.63 -0.15 0.00 -1.71 0.00 0.00 55.69 55.32 2wvy s MET 388 Cb -0.09 -2.60 -0.02 0.00 2.01 0.00 0.00 34.83 34.14 2wvy s MET 388 CO -0.01 -0.20 1.08 -1.25 -0.01 0.00 0.00 175.02 174.63 2wvy s PRO 389 N -2.40 3.07 0.09 2.03 0.04 -1.26 -4.60 135.00 131.97 2wvy s PRO 389 Ca 0.57 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2wvy s PRO 389 Cb -0.25 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2wvy s PRO 389 CO 0.32 -1.01 0.00 0.39 0.04 0.00 0.00 177.00 176.73 2wvy n GLU 390 N -2.33 0.00 -4.07 4.56 -0.58 -1.26 -4.49 120.64 112.46 2wvy n GLU 390 Ca 0.09 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.48 2wvy n GLU 390 Cb 0.53 -0.42 -0.12 0.00 -0.57 0.00 0.00 31.44 30.85 2wvy n GLU 390 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 2wvy s TRP 391 N -1.85 3.06 -0.10 -0.32 -0.00 -1.26 -0.47 118.94 118.00 2wvy s TRP 391 Ca 0.00 -0.41 0.01 0.00 -0.00 0.00 0.00 56.10 55.70 2wvy s TRP 391 Cb 0.00 -2.08 0.02 0.00 -0.00 0.00 0.00 33.47 31.40 2wvy s TRP 391 CO 0.00 -0.20 -0.11 0.00 -0.00 0.00 0.00 176.95 176.64 2wvy s ALA 392 N 0.95 1.40 -0.30 5.86 0.00 -0.48 -1.26 121.76 127.92 2wvy s ALA 392 Ca 0.02 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 2wvy s ALA 392 Cb -0.14 -0.77 0.19 0.00 0.00 0.00 0.00 23.12 22.39 2wvy s ALA 392 CO 0.02 -0.15 0.61 0.45 0.00 0.00 0.00 175.76 176.69 2wvy s SER 393 N 1.17 -1.37 0.36 0.00 0.15 -1.26 -1.07 113.70 111.68 2wvy s SER 393 Ca -0.05 0.84 0.21 0.00 0.70 0.00 0.00 55.95 57.66 2wvy s SER 393 Cb -0.14 2.14 1.29 0.00 -1.71 0.00 0.00 66.02 67.61 2wvy s SER 393 CO -0.03 -0.26 1.49 -0.81 1.20 0.00 0.00 173.24 174.83 2wvy n PRO 394 N 5.43 -0.05 -0.54 5.44 -0.04 -1.26 -4.51 135.00 139.46 2wvy n PRO 394 Ca -0.01 1.28 0.00 0.00 -0.04 0.00 0.00 63.50 64.73 2wvy n PRO 394 Cb 0.51 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 2wvy n PRO 394 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wvy n GLY 395 N -1.28 2.43 3.65 0.55 0.00 0.78 -4.71 105.19 106.61 2wvy n GLY 395 Ca 0.36 -2.09 -0.48 0.00 0.00 0.00 0.00 46.02 43.82 2wvy n GLY 395 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wvy n HIS 396 N -0.43 2.11 -4.82 1.61 8.25 -1.26 -4.34 115.22 116.35 2wvy n HIS 396 Ca 0.00 0.33 -0.25 0.00 -0.26 0.00 0.00 57.72 57.54 2wvy n HIS 396 Cb 0.00 -2.51 -0.15 0.00 1.12 0.00 0.00 29.99 28.45 2wvy n HIS 396 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2wvy s ARG 397 N 1.22 1.45 -0.78 -0.41 1.81 -0.39 -4.05 118.95 117.80 2wvy s ARG 397 Ca 0.82 -0.61 -0.26 0.00 -1.72 0.00 0.00 55.73 53.96 2wvy s ARG 397 Cb -0.75 -1.37 0.04 0.00 -0.45 0.00 0.00 34.95 32.42 2wvy s ARG 397 CO 0.42 0.35 1.27 0.20 -0.68 0.00 0.00 175.30 176.86 2wvy s GLY 398 N -0.33 1.01 -0.28 -3.53 0.00 -1.26 -4.37 107.32 98.57 2wvy s GLY 398 Ca 0.05 -1.59 -0.18 0.00 0.00 0.00 0.00 44.72 43.00 2wvy s GLY 398 CO -0.00 2.58 0.70 0.00 0.00 0.00 0.00 173.10 176.38 2wvy n MET 400 N 3.88 0.00 -4.03 0.00 2.81 -1.26 -4.53 117.12 113.98 2wvy n MET 400 Ca -0.18 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.59 2wvy n MET 400 Cb 0.58 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 33.04 2wvy n MET 400 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 2wvy s ILE 401 N 0.00 0.00 0.00 2.02 -4.36 -1.26 -4.61 121.20 112.99 2wvy s ILE 401 Ca 0.00 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 58.90 2wvy s ILE 401 Cb 0.00 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.26 2wvy s ILE 401 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 2wvy n GLY 402 N -0.46 0.24 2.40 6.27 0.00 -1.26 -4.62 105.19 107.77 2wvy n GLY 402 Ca -0.01 -1.93 -0.22 0.00 0.00 0.00 0.00 46.02 43.86 2wvy n GLY 402 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wvy n ASN 403 N -0.40 4.14 0.00 1.61 3.02 -1.26 -4.86 115.26 117.50 2wvy n ASN 403 Ca 0.00 -3.49 0.10 0.00 -0.03 0.00 0.00 54.58 51.17 2wvy n ASN 403 Cb 0.00 -0.44 0.50 0.00 -0.61 0.00 0.00 39.78 39.24 2wvy n ASN 403 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wvy n ASN 404 N -0.49 0.00 -0.34 6.41 4.13 -1.26 -0.91 115.26 122.79 2wvy n ASN 404 Ca 0.34 0.13 0.15 0.00 1.68 0.00 0.00 54.58 56.89 2wvy n ASN 404 Cb 0.77 -0.35 0.35 0.00 -1.54 0.00 0.00 39.78 39.01 2wvy n ASN 404 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2wvy h SER 405 N 0.00 0.63 -0.70 6.41 4.64 -1.89 -1.44 113.55 121.19 2wvy h SER 405 Ca 0.00 0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 2wvy h SER 405 Cb 0.24 0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 2wvy h SER 405 CO 0.00 0.13 0.35 0.58 -0.87 0.00 0.00 176.83 177.01 2wvy h VAL 406 N 0.59 1.23 -0.35 0.95 2.07 -1.40 -2.97 116.25 116.36 2wvy h VAL 406 Ca 0.61 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2wvy h VAL 406 Cb 1.09 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2wvy h VAL 406 CO -0.46 0.27 0.17 -1.28 0.02 0.00 0.00 177.57 176.29 2wvy h SER 407 N 0.98 0.25 -0.27 0.57 0.87 -1.41 -0.86 113.55 113.68 2wvy h SER 407 Ca 0.24 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.88 2wvy h SER 407 Cb 0.10 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 61.97 2wvy h SER 407 CO -0.03 0.19 -0.11 -0.07 -0.53 0.00 0.00 176.83 176.27 2wvy h LEU 408 N 0.36 -0.39 0.08 2.23 4.07 -1.36 0.24 115.31 120.54 2wvy h LEU 408 Ca 0.15 0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.20 2wvy h LEU 408 Cb 0.06 0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.03 2wvy h LEU 408 CO -0.11 -0.14 -0.04 -0.07 -1.08 0.00 0.00 178.44 177.00 2wvy h LEU 409 N -0.07 -0.09 -0.29 1.67 3.38 -1.31 -2.26 115.31 116.35 2wvy h LEU 409 Ca 0.14 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2wvy h LEU 409 Cb 0.28 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2wvy h LEU 409 CO -0.32 0.04 -0.24 0.58 0.09 0.00 0.00 178.44 178.60 2wvy h VAL 410 N -0.22 1.30 -0.45 1.22 2.07 -1.06 -0.23 116.25 118.88 2wvy h VAL 410 Ca -0.01 -1.39 0.03 0.00 0.82 0.00 0.00 66.70 66.15 2wvy h VAL 410 Cb 0.19 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 2wvy h VAL 410 CO 0.02 0.44 0.24 -0.78 0.02 0.00 0.00 177.57 177.51 2wvy h ASP 411 N 0.40 0.36 -0.41 0.57 3.58 -0.55 0.97 116.42 121.34 2wvy h ASP 411 Ca 0.05 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 2wvy h ASP 411 Cb 0.79 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 2wvy h ASP 411 CO 0.06 0.26 0.21 0.00 -2.88 0.00 0.00 179.24 176.89 2wvy h ALA 412 N 1.23 0.53 -0.17 -0.78 0.00 -1.36 -2.80 119.26 115.90 2wvy h ALA 412 Ca 0.19 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2wvy h ALA 412 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2wvy h ALA 412 CO -0.12 0.08 0.02 2.35 0.00 0.00 0.00 179.25 181.57 2wvy h TRP 413 N 0.53 0.02 0.00 0.00 2.91 -0.38 0.36 115.95 119.41 2wvy h TRP 413 Ca 0.14 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.18 2wvy h TRP 413 Cb 0.09 0.01 0.00 0.00 -0.51 0.00 0.00 29.16 28.75 2wvy h TRP 413 CO -0.02 -0.00 0.00 -1.33 -1.03 0.00 0.00 178.44 176.06 2wvy n MET 414 N -5.11 0.14 -0.25 2.65 0.00 0.28 -0.87 117.12 113.96 2wvy n MET 414 Ca -0.03 0.16 0.11 0.00 0.00 0.00 0.00 57.70 57.93 2wvy n MET 414 Cb 0.09 -1.50 0.24 0.00 0.00 0.00 0.00 33.22 32.05 2wvy n MET 414 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2wvy n LYS 415 N -1.38 2.56 -0.63 0.03 5.02 -0.75 -4.78 118.16 118.24 2wvy n LYS 415 Ca 0.06 -2.35 0.00 0.00 -2.02 0.00 0.00 58.31 54.00 2wvy n LYS 415 Cb 0.16 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 2wvy n LYS 415 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wvy n GLY 416 N 1.36 0.68 3.46 0.72 0.00 -0.05 -5.02 105.19 106.34 2wvy n GLY 416 Ca 0.20 -0.07 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 2wvy n GLY 416 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wvy s ILE 417 N -2.00 4.85 -0.41 -0.61 1.01 0.04 -4.97 121.20 119.12 2wvy s ILE 417 Ca 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.31 2wvy s ILE 417 Cb 0.00 -4.29 0.16 0.00 0.01 0.00 0.00 42.46 38.34 2wvy s ILE 417 CO 0.00 -0.78 0.29 -1.10 0.00 0.00 0.00 174.94 173.36 2wvy s GLN 418 N 2.70 0.92 0.00 2.79 -0.21 -1.26 -3.13 119.66 121.46 2wvy s GLN 418 Ca 0.17 -1.90 0.08 0.00 0.02 0.00 0.00 55.36 53.73 2wvy s GLN 418 Cb -0.18 -1.60 0.04 0.00 1.00 0.00 0.00 33.01 32.27 2wvy s GLN 418 CO 0.13 -1.30 0.68 0.25 -2.12 0.00 0.00 175.29 172.93 2wvy n THR 419 N 3.28 0.00 -4.17 -0.19 -2.24 -1.26 -5.00 114.28 104.70 2wvy n THR 419 Ca 0.21 -0.46 -0.24 0.00 -2.27 0.00 0.00 64.05 61.29 2wvy n THR 419 Cb 0.42 1.14 -0.06 0.00 -2.10 0.00 0.00 70.33 69.73 2wvy n THR 419 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2wvy s VAL 420 N -0.94 4.09 0.08 2.28 -7.23 -1.26 -4.89 120.40 112.53 2wvy s VAL 420 Ca 0.09 -1.45 -0.31 0.00 -1.81 0.00 0.00 61.98 58.50 2wvy s VAL 420 Cb 0.07 -3.15 -0.08 0.00 0.56 0.00 0.00 36.38 33.78 2wvy s VAL 420 CO 0.15 -0.25 1.67 -0.62 -0.31 0.00 0.00 175.10 175.74 2wvy s ASP 421 N -3.46 6.59 0.16 4.85 2.15 -1.26 -4.93 116.67 120.76 2wvy s ASP 421 Ca 0.31 2.51 -0.16 0.00 0.43 0.00 0.00 52.55 55.64 2wvy s ASP 421 Cb -0.08 -2.56 0.07 0.00 -0.30 0.00 0.00 42.92 40.04 2wvy s ASP 421 CO 0.22 -0.90 1.75 0.00 -0.17 0.00 0.00 175.17 176.08 2wvy h ALA 422 N 8.31 0.43 -0.46 3.66 0.00 -1.99 -0.77 119.26 128.43 2wvy h ALA 422 Ca -0.43 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 2wvy h ALA 422 Cb 1.20 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2wvy h ALA 422 CO 0.93 -0.27 0.14 0.93 0.00 0.00 0.00 179.25 180.98 2wvy h GLU 423 N 0.28 0.72 -0.50 0.00 4.39 -2.00 -1.79 114.58 115.67 2wvy h GLU 423 Ca 0.17 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2wvy h GLU 423 Cb 0.15 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2wvy h GLU 423 CO -0.17 0.69 0.22 -0.22 -1.16 0.00 0.00 179.01 178.37 2wvy h LYS 424 N 0.61 0.74 -0.32 2.33 1.63 -1.94 -1.26 116.57 118.36 2wvy h LYS 424 Ca 0.15 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2wvy h LYS 424 Cb 0.28 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 2wvy h LYS 424 CO -0.00 0.63 0.21 0.00 -3.45 0.00 0.00 179.45 176.84 2wvy h ALA 425 N 1.07 0.40 -0.54 5.00 0.00 -0.92 -0.52 119.26 123.74 2wvy h ALA 425 Ca 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2wvy h ALA 425 Cb 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2wvy h ALA 425 CO -0.02 -0.12 0.28 1.25 0.00 0.00 0.00 179.25 180.64 2wvy h LEU 426 N 0.42 0.69 -0.35 0.00 5.85 -1.21 -0.52 115.31 120.19 2wvy h LEU 426 Ca 0.12 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2wvy h LEU 426 Cb -0.04 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 2wvy h LEU 426 CO -0.02 0.61 0.07 -0.08 -0.34 0.00 0.00 178.44 178.67 2wvy h GLU 427 N 0.73 0.18 -0.87 1.25 4.81 -1.01 -0.84 114.58 118.83 2wvy h GLU 427 Ca 0.19 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2wvy h GLU 427 Cb 0.08 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 2wvy h GLU 427 CO -0.03 0.12 0.56 0.00 -0.73 0.00 0.00 179.01 178.93 2wvy h ALA 428 N 1.26 1.11 -0.05 2.92 0.00 -0.56 -0.33 119.26 123.61 2wvy h ALA 428 Ca 0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wvy h ALA 428 Cb 0.19 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2wvy h ALA 428 CO -0.22 0.53 0.01 0.52 0.00 0.00 0.00 179.25 180.09 2wvy h MET 429 N 1.19 0.08 -0.33 0.00 2.86 -0.77 -1.14 114.93 116.81 2wvy h MET 429 Ca 0.32 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.92 2wvy h MET 429 Cb -0.11 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 2wvy h MET 429 CO -0.07 0.27 0.13 0.82 1.06 0.00 0.00 176.91 179.13 2wvy h ILE 430 N -0.13 1.19 -0.99 -1.22 2.04 -1.00 -2.29 117.51 115.11 2wvy h ILE 430 Ca 0.02 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.36 2wvy h ILE 430 Cb 0.23 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 2wvy h ILE 430 CO -0.00 0.20 0.64 -0.74 0.00 0.00 0.00 178.15 178.25 2wvy h HIS 431 N 0.39 1.20 -0.01 1.37 2.76 -1.04 -1.17 115.15 118.64 2wvy h HIS 431 Ca 0.11 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 2wvy h HIS 431 Cb 0.19 -0.40 -0.00 0.00 1.55 0.00 0.00 27.41 28.75 2wvy h HIS 431 CO -0.00 0.66 0.01 0.37 -1.30 0.00 0.00 177.93 177.67 2wvy h GLN 432 N 1.21 0.00 -0.01 5.26 5.75 -0.63 -1.27 115.11 125.41 2wvy h GLN 432 Ca 0.41 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.91 2wvy h GLN 432 Cb 0.07 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.62 2wvy h GLN 432 CO -0.14 0.00 -0.63 0.25 -2.65 0.00 0.00 178.83 175.65 2wvy n THR 433 N -3.90 0.00 -0.23 2.39 -2.24 -0.54 -2.12 114.28 107.63 2wvy n THR 433 Ca -0.03 -0.17 0.03 0.00 -2.27 0.00 0.00 64.05 61.61 2wvy n THR 433 Cb 0.10 1.15 0.06 0.00 -2.10 0.00 0.00 70.33 69.54 2wvy n THR 433 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wvy n GLN 434 N -0.51 2.72 -3.91 -0.78 1.13 -0.54 -4.84 117.38 110.67 2wvy n GLN 434 Ca 0.08 -1.82 -0.08 0.00 -1.94 0.00 0.00 57.00 53.24 2wvy n GLN 434 Cb 0.42 -1.16 -0.03 0.00 0.11 0.00 0.00 30.24 29.58 2wvy n GLN 434 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wvy s ALA 435 N -1.36 -0.85 -0.08 -1.58 0.00 -0.86 -5.01 121.76 112.02 2wvy s ALA 435 Ca 0.11 -0.54 -0.13 0.00 0.00 0.00 0.00 51.96 51.41 2wvy s ALA 435 Cb 0.08 0.92 0.03 0.00 0.00 0.00 0.00 23.12 24.15 2wvy s ALA 435 CO 0.04 -0.97 0.32 0.50 0.00 0.00 0.00 175.76 175.65 2wvy s ARG 436 N -3.86 0.49 0.41 0.00 3.52 -1.26 -0.99 118.95 117.26 2wvy s ARG 436 Ca 0.15 0.21 -0.25 0.00 -0.13 0.00 0.00 55.73 55.71 2wvy s ARG 436 Cb -0.04 0.23 -0.11 0.00 -1.56 0.00 0.00 34.95 33.47 2wvy s ARG 436 CO 0.08 -0.10 1.16 1.58 -0.81 0.00 0.00 175.30 177.21 2wvy n HIS 437 N 2.29 1.73 0.08 5.12 -0.00 0.18 -4.88 115.22 119.73 2wvy n HIS 437 Ca -0.16 0.54 0.03 0.00 -0.00 0.00 0.00 57.72 58.13 2wvy n HIS 437 Cb 0.57 -2.32 0.41 0.00 -0.00 0.00 0.00 29.99 28.65 2wvy n HIS 437 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2wvy h ALA 438 N 1.91 1.58 0.00 1.57 0.00 -2.01 -3.34 119.26 118.97 2wvy h ALA 438 Ca -0.46 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.14 2wvy h ALA 438 Cb 1.31 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2wvy h ALA 438 CO 0.59 0.31 -1.64 0.39 0.00 0.00 0.00 179.25 178.91 2wvy n GLU 439 N -4.35 1.41 -3.54 0.00 -0.58 -1.26 -4.94 120.64 107.39 2wvy n GLU 439 Ca 0.00 0.03 -0.42 0.00 -0.42 0.00 0.00 57.16 56.36 2wvy n GLU 439 Cb 0.20 -1.23 -0.10 0.00 -0.57 0.00 0.00 31.44 29.74 2wvy n GLU 439 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2wvy s ILE 440 N -2.22 4.74 0.49 -3.67 1.01 -1.25 -4.96 121.20 115.34 2wvy s ILE 440 Ca -0.10 -0.98 0.15 0.00 0.00 0.00 0.00 60.65 59.72 2wvy s ILE 440 Cb 0.03 -3.73 0.25 0.00 0.01 0.00 0.00 42.46 39.02 2wvy s ILE 440 CO 0.32 -0.37 2.10 0.00 0.00 0.00 0.00 174.94 176.99 2wvy h ALA 441 N 8.52 1.90 -0.00 9.38 0.00 -1.92 -2.30 119.26 134.84 2wvy h ALA 441 Ca -0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wvy h ALA 441 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2wvy h ALA 441 CO 0.74 0.08 -0.02 -1.13 0.00 0.00 0.00 179.25 178.92 2wvy n SER 442 N -4.49 0.06 -4.46 0.00 3.41 -1.26 -3.92 113.62 102.97 2wvy n SER 442 Ca -0.02 -0.24 -0.43 0.00 -0.26 0.00 0.00 58.87 57.91 2wvy n SER 442 Cb 0.12 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 63.73 2wvy n SER 442 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wvy s VAL 443 N -2.53 5.24 0.00 -3.33 1.01 -0.86 -4.69 120.40 115.23 2wvy s VAL 443 Ca 0.29 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2wvy s VAL 443 Cb 0.20 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2wvy s VAL 443 CO 0.46 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2wvy n GLY 444 N 5.16 -0.09 3.00 4.51 0.00 -1.26 -0.65 105.19 115.86 2wvy n GLY 444 Ca -0.11 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 2wvy n GLY 444 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wvy s ARG 445 N 0.00 1.52 0.13 1.61 3.52 -0.16 -4.82 118.95 120.75 2wvy s ARG 445 Ca 0.00 -1.96 -0.32 0.00 -0.13 0.00 0.00 55.73 53.32 2wvy s ARG 445 Cb 0.00 -3.19 -0.12 0.00 -1.56 0.00 0.00 34.95 30.08 2wvy s ARG 445 CO 0.00 -0.96 1.76 -3.47 -0.81 0.00 0.00 175.30 171.81 2wvy n ASP 446 N 4.12 3.76 -0.29 -2.12 2.03 -1.25 -2.09 116.55 120.71 2wvy n ASP 446 Ca 0.04 1.02 -0.03 0.00 0.52 0.00 0.00 54.79 56.34 2wvy n ASP 446 Cb 0.41 -1.51 -0.01 0.00 -0.72 0.00 0.00 41.12 39.29 2wvy n ASP 446 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wvy n GLY 447 N 4.00 0.52 0.35 0.27 0.00 -1.26 -4.95 105.19 104.13 2wvy n GLY 447 Ca 0.18 -0.87 0.06 0.00 0.00 0.00 0.00 46.02 45.38 2wvy n GLY 447 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wvy h PHE 448 N 0.00 0.80 0.19 1.61 -5.15 -1.75 -2.28 116.94 110.35 2wvy h PHE 448 Ca -0.07 0.02 -0.01 0.00 -0.20 0.00 0.00 57.97 57.71 2wvy h PHE 448 Cb 0.46 -0.26 0.00 0.00 0.22 0.00 0.00 35.95 36.37 2wvy h PHE 448 CO 0.09 0.43 -0.09 0.93 -2.00 0.00 0.00 178.31 177.67 2wvy h GLU 449 N 0.79 -0.25 -0.96 6.09 3.07 -1.92 0.36 114.58 121.77 2wvy h GLU 449 Ca 0.32 0.02 0.08 0.00 -0.50 0.00 0.00 59.36 59.28 2wvy h GLU 449 Cb 0.23 0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.13 2wvy h GLU 449 CO -0.11 -0.12 0.60 1.88 -1.40 0.00 0.00 179.01 179.87 2wvy h TYR 450 N -0.32 1.11 -0.31 4.33 0.05 -1.81 -1.68 116.97 118.35 2wvy h TYR 450 Ca -0.03 0.03 -0.17 0.00 0.05 0.00 0.00 58.73 58.61 2wvy h TYR 450 Cb 0.24 -0.36 -0.00 0.00 1.01 0.00 0.00 36.73 37.62 2wvy h TYR 450 CO -0.05 0.53 -0.49 -0.92 -1.05 0.00 0.00 178.16 176.18 2wvy h TYR 451 N 1.05 1.05 -0.02 4.88 3.20 -0.87 1.21 116.97 127.47 2wvy h TYR 451 Ca 0.43 -0.35 -0.13 0.00 3.14 0.00 0.00 58.73 61.82 2wvy h TYR 451 Cb 0.27 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 2wvy h TYR 451 CO -0.01 1.17 -0.58 -0.44 -1.64 0.00 0.00 178.16 176.65 2wvy h ASP 452 N 0.67 0.07 0.07 -2.11 3.32 -0.75 -1.87 116.42 115.82 2wvy h ASP 452 Ca 0.03 -0.04 -0.22 0.00 0.02 0.00 0.00 57.03 56.82 2wvy h ASP 452 Cb 1.09 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 2wvy h ASP 452 CO 0.11 0.64 -1.12 0.50 -1.72 0.00 0.00 179.24 177.65 2wvy h LYS 453 N 0.05 0.15 0.00 3.56 1.63 -0.94 -3.41 116.57 117.61 2wvy h LYS 453 Ca -0.01 -0.26 -0.17 0.00 -0.85 0.00 0.00 60.65 59.36 2wvy h LYS 453 Cb 1.04 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.74 2wvy h LYS 453 CO 0.08 1.13 -1.75 1.28 -3.45 0.00 0.00 179.45 176.74 2wvy n LEU 454 N -4.15 0.47 0.00 5.20 4.77 0.41 -4.97 117.00 118.73 2wvy n LEU 454 Ca -0.24 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2wvy n LEU 454 Cb 0.78 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 2wvy n LEU 454 CO 0.35 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 2wvy n GLY 455 N 1.44 0.65 3.62 -0.72 0.00 -0.70 -5.03 105.19 104.44 2wvy n GLY 455 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 2wvy n GLY 455 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wvy s TYR 456 N -2.42 -0.28 -0.12 1.61 -0.85 -1.25 -4.74 117.35 109.30 2wvy s TYR 456 Ca 0.00 0.03 -0.17 0.00 -0.52 0.00 0.00 57.07 56.41 2wvy s TYR 456 Cb 0.00 0.60 -0.04 0.00 0.38 0.00 0.00 41.96 42.89 2wvy s TYR 456 CO 0.00 -0.78 0.44 0.08 -1.52 0.00 0.00 175.55 173.77 2wvy s VAL 457 N -3.38 5.20 0.22 -3.49 1.01 -1.26 -3.53 120.40 115.17 2wvy s VAL 457 Ca 0.08 0.87 -0.09 0.00 0.00 0.00 0.00 61.98 62.84 2wvy s VAL 457 Cb -0.02 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 2wvy s VAL 457 CO -0.04 0.36 0.53 -2.16 0.00 0.00 0.00 175.10 173.79 2wvy s PRO 458 N 0.46 3.78 -0.21 2.72 0.04 -1.26 -4.41 135.00 136.12 2wvy s PRO 458 Ca 0.24 0.23 -0.00 0.00 0.04 0.00 0.00 61.00 61.51 2wvy s PRO 458 Cb -0.15 -2.67 0.05 0.00 0.04 0.00 0.00 34.50 31.77 2wvy s PRO 458 CO 0.09 0.34 -0.05 -0.47 0.04 0.00 0.00 177.00 176.95 2wvy s TYR 459 N -1.79 2.05 0.00 0.56 5.04 -0.40 -1.79 117.35 121.02 2wvy s TYR 459 Ca 0.46 -1.46 0.00 0.00 -2.44 0.00 0.00 57.07 53.64 2wvy s TYR 459 Cb -0.11 -1.45 0.00 0.00 0.35 0.00 0.00 41.96 40.75 2wvy s TYR 459 CO 0.22 -0.71 0.75 -0.35 -1.34 0.00 0.00 175.55 174.12 2wvy n PRO 460 N 4.77 1.20 -0.23 4.97 -0.04 -1.26 -3.80 135.00 140.60 2wvy n PRO 460 Ca -0.12 -1.02 0.03 0.00 -0.04 0.00 0.00 63.50 62.35 2wvy n PRO 460 Cb 0.46 -0.97 0.27 0.00 -0.04 0.00 0.00 33.50 33.21 2wvy n PRO 460 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2wvy h GLU 461 N 0.00 0.93 -4.43 0.54 3.07 -1.94 -3.39 114.58 109.37 2wvy h GLU 461 Ca 0.00 -0.06 -0.52 0.00 -0.50 0.00 0.00 59.36 58.29 2wvy h GLU 461 Cb 0.32 -0.21 -0.35 0.00 -0.84 0.00 0.00 28.75 27.67 2wvy h GLU 461 CO 0.00 0.62 -0.81 0.08 -1.40 0.00 0.00 179.01 177.50 2wvy s VAL 462 N -5.83 1.09 0.35 3.13 1.01 -0.74 -5.08 120.40 114.34 2wvy s VAL 462 Ca -0.11 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 2wvy s VAL 462 Cb 0.19 -1.04 -0.11 0.00 0.00 0.00 0.00 36.38 35.42 2wvy s VAL 462 CO 0.78 0.36 1.52 -2.84 0.00 0.00 0.00 175.10 174.92 2wvy s PRO 463 N 1.03 4.12 -1.55 2.72 0.02 -1.26 -2.72 135.00 137.36 2wvy s PRO 463 Ca -0.08 2.57 -0.01 0.00 0.02 0.00 0.00 61.00 63.50 2wvy s PRO 463 Cb -0.15 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.39 2wvy s PRO 463 CO -0.01 -0.56 0.15 0.39 -0.33 0.00 0.00 177.00 176.64 2wvy n GLU 464 N 0.99 -2.29 -0.31 5.54 1.02 -0.32 -4.89 120.64 120.38 2wvy n GLU 464 Ca 0.03 0.88 0.05 0.00 -0.02 0.00 0.00 57.16 58.10 2wvy n GLU 464 Cb 0.39 -5.46 0.24 0.00 -0.02 0.00 0.00 31.44 26.59 2wvy n GLU 464 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wvy h ALA 465 N 0.89 1.52 -0.10 0.62 0.00 -1.35 -2.04 119.26 118.81 2wvy h ALA 465 Ca -0.45 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.27 2wvy h ALA 465 Cb 1.33 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.87 2wvy h ALA 465 CO 0.52 0.33 -0.60 1.15 0.00 0.00 0.00 179.25 180.65 2wvy h THR 466 N 1.03 1.35 -0.83 0.00 2.02 -1.42 -0.99 112.91 114.06 2wvy h THR 466 Ca 0.41 -1.91 -0.02 0.00 0.77 0.00 0.00 66.41 65.66 2wvy h THR 466 Cb 0.25 2.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.82 2wvy h THR 466 CO -0.16 0.58 0.43 0.00 0.37 0.00 0.00 175.52 176.73 2wvy h ALA 467 N 0.47 1.07 -0.12 6.16 0.00 -1.29 -1.81 119.26 123.74 2wvy h ALA 467 Ca -0.05 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2wvy h ALA 467 Cb 1.25 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2wvy h ALA 467 CO 0.12 0.61 -0.04 0.87 0.00 0.00 0.00 179.25 180.82 2wvy h LYS 468 N 1.17 -0.01 -0.47 0.00 1.57 -1.35 -1.10 116.57 116.39 2wvy h LYS 468 Ca 0.29 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.16 2wvy h LYS 468 Cb 0.08 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.31 2wvy h LYS 468 CO -0.04 -0.01 -0.01 1.15 -0.57 0.00 0.00 179.45 179.97 2wvy h THR 469 N -0.01 0.63 -0.50 -0.16 2.02 -0.85 0.43 112.91 114.47 2wvy h THR 469 Ca 0.06 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 2wvy h THR 469 Cb 0.10 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 2wvy h THR 469 CO -0.13 0.02 0.25 -0.07 0.37 0.00 0.00 175.52 175.96 2wvy h LEU 470 N 0.10 0.64 -0.64 2.58 3.38 -1.02 -1.05 115.31 119.30 2wvy h LEU 470 Ca 0.23 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 2wvy h LEU 470 Cb 0.35 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2wvy h LEU 470 CO -0.40 0.58 0.14 -0.33 0.09 0.00 0.00 178.44 178.53 2wvy h GLU 471 N 0.66 1.03 -0.47 1.13 4.39 -0.48 -2.94 114.58 117.90 2wvy h GLU 471 Ca 0.17 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 2wvy h GLU 471 Cb 0.10 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 2wvy h GLU 471 CO -0.02 0.94 0.06 1.88 -1.16 0.00 0.00 179.01 180.70 2wvy h TYR 472 N 0.95 0.77 -0.51 4.33 0.05 0.29 -1.70 116.97 121.15 2wvy h TYR 472 Ca 0.20 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.87 2wvy h TYR 472 Cb 0.38 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 2wvy h TYR 472 CO 0.03 0.69 0.22 0.00 -1.05 0.00 0.00 178.16 178.04 2wvy h ALA 473 N 1.36 0.66 -0.58 3.88 0.00 -1.09 0.12 119.26 123.61 2wvy h ALA 473 Ca 0.15 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2wvy h ALA 473 Cb 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2wvy h ALA 473 CO 0.01 0.26 0.07 -0.92 0.00 0.00 0.00 179.25 178.67 2wvy h TYR 474 N 0.69 1.05 -0.61 0.00 3.20 -1.33 -1.68 116.97 118.28 2wvy h TYR 474 Ca 0.17 -0.16 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 2wvy h TYR 474 Cb 0.17 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 2wvy h TYR 474 CO 0.00 0.92 0.25 0.00 -1.64 0.00 0.00 178.16 177.69 2wvy h ALA 475 N 1.00 1.30 -0.35 1.82 0.00 -0.84 -0.86 119.26 121.34 2wvy h ALA 475 Ca 0.17 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2wvy h ALA 475 Cb 0.45 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2wvy h ALA 475 CO 0.02 0.52 -0.40 -0.44 0.00 0.00 0.00 179.25 178.94 2wvy h ASP 476 N 0.87 0.96 -0.72 0.00 3.32 -0.55 -0.89 116.42 119.40 2wvy h ASP 476 Ca 0.21 -0.48 0.08 0.00 0.02 0.00 0.00 57.03 56.86 2wvy h ASP 476 Cb 0.15 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.37 2wvy h ASP 476 CO -0.02 1.25 0.39 -0.25 -1.72 0.00 0.00 179.24 178.89 2wvy h TRP 477 N 0.69 0.70 -0.45 4.55 7.01 -0.99 -1.09 115.95 126.38 2wvy h TRP 477 Ca 0.05 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 2wvy h TRP 477 Cb 1.00 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.83 2wvy h TRP 477 CO 0.07 0.29 0.28 0.00 -2.79 0.00 0.00 178.44 176.29 2wvy h ILE 479 N 0.60 1.20 -0.36 0.00 2.04 -0.82 -1.66 117.51 118.51 2wvy h ILE 479 Ca 0.16 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 2wvy h ILE 479 Cb -0.02 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 2wvy h ILE 479 CO -0.03 0.25 0.12 0.00 0.00 0.00 0.00 178.15 178.48 2wvy h ALA 480 N 1.45 0.47 -0.54 1.87 0.00 -0.54 0.09 119.26 122.05 2wvy h ALA 480 Ca 0.20 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2wvy h ALA 480 Cb 0.14 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2wvy h ALA 480 CO -0.02 0.11 0.27 0.00 0.00 0.00 0.00 179.25 179.61 2wvy h ARG 481 N 0.44 0.51 0.31 0.00 2.47 -0.95 0.18 114.38 117.33 2wvy h ARG 481 Ca 0.12 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.79 2wvy h ARG 481 Cb 0.24 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 2wvy h ARG 481 CO -0.00 0.34 -0.15 0.35 0.56 0.00 0.00 179.97 181.06 2wvy h PHE 482 N 0.53 -0.38 -0.54 3.04 3.57 -0.88 -1.66 116.94 120.61 2wvy h PHE 482 Ca 0.24 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.79 2wvy h PHE 482 Cb 0.16 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 2wvy h PHE 482 CO -0.10 -0.12 0.25 0.00 -2.23 0.00 0.00 178.31 176.11 2wvy h ALA 483 N 0.04 0.69 -0.50 2.41 0.00 -0.82 -2.28 119.26 118.80 2wvy h ALA 483 Ca -0.04 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2wvy h ALA 483 Cb 0.43 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2wvy h ALA 483 CO 0.07 -0.11 0.27 1.49 0.00 0.00 0.00 179.25 180.97 2wvy h GLU 484 N 0.49 0.52 0.00 0.00 4.81 -0.89 -1.13 114.58 118.36 2wvy h GLU 484 Ca 0.24 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2wvy h GLU 484 Cb 0.19 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 2wvy h GLU 484 CO -0.19 0.34 -0.01 0.66 -0.73 0.00 0.00 179.01 179.08 2wvy h SER 485 N 0.53 0.00 0.14 1.04 4.64 -0.75 -0.93 113.55 118.22 2wvy h SER 485 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2wvy h SER 485 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2wvy h SER 485 CO -0.13 0.01 -0.12 0.18 -0.87 0.00 0.00 176.83 175.91 2wvy n LEU 486 N -3.13 1.08 0.00 5.97 4.77 -0.59 -4.93 117.00 120.17 2wvy n LEU 486 Ca -0.01 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 2wvy n LEU 486 Cb 0.23 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2wvy n LEU 486 CO 0.25 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2wvy n GLY 487 N 1.25 0.65 3.27 -0.72 0.00 -0.35 -4.98 105.19 104.29 2wvy n GLY 487 Ca 0.16 -0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 2wvy n GLY 487 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wvy n LYS 488 N -2.69 3.70 0.10 1.61 5.02 -0.53 -4.85 118.16 120.51 2wvy n LYS 488 Ca 0.00 -4.28 -0.03 0.00 -2.02 0.00 0.00 58.31 51.97 2wvy n LYS 488 Cb 0.00 -2.67 0.16 0.00 -0.02 0.00 0.00 35.03 32.50 2wvy n LYS 488 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2wvy h GLN 489 N 6.45 0.19 -0.25 1.97 5.75 -1.89 -1.48 115.11 125.85 2wvy h GLN 489 Ca 0.23 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 58.57 2wvy h GLN 489 Cb 0.80 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 2wvy h GLN 489 CO 1.17 0.70 -0.02 0.22 -2.65 0.00 0.00 178.83 178.25 2wvy h ASP 490 N 0.15 0.45 -0.70 -0.69 3.58 -1.97 -0.08 116.42 117.16 2wvy h ASP 490 Ca -0.00 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.11 2wvy h ASP 490 Cb 1.02 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.92 2wvy h ASP 490 CO 0.08 0.67 0.39 0.40 -2.88 0.00 0.00 179.24 177.90 2wvy h ILE 491 N 0.22 1.21 -0.80 2.25 2.04 -1.92 -1.63 117.51 118.87 2wvy h ILE 491 Ca 0.07 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.43 2wvy h ILE 491 Cb 0.45 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 2wvy h ILE 491 CO 0.02 0.23 0.53 0.00 0.00 0.00 0.00 178.15 178.93 2wvy h ALA 492 N 1.20 1.48 -0.15 1.87 0.00 -1.00 -2.27 119.26 120.39 2wvy h ALA 492 Ca 0.25 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.92 2wvy h ALA 492 Cb 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2wvy h ALA 492 CO -0.04 0.46 -0.68 -0.44 0.00 0.00 0.00 179.25 178.54 2wvy h ASP 493 N 1.03 0.70 -0.59 0.00 3.32 -0.56 0.90 116.42 121.22 2wvy h ASP 493 Ca 0.31 -0.43 0.06 0.00 0.02 0.00 0.00 57.03 56.99 2wvy h ASP 493 Cb -0.03 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.26 2wvy h ASP 493 CO -0.08 1.19 0.28 1.56 -1.72 0.00 0.00 179.24 180.47 2wvy h GLN 494 N 0.43 0.51 0.05 3.56 4.20 -0.87 -1.41 115.11 121.59 2wvy h GLN 494 Ca -0.02 -0.03 -0.23 0.00 0.06 0.00 0.00 58.65 58.43 2wvy h GLN 494 Cb 1.27 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 2wvy h GLN 494 CO 0.13 0.34 -1.06 1.88 -0.67 0.00 0.00 178.83 179.45 2wvy h TYR 495 N 0.53 0.22 0.00 2.96 0.05 -1.22 -3.07 116.97 116.44 2wvy h TYR 495 Ca 0.27 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.89 2wvy h TYR 495 Cb 0.22 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 2wvy h TYR 495 CO -0.11 1.09 -0.06 1.88 -1.05 0.00 0.00 178.16 179.90 2wvy h TYR 496 N 0.04 0.00 0.00 4.88 0.05 -0.61 -0.52 116.97 120.81 2wvy h TYR 496 Ca -0.06 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.70 2wvy h TYR 496 Cb 1.78 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.52 2wvy h TYR 496 CO 0.03 0.06 -0.12 1.96 -1.05 0.00 0.00 178.16 179.04 2wvy h GLN 497 N 0.00 0.00 0.00 4.88 7.50 -1.15 -2.73 115.11 123.61 2wvy h GLN 497 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2wvy h GLN 497 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.65 2wvy h GLN 497 CO 0.01 0.12 -1.04 1.63 -1.50 0.00 0.00 178.83 178.06 2wvy n LYS 498 N -3.35 0.48 -0.20 1.46 5.02 -0.24 -4.37 118.16 116.96 2wvy n LYS 498 Ca -0.00 0.06 0.15 0.00 -2.02 0.00 0.00 58.31 56.49 2wvy n LYS 498 Cb 0.33 -1.72 0.47 0.00 -0.02 0.00 0.00 35.03 34.09 2wvy n LYS 498 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wvy h ALA 499 N 2.22 2.04 -0.34 7.82 0.00 -1.12 -0.22 119.26 129.67 2wvy h ALA 499 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wvy h ALA 499 Cb 0.89 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2wvy h ALA 499 CO 0.00 -0.26 0.00 -0.35 0.00 0.00 0.00 179.25 178.64 2wvy n PRO 500 N -4.50 2.69 0.33 0.00 -0.05 -1.26 -4.33 135.00 127.88 2wvy n PRO 500 Ca 0.15 -1.59 0.20 0.00 -0.05 0.00 0.00 63.50 62.21 2wvy n PRO 500 Cb 0.52 -1.71 1.07 0.00 -0.05 0.00 0.00 33.50 33.33 2wvy n PRO 500 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 175.50 174.54 2wvy h ASN 501 N 2.19 0.00 -0.26 3.54 2.35 -1.30 -0.84 115.58 121.26 2wvy h ASN 501 Ca 0.00 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.82 2wvy h ASN 501 Cb 1.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 2wvy h ASN 501 CO 0.18 0.00 0.27 0.10 -1.65 0.00 0.00 177.43 176.33 2wvy h TYR 502 N 0.00 0.00 0.00 1.19 -0.00 -1.83 -0.72 116.97 115.61 2wvy h TYR 502 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.67 2wvy h TYR 502 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.96 2wvy h TYR 502 CO 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 178.16 177.86 2wvy h ARG 503 N 0.00 0.00 0.00 0.10 3.08 -1.51 -2.87 114.38 113.18 2wvy h ARG 503 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2wvy h ARG 503 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2wvy h ARG 503 CO -0.00 0.30 0.00 0.09 -1.07 0.00 0.00 179.97 179.28 2wvy n ASN 504 N -4.01 0.19 -0.11 7.04 3.02 -0.28 -2.34 115.26 118.77 2wvy n ASN 504 Ca -0.02 0.55 0.01 0.00 -0.03 0.00 0.00 54.58 55.09 2wvy n ASN 504 Cb 0.36 -0.59 0.03 0.00 -0.61 0.00 0.00 39.78 38.97 2wvy n ASN 504 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wvy n LEU 505 N -1.71 2.09 -4.68 3.41 4.77 -1.09 -4.98 117.00 114.81 2wvy n LEU 505 Ca 0.03 -1.92 -0.42 0.00 -0.03 0.00 0.00 56.01 53.67 2wvy n LEU 505 Cb 0.17 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2wvy n LEU 505 CO 0.14 0.52 0.88 -0.47 -1.33 0.00 0.00 177.39 177.13 2wvy s TYR 506 N -0.93 3.35 -0.63 -1.77 5.04 -0.99 -1.17 117.35 120.25 2wvy s TYR 506 Ca 0.04 1.42 -0.18 0.00 -2.44 0.00 0.00 57.07 55.91 2wvy s TYR 506 Cb 0.02 -3.30 0.12 0.00 0.35 0.00 0.00 41.96 39.16 2wvy s TYR 506 CO 0.03 -0.71 0.71 -0.47 -1.34 0.00 0.00 175.55 173.76 2wvy s TYR 507 N 2.28 3.11 0.31 4.97 6.14 0.30 -4.95 117.35 129.50 2wvy s TYR 507 Ca 0.51 -1.13 -0.01 0.00 0.64 0.00 0.00 57.07 57.08 2wvy s TYR 507 Cb -0.20 -3.99 0.49 0.00 0.42 0.00 0.00 41.96 38.68 2wvy s TYR 507 CO 0.18 -1.24 1.96 -1.35 0.64 0.00 0.00 175.55 175.74 2wvy h PRO 508 N 9.00 1.04 -0.64 4.97 0.11 -1.94 0.26 132.00 144.79 2wvy h PRO 508 Ca -0.23 -0.06 0.07 0.00 0.11 0.00 0.00 66.00 65.88 2wvy h PRO 508 Cb 1.08 -0.23 -0.06 0.00 0.11 0.00 0.00 31.00 31.90 2wvy h PRO 508 CO 1.06 0.69 0.33 0.93 -0.21 0.00 0.00 178.00 180.80 2wvy h GLU 509 N 1.07 0.58 0.00 1.05 3.07 -1.96 -3.16 114.58 115.23 2wvy h GLU 509 Ca 0.31 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.10 2wvy h GLU 509 Cb -0.06 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.71 2wvy h GLU 509 CO -0.08 0.38 -1.67 0.72 -1.40 0.00 0.00 179.01 176.97 2wvy n HIS 510 N -4.85 0.38 -1.47 4.33 8.25 -0.60 -5.00 115.22 116.26 2wvy n HIS 510 Ca 0.08 0.11 -0.01 0.00 -0.26 0.00 0.00 57.72 57.65 2wvy n HIS 510 Cb 0.21 -0.73 -0.00 0.00 1.12 0.00 0.00 29.99 30.59 2wvy n HIS 510 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wvy n GLY 511 N 1.28 0.40 3.17 -1.41 0.00 0.80 -5.05 105.19 104.39 2wvy n GLY 511 Ca -0.05 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 2wvy n GLY 511 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wvy s PHE 512 N -2.05 0.97 0.51 1.61 0.08 -1.22 -4.98 117.98 112.90 2wvy s PHE 512 Ca 0.00 -1.24 -0.20 0.00 0.12 0.00 0.00 56.93 55.61 2wvy s PHE 512 Cb 0.00 -0.53 -0.07 0.00 -0.57 0.00 0.00 43.02 41.85 2wvy s PHE 512 CO 0.00 -0.51 1.07 -1.64 -0.10 0.00 0.00 175.22 174.05 2wvy s MET 513 N -4.06 3.63 0.00 0.44 -1.94 -1.26 -0.54 119.30 115.57 2wvy s MET 513 Ca 0.27 1.46 0.00 0.00 -1.71 0.00 0.00 55.69 55.71 2wvy s MET 513 Cb 0.07 -2.06 0.00 0.00 2.01 0.00 0.00 34.83 34.85 2wvy s MET 513 CO 0.04 -0.59 0.00 1.87 -0.01 0.00 0.00 175.02 176.33 2wvy n TRP 514 N -1.10 0.00 -4.10 -0.03 -0.00 -0.32 -4.76 117.44 107.14 2wvy n TRP 514 Ca 0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.49 2wvy n TRP 514 Cb 0.52 0.00 -0.11 0.00 -0.00 0.00 0.00 31.31 31.72 2wvy n TRP 514 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2wvy s THR 515 N -1.62 0.51 0.07 5.87 -1.32 -1.26 -4.83 115.64 113.05 2wvy s THR 515 Ca 0.00 -1.50 0.03 0.00 -1.21 0.00 0.00 61.69 59.01 2wvy s THR 515 Cb 0.00 -1.12 -0.03 0.00 -1.51 0.00 0.00 72.50 69.84 2wvy s THR 515 CO 0.00 -0.67 -0.09 -0.54 -2.21 0.00 0.00 174.62 171.11 2wvy s LYS 516 N -2.77 0.70 0.66 7.08 1.02 -1.26 -1.68 119.74 123.49 2wvy s LYS 516 Ca 0.00 -0.99 -0.10 0.00 0.02 0.00 0.00 55.97 54.90 2wvy s LYS 516 Cb -0.02 -0.40 0.15 0.00 -0.52 0.00 0.00 37.83 37.05 2wvy s LYS 516 CO -0.03 0.06 0.90 -0.40 -0.92 0.00 0.00 175.35 174.96 2wvy n ASP 517 N 0.94 0.16 0.26 2.83 5.68 -0.45 -1.27 116.55 124.71 2wvy n ASP 517 Ca -0.19 -1.38 0.18 0.00 -0.50 0.00 0.00 54.79 52.89 2wvy n ASP 517 Cb 0.56 -0.68 0.84 0.00 -1.14 0.00 0.00 41.12 40.70 2wvy n ASP 517 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wvy h ALA 518 N -1.72 1.00 -0.21 2.12 0.00 -1.89 -2.08 119.26 116.48 2wvy h ALA 518 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2wvy h ALA 518 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2wvy h ALA 518 CO 0.22 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.83 2wvy n LYS 519 N -2.86 2.11 -0.57 0.00 -0.00 -1.26 -4.94 118.16 110.64 2wvy n LYS 519 Ca -0.01 -1.66 0.00 0.00 -0.00 0.00 0.00 58.31 56.65 2wvy n LYS 519 Cb 0.18 -1.46 0.00 0.00 -0.00 0.00 0.00 35.03 33.75 2wvy n LYS 519 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wvy n GLY 520 N 1.31 0.72 3.66 2.58 0.00 -0.78 -5.04 105.19 107.64 2wvy n GLY 520 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2wvy n GLY 520 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wvy s ASN 521 N -2.06 6.95 0.29 1.61 0.02 -1.26 -4.83 114.94 115.67 2wvy s ASN 521 Ca 0.00 1.18 -0.29 0.00 -1.02 0.00 0.00 52.86 52.72 2wvy s ASN 521 Cb 0.00 -2.46 -0.13 0.00 0.02 0.00 0.00 41.25 38.68 2wvy s ASN 521 CO 0.00 -0.45 1.25 0.79 0.02 0.00 0.00 177.10 178.71 2wvy n TRP 522 N 5.48 1.94 -1.92 2.20 7.02 -1.26 -1.34 117.44 129.56 2wvy n TRP 522 Ca 0.06 0.56 -0.38 0.00 -1.02 0.00 0.00 57.50 56.72 2wvy n TRP 522 Cb 0.48 -2.38 0.03 0.00 -2.42 0.00 0.00 31.31 27.02 2wvy n TRP 522 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 2wvy s ARG 523 N -1.23 3.21 0.77 -0.99 3.52 -0.67 -4.88 118.95 118.67 2wvy s ARG 523 Ca 0.61 2.05 -0.11 0.00 -0.13 0.00 0.00 55.73 58.15 2wvy s ARG 523 Cb -0.64 -2.21 0.06 0.00 -1.56 0.00 0.00 34.95 30.60 2wvy s ARG 523 CO 0.57 -1.08 1.10 -0.51 -0.81 0.00 0.00 175.30 174.57 2wvy s ASP 524 N -1.18 4.40 -0.97 -2.12 1.11 -1.26 -4.43 116.67 112.22 2wvy s ASP 524 Ca 0.72 1.91 -0.08 0.00 0.18 0.00 0.00 52.55 55.28 2wvy s ASP 524 Cb -0.36 -2.53 -0.03 0.00 1.07 0.00 0.00 42.92 41.07 2wvy s ASP 524 CO 0.42 -2.10 0.81 0.54 1.18 0.00 0.00 175.17 176.02 2wvy n ARG 525 N -3.41 -1.70 -1.56 8.23 5.12 -1.26 -4.88 116.66 117.20 2wvy n ARG 525 Ca 0.10 0.94 -0.49 0.00 -1.93 0.00 0.00 57.85 56.46 2wvy n ARG 525 Cb 0.53 -5.19 -0.04 0.00 -1.16 0.00 0.00 32.46 26.60 2wvy n ARG 525 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2wvy n PHE 526 N -3.02 1.06 -3.43 -1.55 7.35 -1.26 -4.98 117.46 111.62 2wvy n PHE 526 Ca -0.07 0.74 -0.13 0.00 -0.76 0.00 0.00 57.45 57.23 2wvy n PHE 526 Cb 0.58 -2.23 -0.10 0.00 0.35 0.00 0.00 39.48 38.08 2wvy n PHE 526 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2wvy s ASP 527 N -0.18 0.70 0.55 -2.13 -1.08 -1.26 -5.04 116.67 108.24 2wvy s ASP 527 Ca 0.72 0.08 0.31 0.00 -0.52 0.00 0.00 52.55 53.14 2wvy s ASP 527 Cb -0.87 0.80 1.61 0.00 -1.46 0.00 0.00 42.92 43.00 2wvy s ASP 527 CO 0.54 -0.31 2.12 0.00 0.52 0.00 0.00 175.17 178.04 2wvy h ALA 528 N 8.24 1.22 -0.40 3.66 0.00 -1.96 -2.90 119.26 127.12 2wvy h ALA 528 Ca -0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2wvy h ALA 528 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2wvy h ALA 528 CO 0.27 0.10 0.00 0.25 0.00 0.00 0.00 179.25 179.86 2wvy n THR 529 N -3.50 0.66 -2.63 0.00 -2.24 -1.26 -1.40 114.28 103.92 2wvy n THR 529 Ca -0.02 -0.83 -0.43 0.00 -2.27 0.00 0.00 64.05 60.50 2wvy n THR 529 Cb 0.21 0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 69.22 2wvy n THR 529 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wvy s GLU 530 N -1.19 4.08 0.68 -0.78 2.12 -1.10 -4.83 118.70 117.69 2wvy s GLU 530 Ca 0.33 1.12 -0.11 0.00 0.36 0.00 0.00 54.97 56.67 2wvy s GLU 530 Cb 0.19 -3.73 -0.00 0.00 0.26 0.00 0.00 34.13 30.84 2wvy s GLU 530 CO 0.26 -0.88 1.07 -1.58 -0.54 0.00 0.00 175.26 173.59 2wvy s TRP 531 N 3.63 3.36 0.00 5.30 0.52 -1.26 -4.40 118.94 126.08 2wvy s TRP 531 Ca 0.46 1.20 0.00 0.00 0.02 0.00 0.00 56.10 57.77 2wvy s TRP 531 Cb -0.13 -2.92 0.00 0.00 -1.15 0.00 0.00 33.47 29.27 2wvy s TRP 531 CO 0.15 -1.07 0.00 0.41 0.02 0.00 0.00 176.95 176.45 2wvy n GLY 532 N -2.68 -1.76 7.00 0.98 0.00 -1.23 -4.96 105.19 102.54 2wvy n GLY 532 Ca 0.07 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2wvy n GLY 532 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvy n GLY 533 N 0.00 3.42 0.02 -0.02 0.00 -1.26 -1.45 105.19 105.89 2wvy n GLY 533 Ca 0.00 0.24 0.09 0.00 0.00 0.00 0.00 46.02 46.35 2wvy n GLY 533 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wvy n PRO 534 N 9.63 0.03 -4.24 1.61 -0.04 -1.26 -1.17 135.00 139.56 2wvy n PRO 534 Ca 0.00 0.21 -0.25 0.00 -0.04 0.00 0.00 63.50 63.42 2wvy n PRO 534 Cb 0.00 -1.55 -0.07 0.00 -0.04 0.00 0.00 33.50 31.84 2wvy n PRO 534 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2wvy s PHE 535 N -3.04 2.80 -0.19 0.54 0.08 -0.53 -1.35 117.98 116.30 2wvy s PHE 535 Ca 0.08 -0.17 -0.00 0.00 0.12 0.00 0.00 56.93 56.96 2wvy s PHE 535 Cb 0.12 -1.30 0.01 0.00 -0.57 0.00 0.00 43.02 41.28 2wvy s PHE 535 CO 0.35 0.56 -0.15 0.99 -0.10 0.00 0.00 175.22 176.87 2wvy s THR 536 N -2.00 2.47 -1.46 0.64 2.01 -1.26 -3.96 115.64 112.07 2wvy s THR 536 Ca 0.29 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 2wvy s THR 536 Cb -0.08 -2.07 0.05 0.00 0.01 0.00 0.00 72.50 70.42 2wvy s THR 536 CO 0.19 0.51 0.78 -0.62 -0.69 0.00 0.00 174.62 174.79 2wvy n GLU 537 N 4.63 -4.71 -3.74 4.92 -0.58 -1.26 -4.82 120.64 115.08 2wvy n GLU 537 Ca -0.20 0.55 0.00 0.00 -0.42 0.00 0.00 57.16 57.09 2wvy n GLU 537 Cb 0.50 -5.19 0.00 0.00 -0.57 0.00 0.00 31.44 26.19 2wvy n GLU 537 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wvy n GLY 538 N -1.68 -2.19 3.64 0.62 0.00 -1.26 -4.88 105.19 99.44 2wvy n GLY 538 Ca -0.12 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 2wvy n GLY 538 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wvy s SER 539 N -0.98 3.46 0.46 1.61 1.04 -1.26 -3.56 113.70 114.46 2wvy s SER 539 Ca 0.00 -1.68 0.17 0.00 0.48 0.00 0.00 55.95 54.92 2wvy s SER 539 Cb 0.00 0.54 1.13 0.00 0.10 0.00 0.00 66.02 67.79 2wvy s SER 539 CO 0.00 -0.91 1.98 -1.28 0.98 0.00 0.00 173.24 174.01 2wvy h SER 540 N 1.56 0.28 -0.94 7.02 0.87 -1.72 0.79 113.55 121.40 2wvy h SER 540 Ca -0.39 0.01 0.17 0.00 -1.23 0.00 0.00 61.79 60.35 2wvy h SER 540 Cb 1.30 -0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 63.13 2wvy h SER 540 CO 0.65 0.16 0.60 -0.25 -0.53 0.00 0.00 176.83 177.45 2wvy h TRP 541 N 0.30 0.83 0.00 2.24 2.91 -1.59 -0.56 115.95 120.08 2wvy h TRP 541 Ca 0.28 0.03 -0.15 0.00 1.13 0.00 0.00 58.89 60.17 2wvy h TRP 541 Cb 0.69 -0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 29.06 2wvy h TRP 541 CO -0.00 0.25 -0.87 0.45 -1.03 0.00 0.00 178.44 177.24 2wvy h HIS 542 N 0.65 0.00 0.00 2.65 -0.00 -1.20 -3.41 115.15 113.84 2wvy h HIS 542 Ca 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.84 2wvy h HIS 542 Cb 0.89 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.30 2wvy h HIS 542 CO -0.00 1.22 -0.10 -1.49 -0.00 0.00 0.00 177.93 177.56 2wvy h TRP 543 N -1.00 0.00 -0.20 2.45 4.06 -0.92 -2.80 115.95 117.53 2wvy h TRP 543 Ca -0.23 0.00 0.06 0.00 2.06 0.00 0.00 58.89 60.78 2wvy h TRP 543 Cb 1.13 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.29 2wvy h TRP 543 CO 0.11 0.10 0.25 1.15 -3.56 0.00 0.00 178.44 176.49 2wvy h THR 544 N 0.00 0.40 -0.03 1.49 2.02 -1.33 -1.10 112.91 114.37 2wvy h THR 544 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2wvy h THR 544 Cb 0.59 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2wvy h THR 544 CO 0.01 0.00 0.00 0.79 0.37 0.00 0.00 175.52 176.69 2wvy n TRP 545 N -3.69 0.01 -1.65 3.16 7.02 -1.06 -4.66 117.44 116.57 2wvy n TRP 545 Ca 0.02 -0.01 -0.41 0.00 -1.02 0.00 0.00 57.50 56.09 2wvy n TRP 545 Cb 0.37 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.25 2wvy n TRP 545 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2wvy n SER 546 N 0.46 6.29 -3.17 -0.99 2.88 -0.42 -4.47 113.62 114.20 2wvy n SER 546 Ca 0.18 -2.79 -0.20 0.00 -1.33 0.00 0.00 58.87 54.73 2wvy n SER 546 Cb 0.41 -1.57 -0.04 0.00 -0.75 0.00 0.00 64.21 62.26 2wvy n SER 546 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2wvy n VAL 547 N 4.01 0.10 0.11 2.46 0.31 -1.26 -4.82 118.33 119.24 2wvy n VAL 547 Ca 0.62 -4.60 0.00 0.00 -0.01 0.00 0.00 64.34 60.35 2wvy n VAL 547 Cb 0.31 -0.69 0.30 0.00 -0.91 0.00 0.00 33.84 32.85 2wvy n VAL 547 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2wvy h PHE 548 N 3.19 0.23 0.00 3.52 -1.00 -1.88 -2.24 116.94 118.76 2wvy h PHE 548 Ca 0.10 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.83 2wvy h PHE 548 Cb 0.90 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.41 2wvy h PHE 548 CO 0.49 0.50 0.00 -2.39 -1.61 0.00 0.00 178.31 175.29 2wvy n HIS 549 N -4.12 0.33 -3.02 -0.55 1.44 -1.26 -4.42 115.22 103.62 2wvy n HIS 549 Ca -0.01 0.10 -0.15 0.00 -2.01 0.00 0.00 57.72 55.65 2wvy n HIS 549 Cb 0.39 -0.67 0.01 0.00 0.12 0.00 0.00 29.99 29.85 2wvy n HIS 549 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2wvy n ASP 550 N -1.78 -0.39 -0.21 4.39 -0.08 -0.85 -0.32 116.55 117.31 2wvy n ASP 550 Ca 0.06 -3.24 0.04 0.00 -1.51 0.00 0.00 54.79 50.14 2wvy n ASP 550 Cb 0.33 0.32 0.30 0.00 2.34 0.00 0.00 41.12 44.41 2wvy n ASP 550 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2wvy h PRO 551 N 3.08 0.85 -0.66 -0.67 0.11 -1.75 -1.62 132.00 131.34 2wvy h PRO 551 Ca 0.02 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.09 2wvy h PRO 551 Cb 1.01 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 2wvy h PRO 551 CO 0.37 0.56 0.43 1.49 -0.21 0.00 0.00 178.00 180.64 2wvy h GLU 552 N 0.87 0.86 -0.39 1.05 4.57 -1.90 -0.36 114.58 119.29 2wvy h GLU 552 Ca 0.31 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.39 2wvy h GLU 552 Cb 0.13 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 2wvy h GLU 552 CO -0.10 0.57 0.05 0.78 -1.18 0.00 0.00 179.01 179.13 2wvy h GLY 553 N 0.89 0.64 1.06 1.92 0.00 -1.72 -1.14 103.07 104.71 2wvy h GLY 553 Ca 0.24 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 2wvy h GLY 553 CO -0.05 0.34 0.05 -2.00 0.00 0.00 0.00 176.54 174.87 2wvy h LEU 554 N 0.57 1.00 -1.02 3.11 5.85 -0.57 -1.97 115.31 122.29 2wvy h LEU 554 Ca 0.13 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 2wvy h LEU 554 Cb 0.30 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2wvy h LEU 554 CO 0.00 1.04 -0.13 0.77 -0.34 0.00 0.00 178.44 179.79 2wvy h SER 555 N 0.93 0.55 -0.58 1.25 4.64 -0.34 -1.80 113.55 118.20 2wvy h SER 555 Ca 0.18 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.25 2wvy h SER 555 Cb 0.50 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 2wvy h SER 555 CO 0.02 0.70 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.34 2wvy h GLU 556 N 0.52 1.03 -0.78 4.77 3.07 -1.04 0.50 114.58 122.64 2wvy h GLU 556 Ca 0.09 -0.33 0.03 0.00 -0.50 0.00 0.00 59.36 58.65 2wvy h GLU 556 Cb 0.52 -0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 28.30 2wvy h GLU 556 CO 0.03 1.02 0.49 -0.07 -1.40 0.00 0.00 179.01 179.09 2wvy h LEU 557 N 0.91 0.82 0.00 1.33 3.38 -1.01 -2.32 115.31 118.42 2wvy h LEU 557 Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2wvy h LEU 557 Cb 0.56 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2wvy h LEU 557 CO 0.03 0.57 0.00 0.23 0.09 0.00 0.00 178.44 179.36 2wvy n MET 558 N -4.60 0.02 0.00 1.13 2.81 -0.71 -4.89 117.12 110.88 2wvy n MET 558 Ca 0.09 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 2wvy n MET 558 Cb 0.08 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 2wvy n MET 558 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wvy n GLY 559 N 1.08 0.76 0.00 3.03 0.00 -0.45 -4.68 105.19 104.93 2wvy n GLY 559 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2wvy n GLY 559 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvy n GLY 560 N -0.97 0.97 0.34 -0.02 0.00 0.16 -4.79 105.19 100.88 2wvy n GLY 560 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2wvy n GLY 560 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2wvy h HIS 561 N 0.00 0.93 0.18 1.61 3.86 -1.92 -2.96 115.15 116.84 2wvy h HIS 561 Ca 0.00 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2wvy h HIS 561 Cb 0.00 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.16 2wvy h HIS 561 CO 0.00 0.60 -0.09 1.49 0.86 0.00 0.00 177.93 180.79 2wvy h GLU 562 N 0.99 -0.23 -0.55 2.45 4.81 -1.90 -0.44 114.58 119.70 2wvy h GLU 562 Ca 0.26 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 2wvy h GLU 562 Cb -0.08 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 2wvy h GLU 562 CO -0.05 0.10 0.35 -1.35 -0.73 0.00 0.00 179.01 177.32 2wvy h PRO 563 N -0.58 0.67 -0.68 0.92 0.11 -1.86 -1.04 132.00 129.54 2wvy h PRO 563 Ca -0.02 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.12 2wvy h PRO 563 Cb 0.44 -0.15 -0.06 0.00 0.11 0.00 0.00 31.00 31.33 2wvy h PRO 563 CO 0.04 0.44 0.35 1.98 -0.21 0.00 0.00 178.00 180.61 2wvy h MET 564 N 0.69 0.61 -0.75 1.05 1.85 -1.42 0.16 114.93 117.12 2wvy h MET 564 Ca 0.22 -0.04 0.04 0.00 -0.61 0.00 0.00 59.70 59.31 2wvy h MET 564 Cb -0.02 -0.14 -0.05 0.00 0.43 0.00 0.00 31.60 31.83 2wvy h MET 564 CO -0.08 0.40 0.47 0.82 -0.40 0.00 0.00 176.91 178.12 2wvy h ILE 565 N 0.63 1.08 -0.35 1.77 2.04 -0.60 0.11 117.51 122.18 2wvy h ILE 565 Ca 0.32 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.78 2wvy h ILE 565 Cb 0.27 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 2wvy h ILE 565 CO -0.23 0.16 -0.12 0.00 0.00 0.00 0.00 178.15 177.97 2wvy h ALA 566 N 1.33 0.49 -0.78 1.87 0.00 0.13 0.43 119.26 122.73 2wvy h ALA 566 Ca 0.31 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2wvy h ALA 566 Cb 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2wvy h ALA 566 CO -0.13 0.37 0.49 0.00 0.00 0.00 0.00 179.25 179.98 2wvy h ARG 567 N 0.49 0.93 -0.63 0.00 3.08 -0.49 -2.00 114.38 115.75 2wvy h ARG 567 Ca 0.08 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 2wvy h ARG 567 Cb 0.64 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 2wvy h ARG 567 CO 0.04 0.62 0.13 -0.07 -1.07 0.00 0.00 179.97 179.62 2wvy h LEU 568 N 0.96 0.97 -1.05 3.04 3.38 -0.48 -2.75 115.31 119.39 2wvy h LEU 568 Ca 0.31 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2wvy h LEU 568 Cb 0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2wvy h LEU 568 CO -0.11 0.97 0.24 0.44 0.09 0.00 0.00 178.44 180.06 2wvy h ASP 569 N 0.94 0.84 0.36 -0.43 3.32 -0.67 -2.53 116.42 118.25 2wvy h ASP 569 Ca 0.20 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2wvy h ASP 569 Cb 0.39 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 2wvy h ASP 569 CO 0.01 0.76 -0.04 0.77 -1.72 0.00 0.00 179.24 179.02 2wvy h SER 570 N 0.90 0.00 0.62 6.45 4.64 -1.06 -2.28 113.55 122.83 2wvy h SER 570 Ca 0.21 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.40 2wvy h SER 570 Cb 0.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 2wvy h SER 570 CO -0.02 0.04 -0.63 0.24 -0.87 0.00 0.00 176.83 175.59 2wvy h MET 571 N 0.00 0.01 -2.74 4.77 2.86 -1.41 -3.35 114.93 115.07 2wvy h MET 571 Ca -0.00 -0.01 -0.77 0.00 -2.06 0.00 0.00 59.70 56.86 2wvy h MET 571 Cb 0.23 0.00 -0.30 0.00 0.06 0.00 0.00 31.60 31.59 2wvy h MET 571 CO 0.01 0.64 0.58 1.19 1.06 0.00 0.00 176.91 180.38 2wvy n PHE 572 N -3.79 2.50 -1.60 -0.22 3.72 -0.86 -1.31 117.46 115.90 2wvy n PHE 572 Ca -0.01 -2.83 -0.52 0.00 -0.05 0.00 0.00 57.45 54.04 2wvy n PHE 572 Cb 0.63 -1.13 -0.06 0.00 -0.94 0.00 0.00 39.48 37.98 2wvy n PHE 572 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 2wvy n VAL 573 N 1.11 0.01 -3.34 -4.37 3.14 -1.26 -4.94 118.33 108.69 2wvy n VAL 573 Ca 0.28 -0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.33 2wvy n VAL 573 Cb 0.34 -0.86 -0.06 0.00 -1.06 0.00 0.00 33.84 32.20 2wvy n VAL 573 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wvy s ALA 574 N 0.64 3.51 0.26 1.55 0.00 -1.26 -4.88 121.76 121.58 2wvy s ALA 574 Ca 0.85 -0.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.32 2wvy s ALA 574 Cb -0.95 -2.53 -0.12 0.00 0.00 0.00 0.00 23.12 19.52 2wvy s ALA 574 CO 0.47 0.46 1.56 -2.30 0.00 0.00 0.00 175.76 175.95 2wvy n PRO 575 N -0.06 2.49 -3.87 0.00 -0.01 -1.26 -4.97 135.00 127.32 2wvy n PRO 575 Ca 0.00 0.89 -0.35 0.00 -0.01 0.00 0.00 63.50 64.03 2wvy n PRO 575 Cb 0.52 -2.64 -0.13 0.00 -0.01 0.00 0.00 33.50 31.24 2wvy n PRO 575 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 175.50 176.70 2wvy s ASN 576 N 0.54 5.01 0.00 2.55 3.84 -1.26 -4.96 114.94 120.67 2wvy s ASN 576 Ca 0.67 -1.55 0.24 0.00 0.21 0.00 0.00 52.86 52.43 2wvy s ASN 576 Cb -0.55 -1.75 0.61 0.00 -0.55 0.00 0.00 41.25 39.01 2wvy s ASN 576 CO 0.46 -0.36 1.49 0.35 -2.79 0.00 0.00 177.10 176.26 2wvy n THR 577 N 4.60 0.19 -1.20 -5.21 -2.24 -1.26 -5.01 114.28 104.15 2wvy n THR 577 Ca -0.09 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2wvy n THR 577 Cb 0.43 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 2wvy n THR 577 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2wvy n TYR 578 N 0.80 0.00 0.00 4.78 4.01 -1.26 -1.10 117.16 124.40 2wvy n TYR 578 Ca 0.17 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.98 2wvy n TYR 578 Cb 0.46 0.01 0.26 0.00 -0.31 0.00 0.00 39.34 39.77 2wvy n TYR 578 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2wvy n ASN 579 N 1.83 3.56 -0.06 7.72 3.02 -1.26 -4.41 115.26 125.66 2wvy n ASN 579 Ca 0.00 -2.31 0.14 0.00 -0.03 0.00 0.00 54.58 52.39 2wvy n ASN 579 Cb 0.00 -0.48 0.68 0.00 -0.61 0.00 0.00 39.78 39.36 2wvy n ASN 579 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2wvy n TYR 580 N 0.78 0.00 -0.26 3.10 4.01 -0.26 -4.05 117.16 120.48 2wvy n TYR 580 Ca 0.19 0.00 0.33 0.00 -0.16 0.00 0.00 57.90 58.25 2wvy n TYR 580 Cb 0.67 -0.23 0.64 0.00 -0.31 0.00 0.00 39.34 40.11 2wvy n TYR 580 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2wvy h GLY 581 N 4.98 0.00 -0.86 2.72 0.00 -1.77 -1.41 103.07 106.73 2wvy h GLY 581 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 47.33 47.62 2wvy h GLY 581 CO 0.00 0.00 0.21 2.41 0.00 0.00 0.00 176.54 179.16 2wvy n THR 582 N -3.65 -0.36 0.22 4.70 -1.04 -1.26 0.41 114.28 113.30 2wvy n THR 582 Ca 0.24 1.84 0.04 0.00 -2.04 0.00 0.00 64.05 64.13 2wvy n THR 582 Cb 1.37 -2.80 0.17 0.00 -1.82 0.00 0.00 70.33 67.25 2wvy n THR 582 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wvy n TYR 583 N -5.12 0.07 -1.44 -1.42 -0.00 -0.53 -4.95 117.16 103.77 2wvy n TYR 583 Ca 0.26 0.03 0.00 0.00 -0.00 0.00 0.00 57.90 58.19 2wvy n TYR 583 Cb 0.86 -0.55 0.00 0.00 -0.00 0.00 0.00 39.34 39.64 2wvy n TYR 583 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2wvy n GLY 584 N -0.85 -0.44 0.30 -7.48 0.00 1.35 -4.07 105.19 94.00 2wvy n GLY 584 Ca 0.01 -1.60 0.10 0.00 0.00 0.00 0.00 46.02 44.53 2wvy n GLY 584 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2wvy h PHE 585 N 0.00 0.16 -0.50 1.61 -1.00 -1.92 -2.89 116.94 112.40 2wvy h PHE 585 Ca 0.00 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.84 2wvy h PHE 585 Cb 0.00 -0.05 -0.05 0.00 3.61 0.00 0.00 35.95 39.46 2wvy h PHE 585 CO 0.00 0.09 0.22 -0.24 -1.61 0.00 0.00 178.31 176.77 2wvy h VAL 586 N 0.17 0.90 -0.34 -0.55 3.04 -1.94 0.51 116.25 118.03 2wvy h VAL 586 Ca 0.11 -0.15 -0.08 0.00 -1.01 0.00 0.00 66.70 65.57 2wvy h VAL 586 Cb 0.22 0.44 -0.02 0.00 -2.01 0.00 0.00 31.29 29.91 2wvy h VAL 586 CO -0.02 0.08 -0.11 0.16 -1.01 0.00 0.00 177.57 176.67 2wvy h ILE 587 N 0.43 1.24 -0.60 3.17 3.07 -1.72 -2.44 117.51 120.65 2wvy h ILE 587 Ca 0.23 -1.05 -0.06 0.00 1.55 0.00 0.00 64.86 65.52 2wvy h ILE 587 Cb 0.18 1.10 -0.03 0.00 -0.27 0.00 0.00 36.82 37.81 2wvy h ILE 587 CO -0.19 0.35 0.13 0.45 -1.05 0.00 0.00 178.15 177.84 2wvy h HIS 588 N 0.54 0.99 -0.03 0.16 3.86 -1.12 -1.49 115.15 118.06 2wvy h HIS 588 Ca 0.10 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2wvy h HIS 588 Cb 0.51 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 2wvy h HIS 588 CO 0.02 0.83 -0.05 0.93 0.86 0.00 0.00 177.93 180.52 2wvy h GLU 589 N 0.91 0.08 -0.78 2.45 3.07 -0.69 -2.81 114.58 116.82 2wvy h GLU 589 Ca 0.19 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 2wvy h GLU 589 Cb 0.35 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.23 2wvy h GLU 589 CO 0.00 0.61 0.46 -0.84 -1.40 0.00 0.00 179.01 177.84 2wvy h ILE 590 N -0.43 1.22 -0.89 3.13 3.07 -1.39 -1.75 117.51 120.46 2wvy h ILE 590 Ca 0.00 -0.49 0.00 0.00 1.55 0.00 0.00 64.86 65.93 2wvy h ILE 590 Cb 0.60 0.13 -0.04 0.00 -0.27 0.00 0.00 36.82 37.23 2wvy h ILE 590 CO 0.01 0.23 0.55 0.00 -1.05 0.00 0.00 178.15 177.90 2wvy h ALA 591 N 1.44 1.31 -0.15 0.16 0.00 -1.24 -1.59 119.26 119.19 2wvy h ALA 591 Ca 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2wvy h ALA 591 Cb -0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2wvy h ALA 591 CO -0.05 0.61 0.01 0.93 0.00 0.00 0.00 179.25 180.75 2wvy h GLU 592 N 1.22 0.26 -0.64 0.00 3.07 -1.07 -2.29 114.58 115.12 2wvy h GLU 592 Ca 0.32 -0.08 0.13 0.00 -0.50 0.00 0.00 59.36 59.23 2wvy h GLU 592 Cb -0.08 -0.03 -0.10 0.00 -0.84 0.00 0.00 28.75 27.70 2wvy h GLU 592 CO -0.06 0.47 0.09 1.98 -1.40 0.00 0.00 179.01 180.09 2wvy h MET 593 N 0.01 0.19 -0.50 2.33 1.85 -1.03 -2.22 114.93 115.57 2wvy h MET 593 Ca 0.04 -0.01 -0.09 0.00 -0.61 0.00 0.00 59.70 59.03 2wvy h MET 593 Cb 0.35 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.32 2wvy h MET 593 CO 0.01 0.13 -0.06 0.28 -0.40 0.00 0.00 176.91 176.87 2wvy h VAL 594 N 0.20 1.26 -0.11 -5.77 2.07 -1.02 -0.99 116.25 111.90 2wvy h VAL 594 Ca 0.34 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.73 2wvy h VAL 594 Cb 0.55 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2wvy h VAL 594 CO -0.48 0.40 0.04 0.00 0.02 0.00 0.00 177.57 177.55 2wvy h ALA 595 N 1.12 0.11 0.13 1.67 0.00 -0.85 -2.38 119.26 119.07 2wvy h ALA 595 Ca 0.14 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2wvy h ALA 595 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2wvy h ALA 595 CO 0.03 -0.42 -0.25 -0.07 0.00 0.00 0.00 179.25 178.55 2wvy h LEU 596 N 0.09 -0.69 -1.29 0.00 3.38 -1.19 0.26 115.31 115.87 2wvy h LEU 596 Ca 0.04 0.08 0.43 0.00 0.09 0.00 0.00 57.88 58.52 2wvy h LEU 596 Cb 0.02 0.26 -0.14 0.00 0.09 0.00 0.00 40.66 40.89 2wvy h LEU 596 CO -0.05 -0.34 0.77 0.78 0.09 0.00 0.00 178.44 179.70 2wvy h ASN 597 N -0.46 0.28 0.34 -0.43 2.35 -0.94 0.41 115.58 117.13 2wvy h ASN 597 Ca 0.03 0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 2wvy h ASN 597 Cb 0.48 0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.01 2wvy h ASN 597 CO -0.13 -0.24 -0.16 0.24 -1.65 0.00 0.00 177.43 175.48 2wvy h MET 598 N 0.08 -0.44 -4.65 0.81 2.86 -0.06 -3.50 114.93 110.03 2wvy h MET 598 Ca 0.83 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.50 2wvy h MET 598 Cb 2.48 0.10 0.00 0.00 0.06 0.00 0.00 31.60 34.24 2wvy h MET 598 CO -0.51 -0.12 -0.17 0.41 1.06 0.00 0.00 176.91 177.58 2wvy n GLY 599 N -0.03 -1.05 0.25 8.32 0.00 0.14 -4.94 105.19 107.88 2wvy n GLY 599 Ca -0.09 0.56 -0.04 0.00 0.00 0.00 0.00 46.02 46.45 2wvy n GLY 599 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2wvy h GLN 600 N 0.86 0.55 -5.00 1.61 7.50 -1.83 -3.40 115.11 115.40 2wvy h GLN 600 Ca 0.00 -0.20 -0.63 0.00 0.50 0.00 0.00 58.65 58.32 2wvy h GLN 600 Cb 0.86 -0.04 -0.16 0.00 0.05 0.00 0.00 27.48 28.19 2wvy h GLN 600 CO 0.18 0.73 -0.53 -0.47 -1.50 0.00 0.00 178.83 177.24 2wvy s TYR 601 N -4.58 3.25 -0.84 2.96 5.04 -0.43 -4.89 117.35 117.85 2wvy s TYR 601 Ca -0.07 0.10 -0.15 0.00 -2.44 0.00 0.00 57.07 54.51 2wvy s TYR 601 Cb 0.14 -2.30 0.20 0.00 0.35 0.00 0.00 41.96 40.34 2wvy s TYR 601 CO 0.80 -0.07 0.84 0.00 -1.34 0.00 0.00 175.55 175.78 2wvy s ALA 602 N 1.38 3.91 0.25 3.97 0.00 -1.26 -5.03 121.76 124.99 2wvy s ALA 602 Ca 0.07 -3.18 -0.31 0.00 0.00 0.00 0.00 51.96 48.54 2wvy s ALA 602 Cb -0.15 -3.63 -0.12 0.00 0.00 0.00 0.00 23.12 19.22 2wvy s ALA 602 CO 0.07 -2.43 1.62 1.58 0.00 0.00 0.00 175.76 176.60 2wvy n HIS 603 N 4.58 2.74 0.00 0.00 -0.00 -1.26 -1.41 115.22 119.88 2wvy n HIS 603 Ca 0.15 0.20 0.00 0.00 0.46 0.00 0.00 57.72 58.53 2wvy n HIS 603 Cb 0.47 -2.61 0.00 0.00 -0.12 0.00 0.00 29.99 27.73 2wvy n HIS 603 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2wvy n GLY 604 N 2.82 1.93 3.64 1.57 0.00 -1.26 -3.51 105.19 110.38 2wvy n GLY 604 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2wvy n GLY 604 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wvy s ASN 605 N -1.45 6.69 0.19 1.61 2.47 -0.50 -4.83 114.94 119.11 2wvy s ASN 605 Ca 0.00 1.60 -0.20 0.00 0.42 0.00 0.00 52.86 54.68 2wvy s ASN 605 Cb 0.00 -2.54 0.13 0.00 -1.45 0.00 0.00 41.25 37.39 2wvy s ASN 605 CO 0.00 -1.00 1.60 1.56 -3.72 0.00 0.00 177.10 175.54 2wvy h GLN 606 N 9.30 -0.15 0.00 0.43 7.50 -1.90 -1.15 115.11 129.15 2wvy h GLN 606 Ca -0.30 0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.86 2wvy h GLN 606 Cb 1.12 0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.69 2wvy h GLN 606 CO 0.99 -0.10 0.00 -0.35 -1.50 0.00 0.00 178.83 177.87 2wvy n PRO 607 N -5.43 0.05 -0.08 1.46 -0.04 -1.26 -2.22 135.00 127.47 2wvy n PRO 607 Ca 0.04 0.41 0.04 0.00 -0.04 0.00 0.00 63.50 63.96 2wvy n PRO 607 Cb 0.35 -1.61 0.08 0.00 -0.04 0.00 0.00 33.50 32.27 2wvy n PRO 607 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2wvy n VAL 608 N -1.70 1.35 0.13 0.52 0.24 -0.45 -4.19 118.33 114.21 2wvy n VAL 608 Ca 0.01 -1.42 0.04 0.00 -2.04 0.00 0.00 64.34 60.94 2wvy n VAL 608 Cb 0.10 0.24 0.45 0.00 -1.47 0.00 0.00 33.84 33.16 2wvy n VAL 608 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2wvy h GLN 609 N 0.43 0.25 -0.00 7.34 4.20 -1.24 -2.26 115.11 123.82 2wvy h GLN 609 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2wvy h GLN 609 Cb 0.75 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2wvy h GLN 609 CO 0.02 0.29 -0.42 -2.39 -0.67 0.00 0.00 178.83 175.65 2wvy n HIS 610 N -4.37 0.00 -0.08 2.96 1.44 -1.26 -4.53 115.22 109.37 2wvy n HIS 610 Ca -0.00 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.73 2wvy n HIS 610 Cb 0.19 -0.21 0.36 0.00 0.12 0.00 0.00 29.99 30.45 2wvy n HIS 610 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wvy h ALA 611 N 3.22 1.61 0.00 1.59 0.00 -1.72 -1.18 119.26 122.78 2wvy h ALA 611 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2wvy h ALA 611 Cb 0.50 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2wvy h ALA 611 CO 0.00 0.36 -0.07 0.82 0.00 0.00 0.00 179.25 180.36 2wvy h ILE 612 N 0.72 0.77 0.00 0.00 2.04 -1.80 -1.73 117.51 117.51 2wvy h ILE 612 Ca 0.19 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2wvy h ILE 612 Cb -0.07 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2wvy h ILE 612 CO -0.04 0.07 0.00 -1.22 0.00 0.00 0.00 178.15 176.96 2wvy n TYR 613 N -4.05 0.28 0.26 1.37 4.01 -0.45 -3.72 117.16 114.87 2wvy n TYR 613 Ca -0.03 0.09 0.12 0.00 -0.16 0.00 0.00 57.90 57.91 2wvy n TYR 613 Cb 0.15 -0.64 0.73 0.00 -0.31 0.00 0.00 39.34 39.27 2wvy n TYR 613 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2wvy h LEU 614 N 0.00 0.00 -2.58 7.72 3.38 -1.38 -1.72 115.31 120.72 2wvy h LEU 614 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wvy h LEU 614 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2wvy h LEU 614 CO 0.00 0.09 0.02 1.88 0.09 0.00 0.00 178.44 180.52 2wvy h TYR 615 N 0.00 0.00 0.00 1.13 0.05 -1.77 -0.81 116.97 115.57 2wvy h TYR 615 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2wvy h TYR 615 Cb 0.22 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.96 2wvy h TYR 615 CO 0.00 0.00 -0.04 -0.44 -1.05 0.00 0.00 178.16 176.63 2wvy h ASP 616 N 0.00 0.00 0.15 3.88 3.32 -1.57 -2.20 116.42 120.00 2wvy h ASP 616 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2wvy h ASP 616 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2wvy h ASP 616 CO -0.00 0.04 -0.81 -1.22 -1.72 0.00 0.00 179.24 175.53 2wvy n TYR 617 N -3.25 0.00 -1.68 4.55 4.01 -0.31 -4.45 117.16 116.03 2wvy n TYR 617 Ca -0.01 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.76 2wvy n TYR 617 Cb 0.20 -0.08 0.04 0.00 -0.31 0.00 0.00 39.34 39.20 2wvy n TYR 617 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 2wvy n ILE 618 N -1.40 0.61 0.00 -0.72 -5.35 -1.07 -4.89 119.36 106.54 2wvy n ILE 618 Ca 0.05 -0.73 0.00 0.00 -0.27 0.00 0.00 62.75 61.80 2wvy n ILE 618 Cb 0.34 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 2wvy n ILE 618 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wvy n GLY 619 N -0.46 0.66 2.32 3.28 0.00 -1.13 -4.90 105.19 104.96 2wvy n GLY 619 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 2wvy n GLY 619 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wvy n GLN 620 N -1.32 1.38 0.27 1.61 6.02 -0.85 -4.56 117.38 119.92 2wvy n GLN 620 Ca 0.00 -3.67 0.11 0.00 -0.01 0.00 0.00 57.00 53.43 2wvy n GLN 620 Cb 0.00 -1.69 0.75 0.00 1.02 0.00 0.00 30.24 30.32 2wvy n GLN 620 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2wvy h PRO 621 N 3.40 0.00 -0.33 -1.09 0.13 -1.82 -0.57 132.00 131.73 2wvy h PRO 621 Ca 0.10 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.33 2wvy h PRO 621 Cb 0.85 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 2wvy h PRO 621 CO 0.57 0.03 0.24 0.11 -0.23 0.00 0.00 178.00 178.72 2wvy h TRP 622 N 0.00 0.00 -0.33 1.56 0.09 -1.89 -0.63 115.95 114.75 2wvy h TRP 622 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 58.89 58.82 2wvy h TRP 622 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.31 2wvy h TRP 622 CO 0.00 0.00 -0.42 0.87 0.09 0.00 0.00 178.44 178.98 2wvy h LYS 623 N 0.00 0.86 -0.24 0.12 1.57 -1.49 -1.21 116.57 116.18 2wvy h LYS 623 Ca 0.16 -0.49 0.06 0.00 -1.87 0.00 0.00 60.65 58.50 2wvy h LYS 623 Cb 0.63 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.92 2wvy h LYS 623 CO -0.00 1.13 -0.12 1.15 -0.57 0.00 0.00 179.45 181.04 2wvy h THR 624 N 0.65 0.62 -0.45 -0.16 2.02 -1.36 -0.91 112.91 113.32 2wvy h THR 624 Ca 0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.25 2wvy h THR 624 Cb 1.02 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 2wvy h THR 624 CO 0.10 0.00 0.25 1.56 0.37 0.00 0.00 175.52 177.80 2wvy h GLN 625 N -0.09 0.48 0.07 6.66 4.20 -0.91 -1.15 115.11 124.36 2wvy h GLN 625 Ca 0.13 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 2wvy h GLN 625 Cb 0.29 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2wvy h GLN 625 CO -0.30 0.32 -0.03 -0.92 -0.67 0.00 0.00 178.83 177.22 2wvy h TYR 626 N 0.49 -0.09 -0.35 2.96 3.20 -0.89 -2.61 116.97 119.68 2wvy h TYR 626 Ca 0.19 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 2wvy h TYR 626 Cb 0.06 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2wvy h TYR 626 CO -0.09 0.11 -0.28 0.45 -1.64 0.00 0.00 178.16 176.72 2wvy h HIS 627 N -0.28 0.83 -0.32 -3.82 3.86 -1.01 -1.80 115.15 112.61 2wvy h HIS 627 Ca -0.01 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 58.98 2wvy h HIS 627 Cb 0.24 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 2wvy h HIS 627 CO -0.01 0.92 0.15 -0.07 0.86 0.00 0.00 177.93 179.78 2wvy h LEU 628 N 0.62 0.42 -0.68 2.43 3.38 -1.23 -0.79 115.31 119.46 2wvy h LEU 628 Ca 0.08 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2wvy h LEU 628 Cb 0.79 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2wvy h LEU 628 CO 0.06 0.42 -0.22 0.03 0.09 0.00 0.00 178.44 178.83 2wvy h ARG 629 N 0.38 0.79 -0.41 1.13 2.47 -1.30 -0.42 114.38 117.02 2wvy h ARG 629 Ca 0.11 -0.32 0.01 0.00 -1.26 0.00 0.00 59.98 58.53 2wvy h ARG 629 Cb 0.12 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 2wvy h ARG 629 CO -0.01 0.94 0.25 -0.97 0.56 0.00 0.00 179.97 180.73 2wvy h ASN 630 N 0.69 0.41 -0.47 7.04 -1.24 -1.22 -1.51 115.58 119.29 2wvy h ASN 630 Ca 0.10 -0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.06 2wvy h ASN 630 Cb 0.73 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.67 2wvy h ASN 630 CO 0.06 0.30 0.12 0.58 -1.29 0.00 0.00 177.43 177.19 2wvy h VAL 631 N 0.50 1.24 -0.62 2.57 2.07 -0.59 -1.34 116.25 120.08 2wvy h VAL 631 Ca 0.16 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.89 2wvy h VAL 631 Cb -0.01 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 2wvy h VAL 631 CO -0.06 0.29 0.36 0.24 0.02 0.00 0.00 177.57 178.42 2wvy h MET 632 N 0.63 0.68 0.00 1.57 2.86 -0.92 -1.57 114.93 118.18 2wvy h MET 632 Ca 0.15 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.62 2wvy h MET 632 Cb 0.32 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2wvy h MET 632 CO 0.00 0.45 -0.58 -0.44 1.06 0.00 0.00 176.91 177.40 2wvy h ASP 633 N 0.70 0.00 0.00 1.22 3.32 -1.05 -3.36 116.42 117.25 2wvy h ASP 633 Ca 0.26 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 2wvy h ASP 633 Cb 0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2wvy h ASP 633 CO -0.13 0.58 -1.69 0.29 -1.72 0.00 0.00 179.24 176.57 2wvy n LYS 634 N -3.63 0.60 -0.12 3.56 5.02 -0.53 -4.60 118.16 118.47 2wvy n LYS 634 Ca -0.01 -0.12 0.04 0.00 -2.02 0.00 0.00 58.31 56.21 2wvy n LYS 634 Cb 0.63 -1.34 0.10 0.00 -0.02 0.00 0.00 35.03 34.40 2wvy n LYS 634 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wvy n LEU 635 N -2.06 2.60 -3.97 -0.35 4.77 -0.62 -4.93 117.00 112.44 2wvy n LEU 635 Ca -0.05 -1.95 -0.14 0.00 -0.03 0.00 0.00 56.01 53.84 2wvy n LEU 635 Cb 0.44 -0.15 -0.13 0.00 -2.33 0.00 0.00 43.42 41.24 2wvy n LEU 635 CO 0.30 0.65 -0.39 -0.31 -1.33 0.00 0.00 177.39 176.30 2wvy s TYR 636 N -0.98 0.43 0.30 -1.77 2.02 -1.26 -1.73 117.35 114.35 2wvy s TYR 636 Ca 0.16 -0.21 -0.17 0.00 -0.37 0.00 0.00 57.07 56.48 2wvy s TYR 636 Cb 0.08 -0.27 0.02 0.00 -0.40 0.00 0.00 41.96 41.39 2wvy s TYR 636 CO 0.11 -0.04 0.67 0.54 -1.57 0.00 0.00 175.55 175.26 2wvy s ASN 637 N -0.55 -0.10 0.00 2.29 2.20 -0.53 -4.89 114.94 113.35 2wvy s ASN 637 Ca -0.03 -0.85 0.21 0.00 -0.94 0.00 0.00 52.86 51.25 2wvy s ASN 637 Cb -0.04 0.72 0.58 0.00 -2.00 0.00 0.00 41.25 40.51 2wvy s ASN 637 CO -0.00 -1.37 1.46 -1.54 -2.94 0.00 0.00 177.10 172.71 2wvy n SER 638 N -0.70 2.39 -3.29 3.54 3.41 -1.26 -4.33 113.62 113.39 2wvy n SER 638 Ca -0.04 -1.85 -0.20 0.00 -0.26 0.00 0.00 58.87 56.52 2wvy n SER 638 Cb 0.60 -0.18 0.15 0.00 -0.26 0.00 0.00 64.21 64.51 2wvy n SER 638 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wvy n GLY 639 N 1.27 -1.61 0.26 5.00 0.00 -1.26 -4.50 105.19 104.35 2wvy n GLY 639 Ca 0.17 -1.66 0.02 0.00 0.00 0.00 0.00 46.02 44.55 2wvy n GLY 639 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wvy h SER 640 N -1.37 0.34 -0.03 1.61 4.64 -1.93 -2.73 113.55 114.10 2wvy h SER 640 Ca -0.29 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 2wvy h SER 640 Cb 0.82 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2wvy h SER 640 CO 0.20 0.43 -0.04 0.11 -0.87 0.00 0.00 176.83 176.67 2wvy h LYS 641 N 0.36 0.07 0.00 4.77 1.57 -1.84 0.29 116.57 121.79 2wvy h LYS 641 Ca 0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2wvy h LYS 641 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2wvy h LYS 641 CO 0.01 0.59 0.00 0.41 -0.57 0.00 0.00 179.45 179.89 2wvy n GLY 642 N 0.35 1.21 3.29 3.86 0.00 -1.03 -3.91 105.19 108.96 2wvy n GLY 642 Ca -0.08 0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2wvy n GLY 642 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wvy s TYR 643 N 0.00 3.30 -0.77 1.61 2.02 -1.26 -1.46 117.35 120.79 2wvy s TYR 643 Ca 0.00 -1.41 0.26 0.00 -0.37 0.00 0.00 57.07 55.55 2wvy s TYR 643 Cb 0.00 -3.62 0.72 0.00 -0.40 0.00 0.00 41.96 38.66 2wvy s TYR 643 CO 0.00 -0.98 1.64 0.00 -1.57 0.00 0.00 175.55 174.64 2wvy n GLY 645 N 1.36 0.65 0.35 0.00 0.00 -1.25 -4.83 105.19 101.48 2wvy n GLY 645 Ca 0.05 0.56 0.03 0.00 0.00 0.00 0.00 46.02 46.67 2wvy n GLY 645 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wvy h ASP 646 N 4.45 0.80 -0.28 1.61 3.32 -1.88 -1.03 116.42 123.40 2wvy h ASP 646 Ca -0.45 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2wvy h ASP 646 Cb 1.29 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2wvy h ASP 646 CO 0.78 0.55 0.00 -0.62 -1.72 0.00 0.00 179.24 178.22 2wvy n GLU 647 N -4.46 2.05 -3.52 3.56 1.02 -1.26 -4.84 120.64 113.19 2wvy n GLU 647 Ca 0.10 -1.58 -0.39 0.00 -0.02 0.00 0.00 57.16 55.27 2wvy n GLU 647 Cb 0.13 -1.43 -0.10 0.00 -0.02 0.00 0.00 31.44 30.02 2wvy n GLU 647 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2wvy s ASP 648 N -1.46 6.09 -0.08 1.62 2.15 -0.39 -4.49 116.67 120.11 2wvy s ASP 648 Ca 0.34 -0.06 0.13 0.00 0.43 0.00 0.00 52.55 53.38 2wvy s ASP 648 Cb 0.19 -2.15 0.35 0.00 -0.30 0.00 0.00 42.92 41.01 2wvy s ASP 648 CO 0.27 -0.15 1.27 0.59 -0.17 0.00 0.00 175.17 176.99 2wvy n ASN 649 N 5.16 3.11 0.00 -0.34 5.03 -1.26 -4.61 115.26 122.35 2wvy n ASN 649 Ca -0.12 -2.51 0.00 0.00 0.87 0.00 0.00 54.58 52.82 2wvy n ASN 649 Cb 0.51 -0.34 0.00 0.00 -1.02 0.00 0.00 39.78 38.93 2wvy n ASN 649 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wvy n GLY 650 N -0.22 1.09 0.00 7.41 0.00 -1.26 -4.61 105.19 107.59 2wvy n GLY 650 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 2wvy n GLY 650 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvy n GLN 651 N -0.54 0.42 -0.28 1.61 0.00 -1.26 -2.65 117.38 114.68 2wvy n GLN 651 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 57.00 57.13 2wvy n GLN 651 Cb 0.00 -1.50 0.21 0.00 0.00 0.00 0.00 30.24 28.95 2wvy n GLN 651 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2wvy n THR 652 N -1.15 0.79 -0.07 -0.39 -2.24 -1.26 -4.54 114.28 105.42 2wvy n THR 652 Ca 0.11 -0.65 -0.09 0.00 -2.27 0.00 0.00 64.05 61.15 2wvy n THR 652 Cb 0.11 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 2wvy n THR 652 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wvy h SER 653 N 2.62 0.30 -0.11 3.42 0.02 -1.83 -1.53 113.55 116.43 2wvy h SER 653 Ca 0.00 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 2wvy h SER 653 Cb 0.74 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2wvy h SER 653 CO 0.05 0.22 -0.32 0.00 -1.14 0.00 0.00 176.83 175.64 2wvy h ALA 654 N 1.10 0.92 -0.96 3.77 0.00 -1.81 -1.94 119.26 120.33 2wvy h ALA 654 Ca 0.10 -0.40 0.09 0.00 0.00 0.00 0.00 54.91 54.70 2wvy h ALA 654 Cb -0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 2wvy h ALA 654 CO -0.02 0.62 0.61 2.35 0.00 0.00 0.00 179.25 182.80 2wvy h TRP 655 N 0.51 1.11 -0.17 0.00 7.01 -1.77 -2.09 115.95 120.55 2wvy h TRP 655 Ca 0.06 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 60.95 2wvy h TRP 655 Cb 0.80 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 27.51 2wvy h TRP 655 CO 0.03 0.51 -0.42 -0.92 -2.79 0.00 0.00 178.44 174.86 2wvy h TYR 656 N 1.04 0.76 -0.24 2.65 3.20 -0.64 -1.36 116.97 122.38 2wvy h TYR 656 Ca 0.44 -0.29 0.03 0.00 3.14 0.00 0.00 58.73 62.05 2wvy h TYR 656 Cb 0.30 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2wvy h TYR 656 CO -0.01 1.05 0.08 0.28 -1.64 0.00 0.00 178.16 177.92 2wvy h VAL 657 N 0.26 0.93 -0.09 1.81 2.07 -1.25 0.11 116.25 120.10 2wvy h VAL 657 Ca -0.00 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2wvy h VAL 657 Cb 1.03 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2wvy h VAL 657 CO 0.09 0.03 0.03 -0.26 0.02 0.00 0.00 177.57 177.48 2wvy h PHE 658 N 0.19 0.14 -0.76 1.57 0.04 -1.38 -2.11 116.94 114.63 2wvy h PHE 658 Ca 0.11 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 2wvy h PHE 658 Cb 0.08 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.15 2wvy h PHE 658 CO -0.13 0.29 0.34 0.77 -0.60 0.00 0.00 178.31 178.98 2wvy h SER 659 N -0.05 1.00 -0.41 2.17 0.02 -1.06 -0.68 113.55 114.54 2wvy h SER 659 Ca 0.03 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2wvy h SER 659 Cb 0.21 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2wvy h SER 659 CO -0.00 0.86 0.21 0.00 -1.14 0.00 0.00 176.83 176.76 2wvy h ALA 660 N 1.29 1.53 0.00 3.77 0.00 -0.69 -2.04 119.26 123.12 2wvy h ALA 660 Ca 0.26 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2wvy h ALA 660 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2wvy h ALA 660 CO -0.03 0.38 -0.22 0.52 0.00 0.00 0.00 179.25 179.89 2wvy h MET 661 N 0.63 0.00 0.00 0.00 2.07 -0.45 -0.59 114.93 116.59 2wvy h MET 661 Ca 0.16 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.79 2wvy h MET 661 Cb 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.80 2wvy h MET 661 CO -0.02 0.22 0.00 0.41 1.07 0.00 0.00 176.91 178.59 2wvy n GLY 662 N 0.41 1.07 3.33 8.32 0.00 -0.67 -4.65 105.19 113.00 2wvy n GLY 662 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 2wvy n GLY 662 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wvy s PHE 663 N -2.00 -0.24 -0.17 1.61 -0.12 -1.12 -0.50 117.98 115.45 2wvy s PHE 663 Ca 0.00 -0.06 -0.13 0.00 -0.05 0.00 0.00 56.93 56.69 2wvy s PHE 663 Cb 0.00 0.29 0.05 0.00 -0.63 0.00 0.00 43.02 42.73 2wvy s PHE 663 CO 0.00 -0.72 0.43 -0.47 -0.05 0.00 0.00 175.22 174.41 2wvy s TYR 664 N -3.78 -0.53 -1.07 3.49 5.04 0.40 -3.98 117.35 116.93 2wvy s TYR 664 Ca 0.03 1.21 -0.22 0.00 -2.44 0.00 0.00 57.07 55.65 2wvy s TYR 664 Cb 0.02 0.21 0.06 0.00 0.35 0.00 0.00 41.96 42.59 2wvy s TYR 664 CO -0.12 -0.27 1.50 -1.25 -1.34 0.00 0.00 175.55 174.07 2wvy s PRO 665 N 0.65 3.67 0.23 4.97 0.04 -1.26 -0.59 135.00 142.71 2wvy s PRO 665 Ca -0.03 -1.32 -0.07 0.00 0.04 0.00 0.00 61.00 59.61 2wvy s PRO 665 Cb -0.05 -5.38 0.21 0.00 0.04 0.00 0.00 34.50 29.33 2wvy s PRO 665 CO -0.04 -2.20 1.89 0.28 0.04 0.00 0.00 177.00 176.96 2wvy h VAL 666 N 6.51 1.24 -2.85 -0.36 2.07 -1.89 -3.37 116.25 117.61 2wvy h VAL 666 Ca 0.25 -0.50 -0.61 0.00 0.82 0.00 0.00 66.70 66.66 2wvy h VAL 666 Cb 0.98 -0.05 -0.40 0.00 -1.52 0.00 0.00 31.29 30.30 2wvy h VAL 666 CO 1.42 0.25 -0.76 0.00 0.02 0.00 0.00 177.57 178.50 2wvy n PRO 668 N 3.00 2.12 0.00 0.00 -0.02 -1.26 -1.45 135.00 137.39 2wvy n PRO 668 Ca 0.17 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2wvy n PRO 668 Cb 0.38 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2wvy n PRO 668 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wvy n GLY 669 N 0.71 3.08 3.24 -1.23 0.00 -1.26 -4.81 105.19 104.92 2wvy n GLY 669 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2wvy n GLY 669 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wvy s MET 670 N -0.64 3.10 -1.32 1.61 -2.45 -0.53 -4.77 119.30 114.31 2wvy s MET 670 Ca 0.00 -0.80 -0.16 0.00 -1.25 0.00 0.00 55.69 53.48 2wvy s MET 670 Cb 0.00 -2.95 -0.00 0.00 1.25 0.00 0.00 34.83 33.13 2wvy s MET 670 CO 0.00 -0.29 2.16 -0.35 1.05 0.00 0.00 175.02 177.59 2wvy n PRO 671 N 4.72 2.57 -3.91 4.11 -0.04 -1.26 -4.79 135.00 136.40 2wvy n PRO 671 Ca -0.18 -2.45 -0.10 0.00 -0.04 0.00 0.00 63.50 60.73 2wvy n PRO 671 Cb 0.49 -3.21 -0.10 0.00 -0.04 0.00 0.00 33.50 30.64 2wvy n PRO 671 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2wvy s GLU 672 N 3.58 0.47 -0.13 0.54 2.02 -1.26 -0.96 118.70 122.96 2wvy s GLU 672 Ca 0.49 -0.53 -0.00 0.00 0.02 0.00 0.00 54.97 54.95 2wvy s GLU 672 Cb 0.14 0.19 0.03 0.00 0.10 0.00 0.00 34.13 34.58 2wvy s GLU 672 CO -0.05 -0.11 -0.08 0.71 0.02 0.00 0.00 175.26 175.76 2wvy s TYR 673 N -1.68 1.64 0.32 1.61 2.02 0.37 -4.51 117.35 117.12 2wvy s TYR 673 Ca -0.13 -0.88 -0.29 0.00 -0.37 0.00 0.00 57.07 55.40 2wvy s TYR 673 Cb -0.07 -1.31 -0.10 0.00 -0.40 0.00 0.00 41.96 40.08 2wvy s TYR 673 CO -0.00 -0.56 1.31 0.00 -1.57 0.00 0.00 175.55 174.73 2wvy s ALA 674 N 1.66 3.51 -0.02 3.71 0.00 0.24 -1.63 121.76 129.23 2wvy s ALA 674 Ca 0.04 1.25 -0.21 0.00 0.00 0.00 0.00 51.96 53.04 2wvy s ALA 674 Cb -0.13 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 2wvy s ALA 674 CO -0.08 -0.63 0.62 0.42 0.00 0.00 0.00 175.76 176.08 2wvy s ILE 675 N -1.01 4.94 0.00 0.00 1.01 -0.15 -0.45 121.20 125.54 2wvy s ILE 675 Ca 0.50 1.30 0.00 0.00 0.00 0.00 0.00 60.65 62.44 2wvy s ILE 675 Cb -0.40 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.11 2wvy s ILE 675 CO 0.51 0.37 0.00 0.61 0.00 0.00 0.00 174.94 176.44 2wvy n GLY 676 N 2.64 0.90 3.39 6.18 0.00 0.35 -4.90 105.19 113.75 2wvy n GLY 676 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 2wvy n GLY 676 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wvy s SER 677 N 0.23 -0.59 0.60 1.61 0.15 -1.26 -4.60 113.70 109.85 2wvy s SER 677 Ca 0.00 1.15 -0.17 0.00 0.70 0.00 0.00 55.95 57.63 2wvy s SER 677 Cb 0.00 1.38 -0.03 0.00 -1.71 0.00 0.00 66.02 65.66 2wvy s SER 677 CO 0.00 -0.22 1.12 -2.16 1.20 0.00 0.00 173.24 173.17 2wvy s PRO 678 N 2.20 3.08 -0.01 5.44 0.04 -1.26 -4.47 135.00 140.03 2wvy s PRO 678 Ca -0.06 1.48 0.17 0.00 0.04 0.00 0.00 61.00 62.63 2wvy s PRO 678 Cb -0.10 -1.98 -0.19 0.00 0.04 0.00 0.00 34.50 32.27 2wvy s PRO 678 CO -0.15 -1.04 0.65 -0.11 0.04 0.00 0.00 177.00 176.39 2wvy n LEU 679 N -1.88 0.67 -4.81 -3.56 7.94 -0.23 -4.95 117.00 110.18 2wvy n LEU 679 Ca 0.11 0.30 -0.22 0.00 -1.11 0.00 0.00 56.01 55.09 2wvy n LEU 679 Cb 0.52 0.15 -0.05 0.00 0.53 0.00 0.00 43.42 44.57 2wvy n LEU 679 CO 0.45 0.23 -0.09 -0.36 -1.11 0.00 0.00 177.39 176.51 2wvy s PHE 680 N -2.84 2.72 0.16 1.96 0.08 -1.26 -4.92 117.98 113.87 2wvy s PHE 680 Ca -0.05 -0.46 0.23 0.00 0.12 0.00 0.00 56.93 56.77 2wvy s PHE 680 Cb 0.09 -1.95 0.89 0.00 -0.57 0.00 0.00 43.02 41.47 2wvy s PHE 680 CO 0.82 0.09 1.82 0.87 -0.10 0.00 0.00 175.22 178.72 2wvy h LYS 681 N 1.26 0.00 -2.01 0.44 1.57 -0.71 -3.41 116.57 113.71 2wvy h LYS 681 Ca -0.43 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.34 2wvy h LYS 681 Cb 1.26 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.36 2wvy h LYS 681 CO 0.62 0.25 0.07 0.21 -0.57 0.00 0.00 179.45 180.03 2wvy s LYS 682 N -3.68 0.78 -0.05 3.15 2.20 -0.50 -0.38 119.74 121.26 2wvy s LYS 682 Ca 0.00 1.09 0.03 0.00 -0.36 0.00 0.00 55.97 56.74 2wvy s LYS 682 Cb 0.11 0.29 0.01 0.00 -1.51 0.00 0.00 37.83 36.72 2wvy s LYS 682 CO 0.65 -0.12 -0.13 0.14 -0.36 0.00 0.00 175.35 175.52 2wvy s VAL 683 N 0.94 1.15 -0.20 4.02 -7.23 -0.72 -0.54 120.40 117.82 2wvy s VAL 683 Ca -0.04 -0.53 -0.03 0.00 -1.81 0.00 0.00 61.98 59.57 2wvy s VAL 683 Cb -0.05 -1.02 -0.01 0.00 0.56 0.00 0.00 36.38 35.86 2wvy s VAL 683 CO -0.08 0.35 -0.07 -0.89 -0.31 0.00 0.00 175.10 174.09 2wvy s THR 684 N 0.34 3.19 -0.25 5.32 2.01 -0.17 -0.99 115.64 125.10 2wvy s THR 684 Ca -0.08 -0.56 -0.14 0.00 0.31 0.00 0.00 61.69 61.21 2wvy s THR 684 Cb -0.13 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 2wvy s THR 684 CO 0.02 0.45 0.33 -0.76 -0.69 0.00 0.00 174.62 173.98 2wvy s LEU 685 N 1.25 4.08 -0.48 4.42 1.02 0.77 -0.69 118.68 129.05 2wvy s LEU 685 Ca 0.03 0.29 -0.18 0.00 0.02 0.00 0.00 54.13 54.29 2wvy s LEU 685 Cb -0.14 -2.37 0.05 0.00 0.02 0.00 0.00 46.19 43.74 2wvy s LEU 685 CO -0.03 -0.11 0.56 -1.00 0.02 0.00 0.00 176.35 175.79 2wvy s HIS 686 N 1.71 3.10 0.43 0.29 3.76 0.78 -1.35 115.29 124.01 2wvy s HIS 686 Ca 0.14 -0.50 0.08 0.00 -0.15 0.00 0.00 55.06 54.63 2wvy s HIS 686 Cb -0.15 -3.35 0.00 0.00 1.11 0.00 0.00 32.58 30.19 2wvy s HIS 686 CO 0.09 -0.92 0.50 -0.51 -0.85 0.00 0.00 174.74 173.04 2wvy s LEU 687 N 2.44 3.51 0.65 0.89 1.43 0.10 -4.90 118.68 122.79 2wvy s LEU 687 Ca 0.14 -0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 52.48 2wvy s LEU 687 Cb -0.19 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 2wvy s LEU 687 CO 0.12 -0.75 1.04 -2.65 0.23 0.00 0.00 176.35 174.35 2wvy n PRO 688 N -1.74 0.82 -2.19 1.29 -0.02 -1.26 -3.41 135.00 128.48 2wvy n PRO 688 Ca 0.06 0.33 -0.13 0.00 -2.02 0.00 0.00 63.50 61.74 2wvy n PRO 688 Cb 0.60 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 2wvy n PRO 688 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wvy n GLU 689 N -1.51 -1.05 -1.07 -0.52 1.02 -1.26 -3.02 120.64 113.23 2wvy n GLU 689 Ca 0.14 0.67 -0.02 0.00 -0.02 0.00 0.00 57.16 57.92 2wvy n GLU 689 Cb 0.48 -4.89 -0.01 0.00 -0.02 0.00 0.00 31.44 27.00 2wvy n GLU 689 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wvy n GLY 690 N -1.04 0.51 3.78 0.62 0.00 -1.22 -5.01 105.19 102.83 2wvy n GLY 690 Ca -0.16 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 2wvy n GLY 690 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wvy s LYS 691 N -1.37 4.60 -0.02 1.61 -0.14 -1.17 -4.95 119.74 118.30 2wvy s LYS 691 Ca 0.00 1.29 0.02 0.00 -1.36 0.00 0.00 55.97 55.92 2wvy s LYS 691 Cb 0.00 -2.93 0.00 0.00 -1.68 0.00 0.00 37.83 33.22 2wvy s LYS 691 CO 0.00 0.36 -0.06 0.54 -0.76 0.00 0.00 175.35 175.43 2wvy s ASN 692 N -1.51 0.78 -0.12 2.83 2.20 -1.26 -0.73 114.94 117.13 2wvy s ASN 692 Ca 0.47 -0.11 0.01 0.00 -0.94 0.00 0.00 52.86 52.28 2wvy s ASN 692 Cb -0.20 -0.19 -0.01 0.00 -2.00 0.00 0.00 41.25 38.85 2wvy s ASN 692 CO 0.25 0.03 -0.16 0.12 -2.94 0.00 0.00 177.10 174.40 2wvy s PHE 693 N 0.21 2.74 -0.18 1.54 5.36 -0.46 -0.98 117.98 126.19 2wvy s PHE 693 Ca -0.02 -0.81 -0.04 0.00 -0.96 0.00 0.00 56.93 55.10 2wvy s PHE 693 Cb -0.06 -1.81 -0.02 0.00 -0.34 0.00 0.00 43.02 40.78 2wvy s PHE 693 CO -0.00 -0.30 -0.03 0.08 -1.46 0.00 0.00 175.22 173.50 2wvy s VAL 694 N 0.41 3.72 -0.42 3.12 1.01 -0.30 -0.16 120.40 127.78 2wvy s VAL 694 Ca -0.12 -0.40 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 2wvy s VAL 694 Cb -0.16 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.58 2wvy s VAL 694 CO 0.06 0.45 0.49 -0.69 0.00 0.00 0.00 175.10 175.42 2wvy s VAL 695 N 0.85 5.02 -0.19 2.92 1.01 -0.16 -0.45 120.40 129.40 2wvy s VAL 695 Ca -0.01 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 2wvy s VAL 695 Cb -0.14 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 2wvy s VAL 695 CO 0.02 -0.44 0.03 -0.55 0.00 0.00 0.00 175.10 174.15 2wvy s SER 696 N 1.85 5.20 -0.39 3.32 0.15 0.09 -1.76 113.70 122.17 2wvy s SER 696 Ca 0.15 -0.06 0.08 0.00 0.70 0.00 0.00 55.95 56.82 2wvy s SER 696 Cb -0.16 -1.89 0.25 0.00 -1.71 0.00 0.00 66.02 62.51 2wvy s SER 696 CO 0.15 0.13 0.51 0.00 1.20 0.00 0.00 173.24 175.23 2wvy n ALA 697 N 3.83 2.45 0.25 5.45 0.00 0.49 0.31 120.51 133.29 2wvy n ALA 697 Ca -0.17 -3.38 0.14 0.00 0.00 0.00 0.00 53.44 50.03 2wvy n ALA 697 Cb 0.52 -0.81 0.80 0.00 0.00 0.00 0.00 19.45 19.97 2wvy n ALA 697 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wvy h ALA 698 N 4.09 1.79 -0.45 0.00 0.00 -1.72 -0.05 119.26 122.92 2wvy h ALA 698 Ca 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wvy h ALA 698 Cb 0.88 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2wvy h ALA 698 CO 0.46 -0.11 0.00 -0.25 0.00 0.00 0.00 179.25 179.35 2wvy n ASP 699 N -4.08 4.99 -4.76 0.00 8.00 -1.26 -4.99 116.55 114.46 2wvy n ASP 699 Ca -0.01 -2.98 -0.39 0.00 0.71 0.00 0.00 54.79 52.12 2wvy n ASP 699 Cb 0.17 -0.63 0.03 0.00 -0.02 0.00 0.00 41.12 40.67 2wvy n ASP 699 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2wvy s ASN 700 N -1.26 5.56 0.18 -2.24 3.84 -0.03 -4.72 114.94 116.26 2wvy s ASN 700 Ca 0.50 2.81 -0.24 0.00 0.21 0.00 0.00 52.86 56.14 2wvy s ASN 700 Cb 0.39 -2.64 0.06 0.00 -0.55 0.00 0.00 41.25 38.50 2wvy s ASN 700 CO 0.13 -1.38 0.79 0.00 -2.79 0.00 0.00 177.10 173.86 2wvy s ALA 701 N -1.27 -1.52 0.46 1.71 0.00 -1.26 -4.90 121.76 114.98 2wvy s ALA 701 Ca 0.67 0.18 0.19 0.00 0.00 0.00 0.00 51.96 52.99 2wvy s ALA 701 Cb -0.41 0.73 1.21 0.00 0.00 0.00 0.00 23.12 24.65 2wvy s ALA 701 CO 0.51 -0.93 2.05 0.00 0.00 0.00 0.00 175.76 177.38 2wvy h ALA 702 N 2.00 1.60 -0.42 0.00 0.00 -1.96 -1.02 119.26 119.46 2wvy h ALA 702 Ca -0.24 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2wvy h ALA 702 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2wvy h ALA 702 CO 0.28 0.17 0.00 -0.40 0.00 0.00 0.00 179.25 179.30 2wvy n ASP 703 N -4.13 2.66 -3.42 0.00 5.75 -1.26 -4.63 116.55 111.52 2wvy n ASP 703 Ca -0.02 -1.94 -0.26 0.00 -0.01 0.00 0.00 54.79 52.55 2wvy n ASP 703 Cb 0.22 -0.28 -0.08 0.00 -1.03 0.00 0.00 41.12 39.94 2wvy n ASP 703 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wvy n ARG 704 N 0.95 1.73 0.04 0.11 1.74 -0.39 -4.24 116.66 116.61 2wvy n ARG 704 Ca 0.17 -4.12 0.13 0.00 -0.77 0.00 0.00 57.85 53.26 2wvy n ARG 704 Cb 0.44 -1.92 0.34 0.00 -1.02 0.00 0.00 32.46 30.31 2wvy n ARG 704 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2wvy n PRO 705 N 1.31 0.16 -3.35 5.56 -0.04 -1.21 -4.26 135.00 133.17 2wvy n PRO 705 Ca 0.26 0.08 -0.38 0.00 -0.04 0.00 0.00 63.50 63.42 2wvy n PRO 705 Cb 0.44 -1.63 -0.06 0.00 -0.04 0.00 0.00 33.50 32.21 2wvy n PRO 705 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2wvy s TYR 706 N -3.08 3.75 -0.50 0.54 2.02 -0.92 -4.68 117.35 114.48 2wvy s TYR 706 Ca 0.10 1.16 -0.24 0.00 -0.37 0.00 0.00 57.07 57.73 2wvy s TYR 706 Cb 0.15 -2.42 0.04 0.00 -0.40 0.00 0.00 41.96 39.33 2wvy s TYR 706 CO 0.65 0.58 0.88 0.42 -1.57 0.00 0.00 175.55 176.51 2wvy s ILE 707 N -1.16 4.49 0.10 2.71 1.01 -1.26 -0.33 121.20 126.76 2wvy s ILE 707 Ca 0.29 0.37 -0.09 0.00 0.00 0.00 0.00 60.65 61.23 2wvy s ILE 707 Cb -0.18 -4.45 -0.22 0.00 0.01 0.00 0.00 42.46 37.62 2wvy s ILE 707 CO 0.18 -0.94 1.23 -0.09 0.00 0.00 0.00 174.94 175.31 2wvy h ARG 708 N 9.17 0.52 -2.38 2.79 2.43 -1.06 -3.40 114.38 122.44 2wvy h ARG 708 Ca -0.25 -0.60 -0.00 0.00 -0.81 0.00 0.00 59.98 58.32 2wvy h ARG 708 Cb 1.08 0.18 -0.16 0.00 -0.42 0.00 0.00 29.97 30.65 2wvy h ARG 708 CO 1.04 1.22 0.29 0.21 -1.51 0.00 0.00 179.97 181.22 2wvy s LYS 709 N -3.19 1.05 -0.07 0.20 2.20 -1.22 -4.90 119.74 113.82 2wvy s LYS 709 Ca -0.07 -0.12 -0.11 0.00 -0.36 0.00 0.00 55.97 55.31 2wvy s LYS 709 Cb 0.08 0.49 0.02 0.00 -1.51 0.00 0.00 37.83 36.91 2wvy s LYS 709 CO 0.90 -0.41 0.27 0.00 -0.36 0.00 0.00 175.35 175.75 2wvy s ALA 710 N -2.48 -0.67 -0.09 3.13 0.00 -1.26 -1.36 121.76 119.04 2wvy s ALA 710 Ca -0.03 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.56 2wvy s ALA 710 Cb -0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 2wvy s ALA 710 CO -0.03 -0.17 -0.24 -0.51 0.00 0.00 0.00 175.76 174.82 2wvy s LEU 711 N -0.34 2.12 -0.35 0.00 1.43 -0.27 -1.29 118.68 119.97 2wvy s LEU 711 Ca -0.05 -0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 52.43 2wvy s LEU 711 Cb -0.03 -1.41 0.03 0.00 0.03 0.00 0.00 46.19 44.81 2wvy s LEU 711 CO 0.01 0.18 0.15 -0.22 0.23 0.00 0.00 176.35 176.71 2wvy s LEU 712 N 0.22 4.48 -1.52 1.79 2.96 0.29 -0.17 118.68 126.73 2wvy s LEU 712 Ca -0.15 -1.04 -0.13 0.00 -0.22 0.00 0.00 54.13 52.59 2wvy s LEU 712 Cb -0.17 -1.95 0.08 0.00 0.50 0.00 0.00 46.19 44.66 2wvy s LEU 712 CO 0.08 -0.35 0.95 0.59 -1.32 0.00 0.00 176.35 176.30 2wvy n ASN 713 N 4.91 -4.40 0.00 3.68 5.03 -0.25 -2.00 115.26 122.23 2wvy n ASN 713 Ca -0.12 -0.80 0.00 0.00 0.87 0.00 0.00 54.58 54.53 2wvy n ASN 713 Cb 0.46 -3.84 0.00 0.00 -1.02 0.00 0.00 39.78 35.37 2wvy n ASN 713 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wvy n GLY 714 N -1.68 1.22 3.51 7.41 0.00 -1.26 -5.03 105.19 109.36 2wvy n GLY 714 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2wvy n GLY 714 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wvy s GLN 715 N -0.45 3.19 0.23 1.61 -1.52 -0.85 -5.02 119.66 116.86 2wvy s GLN 715 Ca 0.00 -0.57 -0.30 0.00 -1.95 0.00 0.00 55.36 52.54 2wvy s GLN 715 Cb 0.00 -2.70 -0.15 0.00 -0.22 0.00 0.00 33.01 29.93 2wvy s GLN 715 CO 0.00 0.42 0.99 -1.91 -0.25 0.00 0.00 175.29 174.54 2wvy n GLU 716 N 2.95 1.05 -3.69 2.91 2.13 -1.26 -0.54 120.64 124.18 2wvy n GLU 716 Ca -0.18 0.37 -0.18 0.00 0.66 0.00 0.00 57.16 57.83 2wvy n GLU 716 Cb 0.53 -1.73 -0.17 0.00 0.27 0.00 0.00 31.44 30.34 2wvy n GLU 716 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2wvy s PHE 717 N -0.73 -0.02 0.00 4.31 5.36 -0.41 -4.74 117.98 121.75 2wvy s PHE 717 Ca 0.65 0.35 0.00 0.00 -0.96 0.00 0.00 56.93 56.97 2wvy s PHE 717 Cb -0.80 -0.36 0.00 0.00 -0.34 0.00 0.00 43.02 41.52 2wvy s PHE 717 CO 0.57 -0.19 0.42 0.25 -1.46 0.00 0.00 175.22 174.80 2wvy n THR 718 N 5.06 0.14 -2.36 0.12 -2.24 -1.26 -4.18 114.28 109.56 2wvy n THR 718 Ca -0.09 -0.37 -0.36 0.00 -2.27 0.00 0.00 64.05 60.96 2wvy n THR 718 Cb 0.50 1.24 -0.02 0.00 -2.10 0.00 0.00 70.33 69.95 2wvy n THR 718 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wvy s ARG 719 N -0.14 3.80 -0.23 -0.78 0.52 -1.26 -3.89 118.95 116.96 2wvy s ARG 719 Ca 0.00 1.63 0.06 0.00 -0.52 0.00 0.00 55.73 56.90 2wvy s ARG 719 Cb 0.00 -2.34 0.49 0.00 0.52 0.00 0.00 34.95 33.62 2wvy s ARG 719 CO 0.00 -0.49 1.48 0.09 0.02 0.00 0.00 175.30 176.41 2wvy n ASN 720 N -0.57 3.80 -3.55 0.23 3.02 0.16 -4.88 115.26 113.47 2wvy n ASN 720 Ca 0.08 -2.86 -0.14 0.00 -0.03 0.00 0.00 54.58 51.63 2wvy n ASN 720 Cb 0.49 -0.68 -0.05 0.00 -0.61 0.00 0.00 39.78 38.94 2wvy n ASN 720 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2wvy s TYR 721 N -2.18 -0.46 0.01 3.10 -0.85 -1.26 -0.98 117.35 114.73 2wvy s TYR 721 Ca 0.37 0.49 0.05 0.00 -0.52 0.00 0.00 57.07 57.46 2wvy s TYR 721 Cb 0.30 0.38 -0.03 0.00 0.38 0.00 0.00 41.96 42.99 2wvy s TYR 721 CO 0.09 -0.68 -0.14 -0.51 -1.52 0.00 0.00 175.55 172.79 2wvy s LEU 722 N -2.06 2.77 0.48 -3.49 1.43 -0.65 -4.93 118.68 112.24 2wvy s LEU 722 Ca -0.04 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 2wvy s LEU 722 Cb -0.01 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 2wvy s LEU 722 CO -0.03 0.29 0.81 0.42 0.23 0.00 0.00 176.35 178.07 2wvy s THR 723 N -0.89 4.87 0.22 5.49 -4.23 -1.26 -0.47 115.64 119.36 2wvy s THR 723 Ca 0.14 0.33 -0.08 0.00 -1.18 0.00 0.00 61.69 60.91 2wvy s THR 723 Cb -0.11 -3.85 0.16 0.00 1.34 0.00 0.00 72.50 70.05 2wvy s THR 723 CO 0.05 -0.83 1.81 -0.74 -0.54 0.00 0.00 174.62 174.37 2wvy h HIS 724 N 0.33 0.73 -0.82 3.99 2.76 -1.40 -1.77 115.15 118.97 2wvy h HIS 724 Ca -0.47 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 57.78 2wvy h HIS 724 Cb 1.20 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 29.89 2wvy h HIS 724 CO 0.60 0.34 0.54 -0.44 -1.30 0.00 0.00 177.93 177.66 2wvy h ASP 725 N 0.72 0.82 -0.60 3.26 3.32 -1.94 0.14 116.42 122.15 2wvy h ASP 725 Ca 0.32 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.33 2wvy h ASP 725 Cb 0.22 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2wvy h ASP 725 CO -0.19 0.54 0.21 -0.33 -1.72 0.00 0.00 179.24 177.75 2wvy h GLU 726 N 0.94 0.96 -0.00 3.56 5.08 -1.71 -2.14 114.58 121.27 2wvy h GLU 726 Ca 0.35 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2wvy h GLU 726 Cb 0.17 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.27 2wvy h GLU 726 CO -0.12 0.81 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.31 2wvy h LEU 727 N 0.93 0.29 -0.91 1.33 3.38 -1.10 -3.32 115.31 115.91 2wvy h LEU 727 Ca 0.21 -0.77 0.13 0.00 0.09 0.00 0.00 57.88 57.54 2wvy h LEU 727 Cb 0.24 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 2wvy h LEU 727 CO -0.01 1.02 0.52 0.50 0.09 0.00 0.00 178.44 180.56 2wvy h LYS 728 N -0.41 0.76 0.00 1.13 3.64 -0.55 -0.47 116.57 120.66 2wvy h LYS 728 Ca -0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2wvy h LYS 728 Cb 1.07 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2wvy h LYS 728 CO 0.06 0.50 0.00 0.00 -2.27 0.00 0.00 179.45 177.75 2wvy n GLN 729 N -4.76 0.02 0.00 1.90 10.64 -0.82 -4.85 117.38 119.51 2wvy n GLN 729 Ca 0.18 0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.43 2wvy n GLN 729 Cb 0.39 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.27 2wvy n GLN 729 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2wvy n GLY 730 N 0.94 -1.53 0.00 2.61 0.00 -0.19 -4.82 105.19 102.21 2wvy n GLY 730 Ca 0.06 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2wvy n GLY 730 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvy n GLY 731 N -1.86 0.42 3.40 -0.02 0.00 -0.16 -4.88 105.19 102.10 2wvy n GLY 731 Ca 0.00 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.22 2wvy n GLY 731 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wvy s GLU 732 N -1.16 0.57 -0.31 1.61 2.12 -1.26 -1.15 118.70 119.12 2wvy s GLU 732 Ca 0.00 0.74 -0.06 0.00 0.36 0.00 0.00 54.97 56.01 2wvy s GLU 732 Cb 0.00 0.25 0.03 0.00 0.26 0.00 0.00 34.13 34.66 2wvy s GLU 732 CO 0.00 -0.08 0.07 -1.17 -0.54 0.00 0.00 175.26 173.53 2wvy s LEU 733 N 0.47 3.99 -0.32 2.70 2.96 0.41 -1.09 118.68 127.78 2wvy s LEU 733 Ca -0.02 -0.97 -0.10 0.00 -0.22 0.00 0.00 54.13 52.83 2wvy s LEU 733 Cb -0.04 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 44.81 2wvy s LEU 733 CO -0.02 -0.25 0.16 0.21 -1.32 0.00 0.00 176.35 175.13 2wvy s ASN 734 N 1.42 5.55 -0.06 3.68 3.84 0.76 -0.73 114.94 129.39 2wvy s ASN 734 Ca -0.00 -0.64 0.00 0.00 0.21 0.00 0.00 52.86 52.43 2wvy s ASN 734 Cb -0.18 -1.99 -0.03 0.00 -0.55 0.00 0.00 41.25 38.49 2wvy s ASN 734 CO 0.02 -0.23 -0.04 -0.76 -2.79 0.00 0.00 177.10 173.29 2wvy s LEU 735 N 1.59 3.33 -0.36 3.21 1.43 0.15 -1.12 118.68 126.90 2wvy s LEU 735 Ca 0.04 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 2wvy s LEU 735 Cb -0.17 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.28 2wvy s LEU 735 CO 0.06 0.35 0.21 -0.44 0.23 0.00 0.00 176.35 176.76 2wvy s SER 736 N -0.99 5.78 0.42 2.29 0.01 -0.46 -4.17 113.70 116.59 2wvy s SER 736 Ca 0.14 -0.84 -0.07 0.00 1.31 0.00 0.00 55.95 56.49 2wvy s SER 736 Cb -0.11 -2.05 -0.05 0.00 0.21 0.00 0.00 66.02 64.02 2wvy s SER 736 CO 0.03 -0.35 0.75 -0.04 0.41 0.00 0.00 173.24 174.05 2wvy s MET 737 N 1.60 3.66 0.09 12.44 1.00 -1.26 -0.46 119.30 136.37 2wvy s MET 737 Ca 0.03 0.29 -0.15 0.00 0.00 0.00 0.00 55.69 55.87 2wvy s MET 737 Cb -0.19 -2.42 0.03 0.00 0.00 0.00 0.00 34.83 32.25 2wvy s MET 737 CO 0.07 -0.08 0.35 0.34 0.00 0.00 0.00 175.02 175.71 2wvy s ASP 738 N -3.57 -0.17 0.00 3.03 -1.08 0.56 -4.75 116.67 110.69 2wvy s ASP 738 Ca 0.49 -0.28 0.26 0.00 -0.52 0.00 0.00 52.55 52.50 2wvy s ASP 738 Cb -0.10 0.42 0.72 0.00 -1.46 0.00 0.00 42.92 42.49 2wvy s ASP 738 CO 0.37 -0.75 1.54 -1.54 0.52 0.00 0.00 175.17 175.32 2wvy n SER 739 N 0.11 1.31 -4.21 -0.34 3.41 -1.26 -2.17 113.62 110.46 2wvy n SER 739 Ca -0.17 -1.13 -0.21 0.00 -0.26 0.00 0.00 58.87 57.10 2wvy n SER 739 Cb 0.62 0.14 -0.12 0.00 -0.26 0.00 0.00 64.21 64.58 2wvy n SER 739 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2wvy s VAL 740 N -2.37 1.36 0.48 -3.33 -7.23 -1.26 -4.92 120.40 103.12 2wvy s VAL 740 Ca 0.27 -1.35 -0.23 0.00 -1.81 0.00 0.00 61.98 58.86 2wvy s VAL 740 Cb 0.20 -1.26 -0.07 0.00 0.56 0.00 0.00 36.38 35.81 2wvy s VAL 740 CO 0.48 -0.12 1.22 -2.16 -0.31 0.00 0.00 175.10 174.21 2wvy s PRO 741 N -1.70 3.62 -0.56 4.82 0.04 -1.26 -4.81 135.00 135.14 2wvy s PRO 741 Ca 0.02 1.90 -0.16 0.00 0.04 0.00 0.00 61.00 62.80 2wvy s PRO 741 Cb -0.10 -2.39 0.14 0.00 0.04 0.00 0.00 34.50 32.19 2wvy s PRO 741 CO 0.03 -0.70 0.53 1.21 0.04 0.00 0.00 177.00 178.11 2wvy s ASN 742 N -1.24 6.23 0.00 6.66 3.84 -1.26 -4.93 114.94 124.25 2wvy s ASN 742 Ca 0.65 -1.84 0.24 0.00 0.21 0.00 0.00 52.86 52.12 2wvy s ASN 742 Cb -0.32 -2.21 1.38 0.00 -0.55 0.00 0.00 41.25 39.55 2wvy s ASN 742 CO 0.38 -0.85 1.89 0.00 -2.79 0.00 0.00 177.10 175.74 2wvy n GLN 743 N 5.20 1.07 0.02 0.43 6.02 -1.26 -2.67 117.38 126.18 2wvy n GLN 743 Ca -0.12 -0.11 0.11 0.00 -0.01 0.00 0.00 57.00 56.88 2wvy n GLN 743 Cb 0.41 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 30.26 2wvy n GLN 743 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2wvy n GLN 744 N -0.76 0.27 -3.32 -1.09 6.02 -1.26 -4.90 117.38 112.34 2wvy n GLN 744 Ca 0.18 -0.03 -0.38 0.00 -0.01 0.00 0.00 57.00 56.76 2wvy n GLN 744 Cb 0.11 -1.56 -0.06 0.00 1.02 0.00 0.00 30.24 29.75 2wvy n GLN 744 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2wvy s ARG 745 N -3.20 4.30 -0.97 -1.09 3.52 -1.09 -4.29 118.95 116.13 2wvy s ARG 745 Ca 0.03 0.48 -0.03 0.00 -0.13 0.00 0.00 55.73 56.08 2wvy s ARG 745 Cb 0.15 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 2wvy s ARG 745 CO 0.83 0.23 0.38 0.41 -0.81 0.00 0.00 175.30 176.34 2wvy n GLY 746 N 3.03 -0.07 0.71 8.12 0.00 -1.25 -4.71 105.19 111.02 2wvy n GLY 746 Ca -0.08 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.81 2wvy n GLY 746 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wvy n THR 747 N -4.03 0.02 -3.87 2.61 -2.24 -1.26 -4.61 114.28 100.89 2wvy n THR 747 Ca -0.07 -0.51 -0.31 0.00 -2.27 0.00 0.00 64.05 60.88 2wvy n THR 747 Cb 0.58 1.35 -0.04 0.00 -2.10 0.00 0.00 70.33 70.11 2wvy n THR 747 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2wvy s GLN 748 N -1.46 3.47 0.41 -0.78 -1.52 -1.26 -4.79 119.66 113.73 2wvy s GLN 748 Ca 0.21 -0.36 0.19 0.00 -1.95 0.00 0.00 55.36 53.46 2wvy s GLN 748 Cb 0.15 -3.02 1.13 0.00 -0.22 0.00 0.00 33.01 31.05 2wvy s GLN 748 CO 0.22 0.60 1.78 -1.35 -0.25 0.00 0.00 175.29 176.29 2wvy h PRO 749 N 3.15 0.36 0.00 2.91 0.11 -1.97 0.29 132.00 136.84 2wvy h PRO 749 Ca -0.46 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2wvy h PRO 749 Cb 1.16 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2wvy h PRO 749 CO 0.74 0.24 -0.15 0.00 -0.21 0.00 0.00 178.00 178.62 2wvy h ALA 750 N 1.61 1.34 0.00 -0.75 0.00 -2.00 -2.84 119.26 116.62 2wvy h ALA 750 Ca 0.58 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2wvy h ALA 750 Cb 1.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2wvy h ALA 750 CO -0.27 0.19 0.00 -0.44 0.00 0.00 0.00 179.25 178.73 2wvy h ASP 751 N 0.00 0.00 -3.70 0.00 3.32 -0.72 -3.47 116.42 111.85 2wvy h ASP 751 Ca -0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 2wvy h ASP 751 Cb 0.37 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 2wvy h ASP 751 CO 0.02 0.00 0.17 -0.36 -1.72 0.00 0.00 179.24 177.35 2wvy s PHE 752 N -3.13 3.58 0.55 4.55 0.08 -1.07 -0.66 117.98 121.87 2wvy s PHE 752 Ca 0.10 1.46 -0.09 0.00 0.12 0.00 0.00 56.93 58.51 2wvy s PHE 752 Cb 0.11 -2.69 0.13 0.00 -0.57 0.00 0.00 43.02 40.00 2wvy s PHE 752 CO 0.61 0.23 0.63 -0.35 -0.10 0.00 0.00 175.22 176.23 2wvy n PRO 753 N 0.37 -1.26 -2.25 0.24 -0.05 -1.26 -4.93 135.00 125.85 2wvy n PRO 753 Ca 0.00 -0.99 -0.37 0.00 -0.05 0.00 0.00 63.50 62.10 2wvy n PRO 753 Cb 0.51 -0.76 -0.01 0.00 -0.05 0.00 0.00 33.50 33.20 2wvy n PRO 753 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 175.50 174.98 2wvy s TYR 754 N -2.29 2.87 -0.04 0.54 5.04 -1.26 -4.99 117.35 117.22 2wvy s TYR 754 Ca 0.38 1.54 -0.06 0.00 -2.44 0.00 0.00 57.07 56.48 2wvy s TYR 754 Cb -0.02 -3.38 0.01 0.00 0.35 0.00 0.00 41.96 38.92 2wvy s TYR 754 CO 0.27 -1.51 0.14 -1.12 -1.34 0.00 0.00 175.55 171.99 2wvy s SER 755 N -1.36 -0.09 0.40 4.32 0.01 -1.26 -4.63 113.70 111.08 2wvy s SER 755 Ca 0.64 0.13 0.15 0.00 1.31 0.00 0.00 55.95 58.18 2wvy s SER 755 Cb -0.29 0.27 1.02 0.00 0.21 0.00 0.00 66.02 67.23 2wvy s SER 755 CO 0.35 -0.15 1.84 0.22 0.41 0.00 0.00 173.24 175.90 2wvy h TYR 756 N 5.41 0.65 -0.00 2.43 3.20 -1.01 -2.81 116.97 124.84 2wvy h TYR 756 Ca -0.27 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.62 2wvy h TYR 756 Cb 1.20 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.27 2wvy h TYR 756 CO 0.47 0.16 -0.51 0.43 -1.64 0.00 0.00 178.16 177.07 2wvy n SER 757 N -4.56 0.61 0.00 -2.11 7.64 -1.26 -5.08 113.62 108.86 2wvy n SER 757 Ca 0.20 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2wvy n SER 757 Cb 0.69 0.29 0.00 0.00 -1.01 0.00 0.00 64.21 64.18 2wvy n SER 757 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32