#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wvy n LYS 23 N 0.00 0.64 -4.39 -1.46 4.81 -1.26 -5.01 118.16 111.49 2wvy n LYS 23 Ca 0.00 0.23 -0.21 0.00 -0.87 0.00 0.00 58.31 57.46 2wvy n LYS 23 Cb 0.00 -1.66 -0.10 0.00 0.02 0.00 0.00 35.03 33.29 2wvy n LYS 23 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2wvy s LYS 24 N -0.28 1.44 0.10 1.64 1.02 -1.26 -5.06 119.74 117.35 2wvy s LYS 24 Ca 0.78 -1.62 -0.19 0.00 0.02 0.00 0.00 55.97 54.96 2wvy s LYS 24 Cb -1.00 -1.39 -0.07 0.00 -0.52 0.00 0.00 37.83 34.86 2wvy s LYS 24 CO 0.54 0.25 1.60 1.15 -0.92 0.00 0.00 175.35 177.96 2wvy h THR 25 N 2.58 1.21 -3.63 2.17 2.02 -2.09 -3.37 112.91 111.80 2wvy h THR 25 Ca -0.40 -0.68 -0.69 0.00 0.77 0.00 0.00 66.41 65.41 2wvy h THR 25 Cb 1.23 1.16 -0.26 0.00 -1.74 0.00 0.00 68.15 68.54 2wvy h THR 25 CO 0.59 0.22 -0.59 -0.69 0.37 0.00 0.00 175.52 175.42 2wvy s VAL 26 N -5.31 4.05 0.42 3.16 1.01 -1.26 -5.11 120.40 117.36 2wvy s VAL 26 Ca -0.14 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 2wvy s VAL 26 Cb 0.08 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 2wvy s VAL 26 CO 0.73 -0.06 0.65 -1.61 0.00 0.00 0.00 175.10 174.81 2wvy s GLU 27 N 1.48 3.26 0.23 2.72 0.41 -1.26 -4.97 118.70 120.56 2wvy s GLU 27 Ca 0.01 -0.33 -0.07 0.00 -0.41 0.00 0.00 54.97 54.16 2wvy s GLU 27 Cb -0.18 -2.56 0.38 0.00 -1.78 0.00 0.00 34.13 29.98 2wvy s GLU 27 CO 0.04 -0.14 1.70 0.74 -0.49 0.00 0.00 175.26 177.11 2wvy h PHE 28 N 0.47 0.26 0.00 1.61 0.04 -1.96 -0.12 116.94 117.25 2wvy h PHE 28 Ca -0.47 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.31 2wvy h PHE 28 Cb 1.24 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.37 2wvy h PHE 28 CO 0.49 -0.04 -0.12 -0.24 -0.60 0.00 0.00 178.31 177.80 2wvy h VAL 29 N 0.29 0.68 0.00 -0.55 3.04 -1.91 -1.39 116.25 116.41 2wvy h VAL 29 Ca 0.36 -0.49 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 2wvy h VAL 29 Cb 0.57 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 2wvy h VAL 29 CO -0.44 0.12 0.00 0.44 -1.01 0.00 0.00 177.57 176.67 2wvy h ASP 30 N 0.00 0.00 0.78 3.17 3.32 -1.39 -1.71 116.42 120.59 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 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2wvy h ASP 30 CO 0.02 0.00 -0.32 -1.22 -1.72 0.00 0.00 179.24 175.99 2wvy n TYR 31 N -2.99 0.14 -2.75 4.55 4.01 -0.52 -4.89 117.16 114.70 2wvy n TYR 31 Ca -0.01 0.04 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 2wvy n TYR 31 Cb 0.16 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 38.73 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 -3.03 4.81 -0.42 -0.72 1.01 -0.65 -4.33 120.40 117.08 2wvy s VAL 32 Ca 0.11 1.91 -0.07 0.00 0.00 0.00 0.00 61.98 63.94 2wvy s VAL 32 Cb 0.17 -4.26 0.09 0.00 0.00 0.00 0.00 36.38 32.38 2wvy s VAL 32 CO 0.64 0.01 0.24 0.21 0.00 0.00 0.00 175.10 176.20 2wvy s ASN 33 N 1.11 5.49 0.01 3.32 2.47 -1.26 -4.80 114.94 121.27 2wvy s ASN 33 Ca 0.45 -1.70 0.11 0.00 0.42 0.00 0.00 52.86 52.14 2wvy s ASN 33 Cb -0.18 -1.93 0.49 0.00 -1.45 0.00 0.00 41.25 38.19 2wvy s ASN 33 CO 0.16 -0.55 1.36 -2.65 -3.72 0.00 0.00 177.10 171.70 2wvy n PRO 34 N 4.81 0.01 0.00 0.43 -0.02 -1.26 -1.78 135.00 137.18 2wvy n PRO 34 Ca -0.08 0.32 0.14 0.00 -2.02 0.00 0.00 63.50 61.86 2wvy n PRO 34 Cb 0.42 -1.52 0.59 0.00 -0.02 0.00 0.00 33.50 32.97 2wvy n PRO 34 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wvy n LEU 35 N -1.53 0.64 -4.67 2.45 4.77 -1.26 -3.91 117.00 113.48 2wvy n LEU 35 Ca 0.03 -0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 2wvy n LEU 35 Cb 0.13 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 2wvy n LEU 35 CO 0.10 0.12 1.52 -0.32 -1.33 0.00 0.00 177.39 177.48 2wvy s MET 36 N -2.40 4.15 0.00 3.23 1.75 -0.73 -1.75 119.30 123.54 2wvy s MET 36 Ca 0.30 2.55 0.00 0.00 -1.25 0.00 0.00 55.69 57.29 2wvy s MET 36 Cb 0.20 -3.90 0.00 0.00 2.84 0.00 0.00 34.83 33.97 2wvy s MET 36 CO 0.46 -0.89 0.00 0.41 -0.65 0.00 0.00 175.02 174.35 2wvy n GLY 37 N 4.36 0.78 0.14 2.11 0.00 -0.67 -4.91 105.19 107.00 2wvy n GLY 37 Ca 0.19 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.14 2wvy n GLY 37 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wvy n THR 38 N -2.41 0.00 -4.33 2.61 5.66 -0.72 -3.48 114.28 111.61 2wvy n THR 38 Ca 0.00 -0.07 -0.30 0.00 -3.05 0.00 0.00 64.05 60.63 2wvy n THR 38 Cb 0.00 1.02 -0.11 0.00 -1.55 0.00 0.00 70.33 69.69 2wvy n THR 38 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2wvy s GLU 39 N -2.85 2.00 0.00 1.09 2.12 -0.87 -1.68 118.70 118.51 2wvy s GLU 39 Ca 0.11 -1.07 0.00 0.00 0.36 0.00 0.00 54.97 54.38 2wvy s GLU 39 Cb 0.17 -2.22 0.00 0.00 0.26 0.00 0.00 34.13 32.34 2wvy s GLU 39 CO 0.77 0.51 0.00 0.43 -0.54 0.00 0.00 175.26 176.43 2wvy n SER 40 N 0.90 -1.94 -3.53 -1.70 7.64 -1.26 -4.55 113.62 109.18 2wvy n SER 40 Ca -0.15 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.61 2wvy n SER 40 Cb 0.52 -0.55 -0.05 0.00 -1.01 0.00 0.00 64.21 63.12 2wvy n SER 40 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2wvy s THR 41 N -2.97 0.00 0.00 0.44 -4.23 -1.26 -5.11 115.64 102.50 2wvy s THR 41 Ca 0.00 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 2wvy s THR 41 Cb 0.00 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.32 2wvy s THR 41 CO 0.00 0.00 0.00 -3.20 -0.54 0.00 0.00 174.62 170.88 2wvy n ASN 48 N -1.02 0.00 -4.11 3.99 4.05 -1.26 -5.04 115.26 111.87 2wvy n ASN 48 Ca 0.00 0.00 -0.17 0.00 0.45 0.00 0.00 54.58 54.86 2wvy n ASN 48 Cb 0.62 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 41.51 2wvy n ASN 48 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2wvy s THR 49 N -1.96 0.87 0.19 -0.44 2.01 -1.23 -4.61 115.64 110.47 2wvy s THR 49 Ca 0.00 -1.04 0.08 0.00 0.31 0.00 0.00 61.69 61.05 2wvy s THR 49 Cb 0.00 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 2wvy s THR 49 CO 0.00 -0.17 -0.17 -0.72 -0.69 0.00 0.00 174.62 172.88 2wvy s TYR 50 N -1.06 1.78 -1.24 4.92 -0.85 -1.26 -4.65 117.35 115.00 2wvy s TYR 50 Ca -0.03 -0.51 -0.17 0.00 -0.52 0.00 0.00 57.07 55.85 2wvy s TYR 50 Cb -0.09 -0.86 0.11 0.00 0.38 0.00 0.00 41.96 41.51 2wvy s TYR 50 CO 0.01 0.36 1.59 -1.25 -1.52 0.00 0.00 175.55 174.74 2wvy s PRO 51 N -3.18 3.99 0.04 -3.49 0.04 -1.25 -4.91 135.00 126.23 2wvy s PRO 51 Ca 0.19 -2.15 -0.30 0.00 0.04 0.00 0.00 61.00 58.77 2wvy s PRO 51 Cb -0.04 -5.33 -0.08 0.00 0.04 0.00 0.00 34.50 29.09 2wvy s PRO 51 CO 0.07 -2.06 1.66 0.00 0.04 0.00 0.00 177.00 176.71 2wvy s ALA 52 N 3.25 3.66 -0.18 8.56 0.00 -1.26 -4.73 121.76 131.06 2wvy s ALA 52 Ca 0.49 1.14 -0.18 0.00 0.00 0.00 0.00 51.96 53.41 2wvy s ALA 52 Cb 0.01 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 2wvy s ALA 52 CO 0.03 -1.19 0.49 0.08 0.00 0.00 0.00 175.76 175.17 2wvy s VAL 53 N 3.05 5.14 0.14 0.00 1.01 0.68 -4.56 120.40 125.86 2wvy s VAL 53 Ca 0.74 0.91 -0.24 0.00 0.00 0.00 0.00 61.98 63.39 2wvy s VAL 53 Cb -0.38 -3.82 0.08 0.00 0.00 0.00 0.00 36.38 32.26 2wvy s VAL 53 CO 0.32 0.23 1.07 0.00 0.00 0.00 0.00 175.10 176.72 2wvy s ALA 54 N 1.32 -1.75 0.32 5.51 0.00 -0.73 -1.21 121.76 125.23 2wvy s ALA 54 Ca 0.24 -0.11 0.09 0.00 0.00 0.00 0.00 51.96 52.18 2wvy s ALA 54 Cb -0.15 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.63 2wvy s ALA 54 CO 0.09 -1.07 0.07 0.14 0.00 0.00 0.00 175.76 175.00 2wvy s VAL 55 N -2.41 3.00 0.23 0.00 -7.23 -1.26 -4.57 120.40 108.16 2wvy s VAL 55 Ca 0.20 -1.82 -0.31 0.00 -1.81 0.00 0.00 61.98 58.23 2wvy s VAL 55 Cb -0.01 -2.90 -0.14 0.00 0.56 0.00 0.00 36.38 33.89 2wvy s VAL 55 CO 0.03 -0.23 1.35 -2.65 -0.31 0.00 0.00 175.10 173.30 2wvy n PRO 56 N -1.04 1.88 -1.53 4.82 -0.02 -1.26 -1.38 135.00 136.47 2wvy n PRO 56 Ca -0.04 0.67 -0.14 0.00 -2.02 0.00 0.00 63.50 61.97 2wvy n PRO 56 Cb 0.61 -2.29 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 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 1.72 -0.45 -1.75 6.00 8.01 0.01 -4.91 117.44 126.07 2wvy n TRP 57 Ca 0.12 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.91 2wvy n TRP 57 Cb 0.31 -2.72 0.02 0.00 -2.01 0.00 0.00 31.31 26.90 2wvy n TRP 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wvy n GLY 58 N -0.33 0.94 0.37 6.99 0.00 -0.48 -0.42 105.19 112.26 2wvy n GLY 58 Ca -0.14 0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 2wvy n GLY 58 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2wvy h MET 59 N 2.20 1.19 -5.15 1.61 4.05 -1.44 -3.40 114.93 113.99 2wvy h MET 59 Ca -0.50 -0.08 -0.64 0.00 -0.28 0.00 0.00 59.70 58.19 2wvy h MET 59 Cb 1.27 -0.26 -0.33 0.00 -0.80 0.00 0.00 31.60 31.48 2wvy h MET 59 CO 0.61 0.80 -0.86 -0.80 0.23 0.00 0.00 176.91 176.88 2wvy s ASN 60 N -6.23 2.80 0.22 1.39 0.02 -0.33 -4.93 114.94 107.89 2wvy s ASN 60 Ca -0.12 -0.50 0.04 0.00 -1.02 0.00 0.00 52.86 51.26 2wvy s ASN 60 Cb 0.18 -1.28 -0.03 0.00 0.02 0.00 0.00 41.25 40.13 2wvy s ASN 60 CO 0.81 0.13 0.35 -0.36 0.02 0.00 0.00 177.10 178.04 2wvy s PHE 61 N 0.45 3.46 0.06 2.20 0.08 -0.90 -4.67 117.98 118.67 2wvy s PHE 61 Ca -0.17 0.03 0.07 0.00 0.12 0.00 0.00 56.93 56.98 2wvy s PHE 61 Cb -0.17 -1.61 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 2wvy s PHE 61 CO 0.07 0.44 -0.20 -1.58 -0.10 0.00 0.00 175.22 173.85 2wvy s TRP 62 N -1.94 1.75 -0.13 0.36 0.52 -0.35 0.01 118.94 119.17 2wvy s TRP 62 Ca 0.34 -0.39 -0.24 0.00 0.02 0.00 0.00 56.10 55.84 2wvy s TRP 62 Cb -0.09 -1.02 0.06 0.00 -1.15 0.00 0.00 33.47 31.27 2wvy s TRP 62 CO 0.29 0.13 0.59 0.45 0.02 0.00 0.00 176.95 178.43 2wvy s SER 63 N -1.43 -0.58 0.65 2.95 0.15 -0.53 -0.23 113.70 114.68 2wvy s SER 63 Ca 0.07 0.86 -0.18 0.00 0.70 0.00 0.00 55.95 57.40 2wvy s SER 63 Cb -0.09 0.84 -0.01 0.00 -1.71 0.00 0.00 66.02 65.04 2wvy s SER 63 CO 0.03 -0.40 1.28 -2.16 1.20 0.00 0.00 173.24 173.19 2wvy s PRO 64 N -0.51 2.56 -0.14 5.44 0.04 -1.26 -0.30 135.00 140.83 2wvy s PRO 64 Ca -0.06 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.01 2wvy s PRO 64 Cb -0.03 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.68 2wvy s PRO 64 CO 0.05 -1.58 -0.14 -1.14 0.04 0.00 0.00 177.00 174.23 2wvy s GLN 65 N -3.40 2.27 -0.12 4.56 0.74 0.64 -4.57 119.66 119.78 2wvy s GLN 65 Ca 0.82 -0.55 0.15 0.00 0.05 0.00 0.00 55.36 55.83 2wvy s GLN 65 Cb -0.36 -2.06 -0.22 0.00 1.10 0.00 0.00 33.01 31.47 2wvy s GLN 65 CO 0.39 -0.21 0.15 0.25 -0.55 0.00 0.00 175.29 175.32 2wvy n THR 66 N 4.69 0.76 -1.83 -0.34 -2.24 0.61 -0.24 114.28 115.69 2wvy n THR 66 Ca -0.17 -0.59 -0.30 0.00 -2.27 0.00 0.00 64.05 60.72 2wvy n THR 66 Cb 0.50 -0.38 0.06 0.00 -2.10 0.00 0.00 70.33 68.42 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 -4.65 1.62 0.73 3.38 0.00 -0.30 -4.71 107.32 103.39 2wvy s GLY 67 Ca -0.07 -0.38 -0.15 0.00 0.00 0.00 0.00 44.72 44.12 2wvy s GLY 67 CO 0.66 0.03 1.21 -0.54 0.00 0.00 0.00 173.10 174.46 2wvy s GLU 68 N -5.36 2.12 0.24 2.90 2.02 -1.26 -4.89 118.70 114.46 2wvy s GLU 68 Ca 0.59 1.77 -0.31 0.00 0.02 0.00 0.00 54.97 57.05 2wvy s GLU 68 Cb -0.12 -1.83 -0.14 0.00 0.10 0.00 0.00 34.13 32.14 2wvy s GLU 68 CO 0.52 -1.85 1.23 0.09 0.02 0.00 0.00 175.26 175.27 2wvy n ASN 69 N -2.72 2.01 0.00 -0.19 4.13 -1.26 -1.60 115.26 115.63 2wvy n ASN 69 Ca 0.14 1.16 0.00 0.00 1.68 0.00 0.00 54.58 57.55 2wvy n ASN 69 Cb 0.50 -1.34 0.00 0.00 -1.54 0.00 0.00 39.78 37.40 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 1.76 3.35 3.73 7.41 0.00 -1.26 -5.04 105.19 115.14 2wvy n GLY 70 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.88 7.10 0.57 1.61 0.15 -0.63 -4.93 113.70 116.70 2wvy s SER 71 Ca 0.00 1.32 0.37 0.00 0.70 0.00 0.00 55.95 58.34 2wvy s SER 71 Cb 0.00 -2.44 1.75 0.00 -1.71 0.00 0.00 66.02 63.62 2wvy s SER 71 CO 0.00 -0.05 2.11 1.23 1.20 0.00 0.00 173.24 177.73 2wvy h GLY 72 N 6.21 0.00 -6.54 9.45 0.00 -1.89 -3.31 103.07 106.99 2wvy h GLY 72 Ca -0.43 0.00 -0.75 0.00 0.00 0.00 0.00 47.33 46.16 2wvy h GLY 72 CO 0.73 0.00 2.12 0.79 0.00 0.00 0.00 176.54 180.18 2wvy n TRP 73 N -3.01 3.26 -0.18 5.60 8.01 -1.26 -4.32 117.44 125.54 2wvy n TRP 73 Ca -0.01 -2.87 -0.09 0.00 -1.31 0.00 0.00 57.50 53.22 2wvy n TRP 73 Cb 0.20 -2.07 0.01 0.00 -2.01 0.00 0.00 31.31 27.44 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 5.96 0.79 -3.97 -0.99 1.85 -1.92 -3.31 114.93 113.33 2wvy h MET 74 Ca 0.41 -0.17 -0.38 0.00 -0.61 0.00 0.00 59.70 58.95 2wvy h MET 74 Cb 0.66 -0.11 -0.33 0.00 0.43 0.00 0.00 31.60 32.24 2wvy h MET 74 CO 1.62 0.74 -0.76 -0.47 -0.40 0.00 0.00 176.91 177.63 2wvy s TYR 75 N -5.40 0.59 -0.06 1.39 5.04 -1.26 -0.29 117.35 117.36 2wvy s TYR 75 Ca -0.13 -0.13 0.01 0.00 -2.44 0.00 0.00 57.07 54.38 2wvy s TYR 75 Cb 0.12 -0.55 0.02 0.00 0.35 0.00 0.00 41.96 41.90 2wvy s TYR 75 CO 0.79 -0.15 -0.08 0.99 -1.34 0.00 0.00 175.55 175.76 2wvy s THR 76 N 0.80 0.82 0.33 4.34 2.01 -1.26 -4.74 115.64 117.95 2wvy s THR 76 Ca -0.10 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 61.67 2wvy s THR 76 Cb -0.13 -0.80 0.29 0.00 0.01 0.00 0.00 72.50 71.88 2wvy s THR 76 CO -0.00 0.29 1.92 0.22 -0.69 0.00 0.00 174.62 176.36 2wvy h TYR 77 N 7.20 0.90 0.00 4.92 3.20 -1.71 -1.50 116.97 129.98 2wvy h TYR 77 Ca -0.34 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.56 2wvy h TYR 77 Cb 1.17 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.14 2wvy h TYR 77 CO 0.49 0.44 0.00 0.25 -1.64 0.00 0.00 178.16 177.70 2wvy n THR 78 N -4.50 0.11 -2.56 1.81 -2.24 -1.26 -4.81 114.28 100.83 2wvy n THR 78 Ca 0.13 0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.57 2wvy n THR 78 Cb 0.27 -0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 67.89 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 -2.71 6.93 0.00 3.42 1.01 -0.57 -4.97 116.67 119.78 2wvy s ASP 79 Ca 0.22 2.06 0.03 0.00 0.71 0.00 0.00 52.55 55.56 2wvy s ASP 79 Cb 0.18 -2.59 0.07 0.00 1.01 0.00 0.00 42.92 41.60 2wvy s ASP 79 CO 0.45 -0.37 1.02 -1.54 0.21 0.00 0.00 175.17 174.93 2wvy n SER 80 N 0.25 2.14 -4.02 0.27 3.41 -1.26 -4.96 113.62 109.45 2wvy n SER 80 Ca 0.03 -1.91 -0.24 0.00 -0.26 0.00 0.00 58.87 56.50 2wvy n SER 80 Cb 0.49 -0.05 -0.16 0.00 -0.26 0.00 0.00 64.21 64.22 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 -0.92 1.66 -0.03 1.04 1.43 -1.26 -2.13 118.68 118.47 2wvy s LEU 81 Ca 0.06 -0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2wvy s LEU 81 Cb 0.03 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 2wvy s LEU 81 CO 0.04 0.04 0.03 -0.32 0.23 0.00 0.00 176.35 176.38 2wvy s MET 82 N 0.55 2.96 -0.03 1.70 -2.45 -0.05 -4.49 119.30 117.49 2wvy s MET 82 Ca -0.12 -0.49 0.07 0.00 -1.25 0.00 0.00 55.69 53.90 2wvy s MET 82 Cb -0.14 -2.79 -0.11 0.00 1.25 0.00 0.00 34.83 33.05 2wvy s MET 82 CO 0.03 0.66 0.12 0.54 1.05 0.00 0.00 175.02 177.42 2wvy n ARG 83 N 1.58 0.95 0.00 4.11 1.74 0.67 -0.88 116.66 124.84 2wvy n ARG 83 Ca -0.16 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 2wvy n ARG 83 Cb 0.53 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 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 2.22 -0.54 3.18 -0.13 0.00 -1.20 -4.81 105.19 103.92 2wvy n GLY 84 Ca -0.04 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 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 3.02 -0.08 1.61 0.08 -0.09 -0.26 117.98 120.27 2wvy s PHE 85 Ca 0.00 -1.60 -0.12 0.00 0.12 0.00 0.00 56.93 55.33 2wvy s PHE 85 Cb 0.00 -2.02 -0.05 0.00 -0.57 0.00 0.00 43.02 40.38 2wvy s PHE 85 CO 0.00 -0.75 0.30 1.03 -0.10 0.00 0.00 175.22 175.70 2wvy s ARG 86 N 1.31 3.87 -0.20 0.44 1.81 0.59 -1.29 118.95 125.47 2wvy s ARG 86 Ca 0.01 0.17 -0.26 0.00 -1.72 0.00 0.00 55.73 53.92 2wvy s ARG 86 Cb -0.16 -3.27 -0.01 0.00 -0.45 0.00 0.00 34.95 31.06 2wvy s ARG 86 CO -0.06 0.59 0.88 -1.14 -0.68 0.00 0.00 175.30 174.89 2wvy s GLN 87 N -0.64 4.26 0.10 3.54 0.74 -0.21 -1.46 119.66 125.99 2wvy s GLN 87 Ca 0.19 1.07 0.04 0.00 0.05 0.00 0.00 55.36 56.71 2wvy s GLN 87 Cb -0.14 -3.61 -0.04 0.00 1.10 0.00 0.00 33.01 30.32 2wvy s GLN 87 CO 0.08 -0.45 -0.10 -0.08 -0.55 0.00 0.00 175.29 174.19 2wvy s THR 88 N 2.56 0.97 0.00 -0.34 -1.32 0.10 -3.37 115.64 114.25 2wvy s THR 88 Ca 0.39 -1.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.19 2wvy s THR 88 Cb -0.16 -1.41 0.00 0.00 -1.51 0.00 0.00 72.50 69.42 2wvy s THR 88 CO 0.10 -0.57 0.70 1.41 -2.21 0.00 0.00 174.62 174.05 2wvy n HIS 89 N 0.49 0.00 -1.87 9.09 8.25 -1.26 -2.11 115.22 127.81 2wvy n HIS 89 Ca -0.15 -0.25 -0.42 0.00 -0.26 0.00 0.00 57.72 56.64 2wvy n HIS 89 Cb 0.58 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 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 -0.49 4.17 0.20 -0.41 0.74 -1.26 -4.91 119.66 117.70 2wvy s GLN 90 Ca 0.00 2.36 0.17 0.00 0.05 0.00 0.00 55.36 57.94 2wvy s GLN 90 Cb 0.00 -4.05 0.00 0.00 1.10 0.00 0.00 33.01 30.07 2wvy s GLN 90 CO 0.00 -0.89 1.16 -1.00 -0.55 0.00 0.00 175.29 174.02 2wvy h PRO 91 N 9.92 0.00 -2.93 1.67 0.13 -1.90 -3.48 132.00 135.41 2wvy h PRO 91 Ca -0.43 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 2wvy h PRO 91 Cb 1.20 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 2wvy h PRO 91 CO 0.95 0.30 0.24 -1.54 -0.23 0.00 0.00 178.00 177.72 2wvy s SER 92 N -6.01 -0.45 0.29 1.44 1.04 -1.26 -5.03 113.70 103.71 2wvy s SER 92 Ca 0.01 -0.19 -0.02 0.00 0.48 0.00 0.00 55.95 56.24 2wvy s SER 92 Cb 0.08 0.62 0.41 0.00 0.10 0.00 0.00 66.02 67.23 2wvy s SER 92 CO 0.77 -1.05 1.88 -0.65 0.98 0.00 0.00 173.24 175.17 2wvy h PRO 93 N 2.00 0.94 -0.20 4.02 0.11 -1.82 0.10 132.00 137.15 2wvy h PRO 93 Ca -0.29 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 2wvy h PRO 93 Cb 1.29 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2wvy h PRO 93 CO 0.33 0.74 0.05 2.35 -0.21 0.00 0.00 178.00 181.26 2wvy h TRP 94 N 0.93 0.33 -0.28 0.65 2.91 -1.96 -3.14 115.95 115.39 2wvy h TRP 94 Ca 0.23 -0.04 -0.15 0.00 1.13 0.00 0.00 58.89 60.05 2wvy h TRP 94 Cb 0.13 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.68 2wvy h TRP 94 CO 0.01 0.43 -0.45 0.82 -1.03 0.00 0.00 178.44 178.22 2wvy h ILE 95 N 0.14 1.29 -0.65 2.65 1.08 -1.91 -3.49 117.51 116.62 2wvy h ILE 95 Ca 0.06 -1.64 0.00 0.00 -0.39 0.00 0.00 64.86 62.90 2wvy h ILE 95 Cb 0.26 1.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.56 2wvy h ILE 95 CO 0.00 0.53 0.00 -3.20 -0.69 0.00 0.00 178.15 174.79 2wvy n ASN 96 N -4.02 -1.96 -4.75 1.72 2.85 0.34 -4.83 115.26 104.60 2wvy n ASN 96 Ca -0.02 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.19 2wvy n ASN 96 Cb 0.56 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.51 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 4.41 0.19 1.20 -1.08 -1.26 -4.35 116.67 111.78 2wvy s ASP 97 Ca 0.00 -1.14 -0.18 0.00 -0.52 0.00 0.00 52.55 50.71 2wvy s ASP 97 Cb 0.00 -0.32 0.03 0.00 -1.46 0.00 0.00 42.92 41.17 2wvy s ASP 97 CO 0.00 -0.62 0.53 -0.72 0.52 0.00 0.00 175.17 174.89 2wvy s TYR 98 N -2.64 -0.20 -1.40 -5.34 -0.85 -1.26 -3.22 117.35 102.44 2wvy s TYR 98 Ca 0.38 -0.13 -0.07 0.00 -0.52 0.00 0.00 57.07 56.72 2wvy s TYR 98 Cb 0.03 0.42 0.04 0.00 0.38 0.00 0.00 41.96 42.83 2wvy s TYR 98 CO 0.21 -0.90 0.93 0.41 -1.52 0.00 0.00 175.55 174.68 2wvy n GLY 99 N -0.34 -0.43 3.30 5.49 0.00 -0.80 -4.27 105.19 108.14 2wvy n GLY 99 Ca -0.11 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.43 2.01 0.21 2.61 -1.32 -1.26 -4.79 115.64 109.67 2wvy s THR 100 Ca 0.38 -1.11 -0.07 0.00 -1.21 0.00 0.00 61.69 59.69 2wvy s THR 100 Cb -0.19 -1.67 -0.02 0.00 -1.51 0.00 0.00 72.50 69.11 2wvy s THR 100 CO 0.80 0.55 0.28 0.72 -2.21 0.00 0.00 174.62 174.76 2wvy s PHE 101 N -0.61 0.75 0.05 9.09 -0.12 -1.22 -4.49 117.98 121.43 2wvy s PHE 101 Ca 0.10 -1.05 -0.01 0.00 -0.05 0.00 0.00 56.93 55.92 2wvy s PHE 101 Cb -0.10 -0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.05 2wvy s PHE 101 CO -0.01 -0.79 -0.03 -1.54 -0.05 0.00 0.00 175.22 172.80 2wvy s SER 102 N -3.08 0.50 -0.08 1.98 1.04 0.54 -1.05 113.70 113.56 2wvy s SER 102 Ca 0.30 -0.98 0.03 0.00 0.48 0.00 0.00 55.95 55.79 2wvy s SER 102 Cb 0.04 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2wvy s SER 102 CO 0.09 -0.58 -0.19 -0.63 0.98 0.00 0.00 173.24 172.92 2wvy s ILE 103 N -3.79 1.62 -0.17 -1.02 1.01 -0.41 -0.57 121.20 117.87 2wvy s ILE 103 Ca 0.06 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 2wvy s ILE 103 Cb 0.07 -1.42 0.06 0.00 0.01 0.00 0.00 42.46 41.18 2wvy s ILE 103 CO -0.09 0.46 0.07 -0.32 0.00 0.00 0.00 174.94 175.06 2wvy s MET 104 N 0.40 0.25 0.36 2.79 1.75 0.29 -0.91 119.30 124.22 2wvy s MET 104 Ca -0.14 -0.17 -0.26 0.00 -1.25 0.00 0.00 55.69 53.87 2wvy s MET 104 Cb -0.16 -1.86 -0.09 0.00 2.84 0.00 0.00 34.83 35.56 2wvy s MET 104 CO 0.06 -0.64 1.09 -2.14 -0.65 0.00 0.00 175.02 172.73 2wvy s PRO 105 N 2.05 4.32 0.04 4.11 0.02 -1.26 -0.44 135.00 143.84 2wvy s PRO 105 Ca 0.01 1.67 0.02 0.00 0.02 0.00 0.00 61.00 62.73 2wvy s PRO 105 Cb -0.16 -2.80 -0.02 0.00 0.02 0.00 0.00 34.50 31.54 2wvy s PRO 105 CO -0.08 -0.04 -0.08 -0.51 -0.33 0.00 0.00 177.00 175.95 2wvy s LEU 106 N -2.18 2.24 -0.06 -5.54 1.43 0.19 -4.93 118.68 109.83 2wvy s LEU 106 Ca 0.53 -0.52 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 2wvy s LEU 106 Cb -0.27 -0.21 -0.01 0.00 0.03 0.00 0.00 46.19 45.73 2wvy s LEU 106 CO 0.34 -0.17 -0.24 0.00 0.23 0.00 0.00 176.35 176.51 2wvy s ALA 107 N -1.27 2.11 0.00 4.21 0.00 -1.26 -1.32 121.76 124.23 2wvy s ALA 107 Ca -0.08 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2wvy s ALA 107 Cb -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.36 2wvy s ALA 107 CO 0.01 0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.57 2wvy n GLY 108 N 3.00 1.54 3.72 0.00 0.00 -0.43 -4.92 105.19 108.10 2wvy n GLY 108 Ca -0.18 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 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 4.50 -0.02 1.61 -6.30 -1.26 -4.48 118.70 112.75 2wvy s GLU 109 Ca 0.00 1.72 -0.30 0.00 -2.50 0.00 0.00 54.97 53.89 2wvy s GLU 109 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 34.13 30.77 2wvy s GLU 109 CO 0.00 -0.12 1.01 -1.17 0.02 0.00 0.00 175.26 174.99 2wvy s LEU 110 N 0.54 4.34 -0.05 2.70 2.96 -1.26 -5.02 118.68 122.90 2wvy s LEU 110 Ca 0.55 1.67 0.02 0.00 -0.22 0.00 0.00 54.13 56.14 2wvy s LEU 110 Cb -0.29 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 42.85 2wvy s LEU 110 CO 0.31 -0.32 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.38 2wvy s LYS 111 N 1.23 1.37 -0.22 1.98 -0.14 -1.26 -5.08 119.74 117.62 2wvy s LYS 111 Ca 0.52 -0.33 -0.16 0.00 -1.36 0.00 0.00 55.97 54.64 2wvy s LYS 111 Cb -0.21 -1.19 -0.10 0.00 -1.68 0.00 0.00 37.83 34.65 2wvy s LYS 111 CO 0.26 0.03 -0.23 -1.33 -0.76 0.00 0.00 175.35 173.31 2wvy n MET 112 N 3.75 0.55 -2.25 1.68 2.81 -1.26 -4.72 117.12 117.68 2wvy n MET 112 Ca -0.23 0.34 -0.38 0.00 -1.81 0.00 0.00 57.70 55.62 2wvy n MET 112 Cb 0.52 -1.55 -0.02 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 -6.63 6.48 0.57 7.83 0.15 -1.26 -4.83 113.70 116.01 2wvy s SER 113 Ca -0.31 2.40 0.27 0.00 0.70 0.00 0.00 55.95 59.01 2wvy s SER 113 Cb 0.08 -2.62 1.54 0.00 -1.71 0.00 0.00 66.02 63.31 2wvy s SER 113 CO 0.45 -0.71 2.06 1.12 1.20 0.00 0.00 173.24 177.36 2wvy h HIS 114 N 2.64 0.00 0.00 3.44 -0.00 -1.93 0.15 115.15 119.45 2wvy h HIS 114 Ca -0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 59.87 2wvy h HIS 114 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.64 2wvy h HIS 114 CO 0.55 0.00 -0.06 0.87 -0.00 0.00 0.00 177.93 179.28 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 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2wvy h LYS 115 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2wvy h LYS 115 CO -0.00 0.06 -0.84 0.39 -1.08 0.00 0.00 179.45 177.98 2wvy n GLU 116 N -3.43 1.81 -2.40 3.15 1.02 0.38 -4.86 120.64 116.32 2wvy n GLU 116 Ca -0.02 -0.02 -0.37 0.00 -0.02 0.00 0.00 57.16 56.74 2wvy n GLU 116 Cb 0.20 -0.94 -0.04 0.00 -0.02 0.00 0.00 31.44 30.64 2wvy n GLU 116 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wvy s ARG 117 N -1.92 3.23 -0.25 3.49 0.52 -0.28 -4.91 118.95 118.83 2wvy s ARG 117 Ca -0.00 -0.76 -0.01 0.00 -0.52 0.00 0.00 55.73 54.43 2wvy s ARG 117 Cb 0.02 -5.15 0.07 0.00 0.52 0.00 0.00 34.95 30.41 2wvy s ARG 117 CO 0.11 -2.55 0.03 -0.51 0.02 0.00 0.00 175.30 172.40 2wvy s LEU 118 N 6.62 1.96 -0.19 2.53 2.01 -1.25 -3.94 118.68 126.41 2wvy s LEU 118 Ca 0.53 -1.21 -0.01 0.00 0.01 0.00 0.00 54.13 53.44 2wvy s LEU 118 Cb -0.03 -0.85 0.01 0.00 0.01 0.00 0.00 46.19 45.33 2wvy s LEU 118 CO -0.04 -0.33 -0.14 -0.69 1.01 0.00 0.00 176.35 176.16 2wvy s VAL 119 N 1.64 2.63 0.34 -1.59 1.01 -0.06 -4.82 120.40 119.55 2wvy s VAL 119 Ca 0.02 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 60.96 2wvy s VAL 119 Cb -0.18 -2.15 -0.10 0.00 0.00 0.00 0.00 36.38 33.96 2wvy s VAL 119 CO -0.13 0.49 1.30 -2.16 0.00 0.00 0.00 175.10 174.60 2wvy s PRO 120 N 1.30 4.31 0.15 2.72 0.04 -1.26 -0.88 135.00 141.38 2wvy s PRO 120 Ca 0.04 2.20 -0.11 0.00 0.04 0.00 0.00 61.00 63.17 2wvy s PRO 120 Cb -0.14 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2wvy s PRO 120 CO -0.08 -0.22 0.32 -0.59 0.04 0.00 0.00 177.00 176.47 2wvy s PHE 121 N -1.16 0.20 -0.03 0.56 -0.12 -0.91 -1.39 117.98 115.13 2wvy s PHE 121 Ca 0.50 -0.57 0.05 0.00 -0.05 0.00 0.00 56.93 56.86 2wvy s PHE 121 Cb -0.39 0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.02 2wvy s PHE 121 CO 0.52 -0.71 -0.16 0.45 -0.05 0.00 0.00 175.22 175.27 2wvy s SER 122 N -2.91 3.91 0.65 1.98 0.15 -1.26 -4.78 113.70 111.44 2wvy s SER 122 Ca 0.12 -0.26 0.35 0.00 0.70 0.00 0.00 55.95 56.86 2wvy s SER 122 Cb 0.03 -0.76 1.92 0.00 -1.71 0.00 0.00 66.02 65.50 2wvy s SER 122 CO -0.04 0.32 2.08 0.45 1.20 0.00 0.00 173.24 177.25 2wvy h HIS 123 N 5.18 0.00 0.00 3.44 3.86 -1.95 -0.73 115.15 124.94 2wvy h HIS 123 Ca -0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 2wvy h HIS 123 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 2wvy h HIS 123 CO 0.50 0.00 0.00 1.96 0.86 0.00 0.00 177.93 181.25 2wvy h GLN 124 N 0.00 0.00 -0.75 2.45 4.20 -1.98 -2.90 115.11 116.14 2wvy h GLN 124 Ca 0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 2wvy h GLN 124 Cb 0.37 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.74 2wvy h GLN 124 CO 0.00 0.00 -0.71 1.04 -0.67 0.00 0.00 178.83 178.49 2wvy n GLN 125 N -2.50 3.51 -4.25 1.46 1.13 -0.28 -4.99 117.38 111.47 2wvy n GLN 125 Ca 0.02 -4.09 -0.23 0.00 -1.94 0.00 0.00 57.00 50.76 2wvy n GLN 125 Cb 0.27 -2.26 -0.17 0.00 0.11 0.00 0.00 30.24 28.19 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 -3.60 1.22 -0.23 -1.09 2.12 -1.10 -1.28 118.70 114.74 2wvy s GLU 126 Ca 0.52 -0.22 -0.00 0.00 0.36 0.00 0.00 54.97 55.62 2wvy s GLU 126 Cb 0.42 -1.15 0.06 0.00 0.26 0.00 0.00 34.13 33.71 2wvy s GLU 126 CO 0.03 -0.09 -0.02 0.21 -0.54 0.00 0.00 175.26 174.86 2wvy s LYS 127 N 1.01 1.34 -0.25 4.30 2.47 0.49 -4.99 119.74 124.11 2wvy s LYS 127 Ca -0.09 -0.88 -0.07 0.00 -1.56 0.00 0.00 55.97 53.36 2wvy s LYS 127 Cb -0.14 -2.46 -0.03 0.00 -1.46 0.00 0.00 37.83 33.74 2wvy s LYS 127 CO -0.00 -0.64 0.07 0.00 0.16 0.00 0.00 175.35 174.94 2wvy s ALA 128 N 1.50 3.17 0.16 3.13 0.00 -1.26 -1.21 121.76 127.25 2wvy s ALA 128 Ca -0.03 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.82 2wvy s ALA 128 Cb -0.18 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 2wvy s ALA 128 CO -0.08 -0.47 0.02 0.95 0.00 0.00 0.00 175.76 176.19 2wvy s THR 129 N 1.58 0.49 0.35 0.00 -4.23 -0.26 -4.33 115.64 109.23 2wvy s THR 129 Ca 0.06 -1.96 0.20 0.00 -1.18 0.00 0.00 61.69 58.81 2wvy s THR 129 Cb -0.15 -2.10 0.19 0.00 1.34 0.00 0.00 72.50 71.77 2wvy s THR 129 CO 0.04 -0.47 1.91 -0.65 -0.54 0.00 0.00 174.62 174.91 2wvy h PRO 130 N 2.74 0.00 -0.01 3.99 0.11 -1.87 -3.04 132.00 133.93 2wvy h PRO 130 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2wvy h PRO 130 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wvy h PRO 130 CO 0.62 0.26 -0.72 2.48 -0.21 0.00 0.00 178.00 180.42 2wvy n TYR 131 N -3.82 0.00 -3.64 0.65 0.18 -1.26 -1.77 117.16 107.50 2wvy n TYR 131 Ca -0.02 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.73 2wvy n TYR 131 Cb 0.35 -0.02 -0.07 0.00 -0.38 0.00 0.00 39.34 39.22 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 -2.77 -0.49 -0.11 9.48 2.47 -1.15 -4.33 114.94 118.04 2wvy s ASN 132 Ca 0.13 0.81 0.02 0.00 0.42 0.00 0.00 52.86 54.24 2wvy s ASN 132 Cb 0.17 1.13 -0.01 0.00 -1.45 0.00 0.00 41.25 41.09 2wvy s ASN 132 CO 0.72 -0.13 -0.18 -0.47 -3.72 0.00 0.00 177.10 173.32 2wvy s TYR 133 N 1.12 2.70 0.00 0.43 5.04 -0.20 -1.11 117.35 125.33 2wvy s TYR 133 Ca -0.07 -0.80 0.02 0.00 -2.44 0.00 0.00 57.07 53.79 2wvy s TYR 133 Cb -0.04 -1.78 -0.01 0.00 0.35 0.00 0.00 41.96 40.48 2wvy s TYR 133 CO -0.13 -0.29 -0.08 0.45 -1.34 0.00 0.00 175.55 174.16 2wvy s SER 134 N 0.31 0.89 -0.13 4.32 0.15 -0.35 -0.84 113.70 118.05 2wvy s SER 134 Ca -0.14 -0.18 -0.15 0.00 0.70 0.00 0.00 55.95 56.18 2wvy s SER 134 Cb -0.17 -0.08 0.04 0.00 -1.71 0.00 0.00 66.02 64.10 2wvy s SER 134 CO 0.07 0.06 0.41 0.54 1.20 0.00 0.00 173.24 175.52 2wvy s VAL 135 N -0.30 0.01 -0.19 4.45 0.11 -0.19 -0.38 120.40 123.91 2wvy s VAL 135 Ca 0.02 -0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.00 2wvy s VAL 135 Cb -0.04 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 2wvy s VAL 135 CO -0.00 -0.03 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.71 2wvy s THR 136 N -0.02 2.71 0.81 5.04 2.01 -0.40 -1.24 115.64 124.55 2wvy s THR 136 Ca -0.02 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.13 2wvy s THR 136 Cb -0.03 -2.18 0.08 0.00 0.01 0.00 0.00 72.50 70.38 2wvy s THR 136 CO 0.01 0.49 1.10 -0.36 -0.69 0.00 0.00 174.62 175.18 2wvy s PHE 137 N 1.20 2.79 0.54 4.92 0.08 -0.12 -4.50 117.98 122.90 2wvy s PHE 137 Ca 0.02 1.09 0.21 0.00 0.12 0.00 0.00 56.93 58.37 2wvy s PHE 137 Cb -0.14 -3.17 1.44 0.00 -0.57 0.00 0.00 43.02 40.58 2wvy s PHE 137 CO -0.06 -1.85 2.16 -0.91 -0.10 0.00 0.00 175.22 174.46 2wvy h ASN 138 N -1.14 0.00 -0.02 1.36 2.35 -1.57 0.43 115.58 116.98 2wvy h ASN 138 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 2wvy h ASN 138 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 2wvy h ASN 138 CO 0.60 0.00 0.00 -0.46 -1.65 0.00 0.00 177.43 175.92 2wvy n ASN 139 N -4.31 0.23 0.00 5.81 0.23 -1.26 -4.88 115.26 111.07 2wvy n ASN 139 Ca -0.02 -1.46 0.00 0.00 -0.53 0.00 0.00 54.58 52.58 2wvy n ASN 139 Cb 0.15 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 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 0.84 1.22 3.72 4.83 0.00 0.14 -4.79 105.19 111.14 2wvy n GLY 140 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 4.38 -0.05 0.99 0.20 -1.26 -4.52 118.68 118.41 2wvy s LEU 141 Ca 0.00 2.46 0.05 0.00 0.69 0.00 0.00 54.13 57.33 2wvy s LEU 141 Cb 0.00 -3.60 -0.02 0.00 -0.43 0.00 0.00 46.19 42.14 2wvy s LEU 141 CO 0.00 -0.70 -0.20 -1.58 -0.29 0.00 0.00 176.35 173.58 2wvy s GLN 142 N 0.82 2.46 -0.05 1.98 -0.44 -0.15 -0.94 119.66 123.33 2wvy s GLN 142 Ca 0.65 -0.80 -0.05 0.00 -2.50 0.00 0.00 55.36 52.65 2wvy s GLN 142 Cb -0.40 -2.26 0.01 0.00 -1.64 0.00 0.00 33.01 28.73 2wvy s GLN 142 CO 0.33 0.53 0.15 -0.08 0.50 0.00 0.00 175.29 176.72 2wvy s THR 143 N -0.51 0.01 0.07 -0.34 -1.32 -0.37 -0.29 115.64 112.88 2wvy s THR 143 Ca 0.07 -0.06 0.02 0.00 -1.21 0.00 0.00 61.69 60.51 2wvy s THR 143 Cb -0.11 -0.24 -0.03 0.00 -1.51 0.00 0.00 72.50 70.61 2wvy s THR 143 CO 0.01 -0.03 -0.08 -0.94 -2.21 0.00 0.00 174.62 171.36 2wvy s SER 144 N -0.05 1.09 0.01 8.08 1.04 -0.76 -1.02 113.70 122.09 2wvy s SER 144 Ca -0.01 -0.74 -0.02 0.00 0.48 0.00 0.00 55.95 55.66 2wvy s SER 144 Cb -0.02 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 2wvy s SER 144 CO 0.00 -0.29 0.02 -1.48 0.98 0.00 0.00 173.24 172.48 2wvy s LEU 145 N -2.18 2.01 0.03 2.42 2.34 -0.02 -0.95 118.68 122.33 2wvy s LEU 145 Ca -0.00 -0.30 0.02 0.00 0.06 0.00 0.00 54.13 53.91 2wvy s LEU 145 Cb -0.04 0.22 -0.02 0.00 -0.56 0.00 0.00 46.19 45.79 2wvy s LEU 145 CO -0.01 -0.24 -0.07 -0.44 -1.06 0.00 0.00 176.35 174.53 2wvy s SER 146 N -1.07 0.80 0.15 1.48 0.01 -0.89 -1.03 113.70 113.15 2wvy s SER 146 Ca -0.12 -0.38 0.09 0.00 1.31 0.00 0.00 55.95 56.85 2wvy s SER 146 Cb -0.07 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 2wvy s SER 146 CO -0.00 -0.10 -0.12 0.00 0.41 0.00 0.00 173.24 173.44 2wvy s ALA 147 N -0.90 2.88 0.00 1.44 0.00 -1.26 -1.48 121.76 122.45 2wvy s ALA 147 Ca -0.05 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2wvy s ALA 147 Cb -0.07 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.31 2wvy s ALA 147 CO 0.00 0.52 0.00 0.25 0.00 0.00 0.00 175.76 176.53 2wvy n THR 148 N 0.31 0.00 -0.20 0.00 -2.24 0.16 -4.51 114.28 107.81 2wvy n THR 148 Ca -0.12 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.64 2wvy n THR 148 Cb 0.54 -0.84 0.09 0.00 -2.10 0.00 0.00 70.33 68.02 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 0.00 0.32 0.00 3.42 0.02 -1.92 -3.34 113.55 112.05 2wvy h SER 149 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2wvy h SER 149 Cb 0.00 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2wvy h SER 149 CO 0.00 0.20 0.00 0.54 -1.14 0.00 0.00 176.83 176.43 2wvy n ARG 150 N -4.93 -0.10 -3.20 3.45 1.74 -1.26 -1.19 116.66 111.18 2wvy n ARG 150 Ca 0.08 -0.53 -0.10 0.00 -0.77 0.00 0.00 57.85 56.53 2wvy n ARG 150 Cb 0.22 -0.85 -0.04 0.00 -1.02 0.00 0.00 32.46 30.78 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 -0.07 3.35 3.39 -0.13 0.00 -1.25 -2.60 105.19 107.87 2wvy n GLY 151 Ca 0.00 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.70 -1.28 -0.02 4.61 0.00 -0.20 -0.66 121.76 121.50 2wvy s ALA 152 Ca 0.21 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.41 2wvy s ALA 152 Cb 0.01 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.94 2wvy s ALA 152 CO 0.15 -0.73 -0.07 0.08 0.00 0.00 0.00 175.76 175.20 2wvy s VAL 153 N -3.78 0.63 0.13 0.00 1.01 -0.55 -0.94 120.40 116.89 2wvy s VAL 153 Ca 0.02 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.81 2wvy s VAL 153 Cb 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2wvy s VAL 153 CO -0.12 0.21 -0.07 -0.36 0.00 0.00 0.00 175.10 174.76 2wvy s PHE 154 N 0.27 2.76 -0.01 5.22 0.08 0.11 -2.09 117.98 124.31 2wvy s PHE 154 Ca -0.04 -0.15 0.08 0.00 0.12 0.00 0.00 56.93 56.94 2wvy s PHE 154 Cb -0.08 -1.41 -0.02 0.00 -0.57 0.00 0.00 43.02 40.93 2wvy s PHE 154 CO 0.00 0.46 -0.25 -1.83 -0.10 0.00 0.00 175.22 173.50 2wvy s GLU 155 N -2.43 2.09 -0.07 0.44 -1.05 -0.12 -1.51 118.70 116.05 2wvy s GLU 155 Ca 0.23 -0.94 0.02 0.00 -0.15 0.00 0.00 54.97 54.13 2wvy s GLU 155 Cb -0.11 -2.06 0.02 0.00 -0.44 0.00 0.00 34.13 31.54 2wvy s GLU 155 CO 0.15 0.56 -0.11 0.08 0.95 0.00 0.00 175.26 176.89 2wvy s VAL 156 N -0.65 1.11 -0.32 1.83 1.01 0.68 -1.83 120.40 122.24 2wvy s VAL 156 Ca 0.10 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 2wvy s VAL 156 Cb -0.10 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.27 2wvy s VAL 156 CO -0.00 0.36 0.09 -0.44 0.00 0.00 0.00 175.10 175.10 2wvy s SER 157 N 0.85 5.22 0.19 3.32 0.01 0.60 -0.72 113.70 123.17 2wvy s SER 157 Ca -0.11 -0.99 -0.22 0.00 1.31 0.00 0.00 55.95 55.93 2wvy s SER 157 Cb -0.15 -1.87 -0.08 0.00 0.21 0.00 0.00 66.02 64.13 2wvy s SER 157 CO 0.01 -0.28 0.74 -0.36 0.41 0.00 0.00 173.24 173.77 2wvy s PHE 158 N 1.43 3.79 0.42 2.43 0.08 -1.26 -0.98 117.98 123.88 2wvy s PHE 158 Ca -0.00 1.51 -0.26 0.00 0.12 0.00 0.00 56.93 58.29 2wvy s PHE 158 Cb -0.19 -2.69 -0.09 0.00 -0.57 0.00 0.00 43.02 39.49 2wvy s PHE 158 CO 0.02 0.44 1.35 -2.14 -0.10 0.00 0.00 175.22 174.80 2wvy s PRO 159 N -1.51 3.90 0.57 0.24 0.02 -1.26 -4.96 135.00 131.99 2wvy s PRO 159 Ca 0.38 2.26 -0.18 0.00 0.02 0.00 0.00 61.00 63.49 2wvy s PRO 159 Cb -0.20 -2.74 -0.05 0.00 0.02 0.00 0.00 34.50 31.53 2wvy s PRO 159 CO 0.23 -0.59 1.09 -1.83 -0.33 0.00 0.00 177.00 175.57 2wvy s GLU 160 N -2.29 3.31 -0.82 5.54 1.03 -1.26 -3.50 118.70 120.72 2wvy s GLU 160 Ca 0.58 1.42 0.00 0.00 0.03 0.00 0.00 54.97 56.99 2wvy s GLU 160 Cb -0.40 -2.02 0.00 0.00 -0.80 0.00 0.00 34.13 30.91 2wvy s GLU 160 CO 0.52 -0.84 0.00 0.36 -1.33 0.00 0.00 175.26 173.97 2wvy n LYS 161 N -1.65 -1.05 -4.41 -4.83 0.00 -1.26 -4.99 118.16 99.97 2wvy n LYS 161 Ca 0.10 0.69 -0.27 0.00 -0.00 0.00 0.00 58.31 58.83 2wvy n LYS 161 Cb 0.52 -4.70 -0.13 0.00 -0.00 0.00 0.00 35.03 30.72 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 -2.34 1.34 0.36 -1.58 0.41 -1.23 -5.06 118.70 110.60 2wvy s GLU 162 Ca 0.00 -1.25 -0.27 0.00 -0.41 0.00 0.00 54.97 53.04 2wvy s GLU 162 Cb 0.00 -1.72 -0.12 0.00 -1.78 0.00 0.00 34.13 30.51 2wvy s GLU 162 CO 0.00 0.41 1.19 -0.25 -0.49 0.00 0.00 175.26 176.12 2wvy n ASP 163 N 1.09 2.19 -4.19 -0.19 8.00 -1.26 -4.71 116.55 117.48 2wvy n ASP 163 Ca -0.18 1.16 -0.34 0.00 0.71 0.00 0.00 54.79 56.14 2wvy n ASP 163 Cb 0.53 -1.43 -0.15 0.00 -0.02 0.00 0.00 41.12 40.05 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 -1.89 3.01 0.16 -1.24 -0.21 -1.26 -1.31 119.66 116.91 2wvy s GLN 164 Ca 0.58 -0.85 0.07 0.00 0.02 0.00 0.00 55.36 55.18 2wvy s GLN 164 Cb -0.58 -2.81 -0.04 0.00 1.00 0.00 0.00 33.01 30.57 2wvy s GLN 164 CO 0.60 -0.28 -0.14 0.71 -2.12 0.00 0.00 175.29 174.06 2wvy s TYR 165 N 1.34 1.55 -0.07 0.91 2.02 -0.43 -0.61 117.35 122.06 2wvy s TYR 165 Ca 0.03 -0.58 0.02 0.00 -0.37 0.00 0.00 57.07 56.17 2wvy s TYR 165 Cb -0.15 -0.77 0.01 0.00 -0.40 0.00 0.00 41.96 40.66 2wvy s TYR 165 CO -0.08 0.24 -0.13 0.08 -1.57 0.00 0.00 175.55 174.09 2wvy s VAL 166 N -2.63 1.20 -0.13 0.71 1.01 -0.25 -0.64 120.40 119.67 2wvy s VAL 166 Ca 0.16 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 2wvy s VAL 166 Cb -0.02 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 2wvy s VAL 166 CO 0.04 0.37 0.02 -0.69 0.00 0.00 0.00 175.10 174.84 2wvy s VAL 167 N 0.67 4.43 -0.20 2.92 1.01 0.42 -1.12 120.40 128.53 2wvy s VAL 167 Ca -0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 2wvy s VAL 167 Cb -0.16 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 2wvy s VAL 167 CO 0.04 0.54 -0.02 -0.69 0.00 0.00 0.00 175.10 174.96 2wvy s VAL 168 N -0.24 3.73 -0.28 2.92 1.01 0.60 -0.55 120.40 127.59 2wvy s VAL 168 Ca 0.06 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 2wvy s VAL 168 Cb -0.12 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.60 2wvy s VAL 168 CO 0.02 0.44 0.01 -0.62 0.00 0.00 0.00 175.10 174.95 2wvy s ASP 169 N 1.06 4.77 -0.07 3.32 -1.08 0.26 -0.29 116.67 124.65 2wvy s ASP 169 Ca 0.02 -0.87 0.18 0.00 -0.52 0.00 0.00 52.55 51.35 2wvy s ASP 169 Cb -0.14 -1.77 0.63 0.00 -1.46 0.00 0.00 42.92 40.18 2wvy s ASP 169 CO 0.01 -0.18 1.53 0.00 0.52 0.00 0.00 175.17 177.04 2wvy n ALA 170 N 4.75 2.85 -0.63 3.66 0.00 -0.28 -0.34 120.51 130.52 2wvy n ALA 170 Ca -0.15 -1.34 0.08 0.00 0.00 0.00 0.00 53.44 52.04 2wvy n ALA 170 Cb 0.47 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 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 1.13 -1.61 -2.99 0.00 4.01 -1.25 -4.66 117.16 111.80 2wvy n TYR 171 Ca 0.23 0.82 -0.07 0.00 -0.16 0.00 0.00 57.90 58.72 2wvy n TYR 171 Cb 0.74 -1.46 0.02 0.00 -0.31 0.00 0.00 39.34 38.33 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 -2.85 0.70 0.00 7.72 6.94 -1.26 -3.35 115.26 123.16 2wvy n ASN 172 Ca -0.01 -1.51 0.00 0.00 -0.02 0.00 0.00 54.58 53.04 2wvy n ASN 172 Cb 0.29 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 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 2.62 0.74 0.32 4.83 0.00 -0.84 -3.58 105.19 109.28 2wvy n GLY 173 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.11 -0.39 3.46 -0.02 0.00 0.29 -4.62 105.19 101.81 2wvy n GLY 174 Ca 0.00 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.07 2.45 0.03 1.61 1.04 0.19 -4.13 113.70 114.82 2wvy s SER 175 Ca 0.00 -1.42 -0.13 0.00 0.48 0.00 0.00 55.95 54.89 2wvy s SER 175 Cb 0.00 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.13 2wvy s SER 175 CO 0.00 -0.65 0.27 -0.94 0.98 0.00 0.00 173.24 172.91 2wvy s SER 176 N -3.51 -0.09 -0.01 7.02 1.04 -0.78 -1.96 113.70 115.40 2wvy s SER 176 Ca 0.35 -0.19 -0.01 0.00 0.48 0.00 0.00 55.95 56.58 2wvy s SER 176 Cb 0.08 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.54 2wvy s SER 176 CO 0.15 -0.57 0.03 -0.63 0.98 0.00 0.00 173.24 173.21 2wvy s ILE 177 N -2.31 -0.02 -0.10 -1.02 1.01 -0.40 -1.46 121.20 116.90 2wvy s ILE 177 Ca -0.07 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.66 2wvy s ILE 177 Cb -0.02 -0.06 0.02 0.00 0.01 0.00 0.00 42.46 42.41 2wvy s ILE 177 CO -0.02 0.03 -0.11 0.42 0.00 0.00 0.00 174.94 175.26 2wvy s THR 178 N 0.37 1.18 -0.16 2.92 -4.23 0.12 -1.23 115.64 114.61 2wvy s THR 178 Ca -0.03 -0.43 -0.09 0.00 -1.18 0.00 0.00 61.69 59.96 2wvy s THR 178 Cb -0.04 -1.13 -0.05 0.00 1.34 0.00 0.00 72.50 72.62 2wvy s THR 178 CO -0.01 0.38 0.14 -0.63 -0.54 0.00 0.00 174.62 173.96 2wvy s ILE 179 N 1.27 5.46 -0.62 2.99 1.01 0.70 -0.51 121.20 131.49 2wvy s ILE 179 Ca -0.03 0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.87 2wvy s ILE 179 Cb -0.14 -3.44 0.15 0.00 0.01 0.00 0.00 42.46 39.05 2wvy s ILE 179 CO -0.04 0.53 0.39 -1.61 0.00 0.00 0.00 174.94 174.21 2wvy s GLU 180 N -0.33 2.24 0.29 2.79 2.02 0.35 -4.82 118.70 121.25 2wvy s GLU 180 Ca 0.11 -3.02 0.00 0.00 0.02 0.00 0.00 54.97 52.09 2wvy s GLU 180 Cb -0.11 -3.37 0.45 0.00 0.10 0.00 0.00 34.13 31.20 2wvy s GLU 180 CO 0.01 -1.21 1.84 -1.00 0.02 0.00 0.00 175.26 174.93 2wvy h PRO 181 N 5.90 0.77 0.00 0.39 0.13 -1.96 -1.23 132.00 136.00 2wvy h PRO 181 Ca 0.04 -0.15 -0.04 0.00 -0.87 0.00 0.00 66.00 64.98 2wvy h PRO 181 Cb 0.82 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 2wvy h PRO 181 CO 0.70 0.70 -0.20 1.05 -0.23 0.00 0.00 178.00 180.02 2wvy h GLU 182 N 0.74 0.00 -0.02 0.86 9.09 -1.94 -1.25 114.58 122.07 2wvy h GLU 182 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.58 2wvy h GLU 182 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 2wvy h GLU 182 CO -0.00 0.20 -0.17 1.63 0.05 0.00 0.00 179.01 180.73 2wvy n LYS 183 N -3.82 1.51 -2.30 1.06 5.02 -0.55 -4.95 118.16 114.12 2wvy n LYS 183 Ca -0.02 -1.07 -0.18 0.00 -2.02 0.00 0.00 58.31 55.02 2wvy n LYS 183 Cb 0.30 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 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 0.19 -1.42 -4.23 1.97 1.74 -0.47 -4.86 116.66 109.58 2wvy n ARG 184 Ca 0.14 0.88 -0.30 0.00 -0.77 0.00 0.00 57.85 57.80 2wvy n ARG 184 Cb 0.43 -5.36 -0.09 0.00 -1.02 0.00 0.00 32.46 26.42 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 -5.10 3.20 -0.02 0.55 1.43 -0.92 -1.62 118.68 116.20 2wvy s LEU 185 Ca 0.00 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 2wvy s LEU 185 Cb 0.00 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.27 2wvy s LEU 185 CO 0.00 0.19 -0.05 -0.69 0.23 0.00 0.00 176.35 176.03 2wvy s VAL 186 N -1.21 0.49 0.20 -1.59 1.01 -0.53 -0.49 120.40 118.27 2wvy s VAL 186 Ca 0.22 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.04 2wvy s VAL 186 Cb -0.11 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 2wvy s VAL 186 CO 0.14 0.17 -0.02 -0.54 0.00 0.00 0.00 175.10 174.85 2wvy s LYS 187 N 0.30 1.23 -0.02 2.72 1.02 0.33 -0.39 119.74 124.93 2wvy s LYS 187 Ca -0.04 -1.60 -0.23 0.00 0.02 0.00 0.00 55.97 54.13 2wvy s LYS 187 Cb -0.08 -0.54 0.08 0.00 -0.52 0.00 0.00 37.83 36.77 2wvy s LYS 187 CO -0.00 -0.07 1.04 0.41 -0.92 0.00 0.00 175.35 175.81 2wvy n GLY 188 N -0.33 0.29 2.92 -3.33 0.00 -0.84 0.16 105.19 104.06 2wvy n GLY 188 Ca -0.06 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 2wvy n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wvy s ALA 189 N -1.82 0.42 -0.04 4.61 0.00 -0.53 -1.13 121.76 123.26 2wvy s ALA 189 Ca 0.24 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.16 2wvy s ALA 189 Cb -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 2wvy s ALA 189 CO -0.01 0.05 -0.23 -0.08 0.00 0.00 0.00 175.76 175.50 2wvy s THR 190 N 0.24 2.28 0.00 0.00 -1.32 -0.27 -1.87 115.64 114.71 2wvy s THR 190 Ca -0.02 -1.01 0.00 0.00 -1.21 0.00 0.00 61.69 59.45 2wvy s THR 190 Cb -0.06 -1.83 0.00 0.00 -1.51 0.00 0.00 72.50 69.10 2wvy s THR 190 CO -0.00 0.58 0.27 0.54 -2.21 0.00 0.00 174.62 173.80 2wvy n ARG 191 N 2.62 1.17 -1.59 7.08 1.74 -1.26 -0.80 116.66 125.62 2wvy n ARG 191 Ca -0.17 -0.27 -0.46 0.00 -0.77 0.00 0.00 57.85 56.18 2wvy n ARG 191 Cb 0.52 -0.74 -0.02 0.00 -1.02 0.00 0.00 32.46 31.19 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 -0.24 1.30 -3.84 -1.55 9.36 -1.24 -4.78 117.16 116.17 2wvy n TYR 192 Ca 0.00 0.69 -0.07 0.00 3.32 0.00 0.00 57.90 61.84 2wvy n TYR 192 Cb 0.04 -2.26 -0.01 0.00 -0.63 0.00 0.00 39.34 36.47 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 -0.39 -0.21 -0.28 2.98 2.20 -1.26 -1.91 114.94 116.07 2wvy s ASN 193 Ca 0.63 -0.64 0.08 0.00 -0.94 0.00 0.00 52.86 51.99 2wvy s ASN 193 Cb -0.74 0.70 0.45 0.00 -2.00 0.00 0.00 41.25 39.66 2wvy s ASN 193 CO 0.57 -1.31 1.27 0.59 -2.94 0.00 0.00 177.10 175.29 2wvy n ASN 194 N -0.59 3.62 0.00 3.54 3.02 -1.20 -4.97 115.26 118.69 2wvy n ASN 194 Ca -0.05 -3.81 0.00 0.00 -0.03 0.00 0.00 54.58 50.69 2wvy n ASN 194 Cb 0.59 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 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 -0.91 0.18 2.34 7.41 0.00 -1.26 -5.02 105.19 107.93 2wvy n GLY 195 Ca 0.35 -2.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.02 -0.18 3.16 -0.02 0.00 -1.26 -4.55 105.19 102.32 2wvy n GLY 196 Ca 0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.76 1.19 1.01 1.61 -7.23 -1.26 -0.37 120.40 112.59 2wvy s VAL 197 Ca 0.05 -1.05 -0.12 0.00 -1.81 0.00 0.00 61.98 59.04 2wvy s VAL 197 Cb -0.02 -1.08 0.19 0.00 0.56 0.00 0.00 36.38 36.04 2wvy s VAL 197 CO 0.06 0.01 1.08 -2.84 -0.31 0.00 0.00 175.10 173.10 2wvy s PRO 198 N -1.20 0.33 0.49 4.82 0.02 -1.26 -4.94 135.00 133.26 2wvy s PRO 198 Ca 0.02 0.67 0.21 0.00 0.02 0.00 0.00 61.00 61.92 2wvy s PRO 198 Cb -0.08 -1.71 1.24 0.00 0.02 0.00 0.00 34.50 33.97 2wvy s PRO 198 CO 0.01 -2.83 2.03 -0.44 -0.33 0.00 0.00 177.00 175.44 2wvy h ASP 199 N -1.97 0.00 -0.55 2.53 3.32 -1.98 -2.46 116.42 115.30 2wvy h ASP 199 Ca -0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.50 2wvy h ASP 199 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2wvy h ASP 199 CO 0.55 0.16 0.00 -0.46 -1.72 0.00 0.00 179.24 177.77 2wvy n ASN 200 N -3.95 4.41 -4.67 6.45 6.94 -1.26 -5.01 115.26 118.17 2wvy n ASN 200 Ca -0.02 -2.48 -0.43 0.00 -0.02 0.00 0.00 54.58 51.63 2wvy n ASN 200 Cb 0.24 -0.57 -0.01 0.00 -2.36 0.00 0.00 39.78 37.08 2wvy n ASN 200 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2wvy n PHE 201 N 0.88 2.07 -3.58 -2.53 7.35 -0.93 -5.02 117.46 115.69 2wvy n PHE 201 Ca 0.23 0.55 -0.09 0.00 -0.76 0.00 0.00 57.45 57.38 2wvy n PHE 201 Cb 0.85 -2.39 -0.05 0.00 0.35 0.00 0.00 39.48 38.24 2wvy n PHE 201 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wvy s ALA 202 N -0.84 -1.96 -0.21 3.13 0.00 -1.26 -4.82 121.76 115.79 2wvy s ALA 202 Ca 0.59 1.62 -0.07 0.00 0.00 0.00 0.00 51.96 54.10 2wvy s ALA 202 Cb -0.61 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 2wvy s ALA 202 CO 0.59 -0.32 0.06 1.21 0.00 0.00 0.00 175.76 177.30 2wvy s ASN 203 N -1.16 5.32 -0.23 0.00 2.47 0.02 -4.59 114.94 116.77 2wvy s ASN 203 Ca 0.00 -0.07 -0.10 0.00 0.42 0.00 0.00 52.86 53.12 2wvy s ASN 203 Cb -0.01 -1.93 -0.05 0.00 -1.45 0.00 0.00 41.25 37.82 2wvy s ASN 203 CO -0.00 0.08 0.14 -0.31 -3.72 0.00 0.00 177.10 173.29 2wvy s TYR 204 N 0.93 3.28 0.32 0.43 2.02 0.64 -1.11 117.35 123.85 2wvy s TYR 204 Ca 0.03 0.13 0.07 0.00 -0.37 0.00 0.00 57.07 56.93 2wvy s TYR 204 Cb -0.14 -2.25 -0.06 0.00 -0.40 0.00 0.00 41.96 39.11 2wvy s TYR 204 CO 0.03 0.02 -0.03 -0.59 -1.57 0.00 0.00 175.55 173.41 2wvy s PHE 205 N 1.06 2.12 -0.15 2.71 -0.12 -0.29 -0.60 117.98 122.71 2wvy s PHE 205 Ca 0.07 -0.72 -0.18 0.00 -0.05 0.00 0.00 56.93 56.05 2wvy s PHE 205 Cb -0.14 -1.30 0.05 0.00 -0.63 0.00 0.00 43.02 41.00 2wvy s PHE 205 CO 0.04 0.30 0.48 1.41 -0.05 0.00 0.00 175.22 177.40 2wvy s MET 206 N -3.74 0.62 0.06 1.99 1.75 -0.53 -1.99 119.30 117.46 2wvy s MET 206 Ca 0.32 0.52 -0.10 0.00 -1.25 0.00 0.00 55.69 55.18 2wvy s MET 206 Cb 0.06 0.30 0.01 0.00 2.84 0.00 0.00 34.83 38.03 2wvy s MET 206 CO 0.14 -0.11 0.22 0.00 -0.65 0.00 0.00 175.02 174.63 2wvy s MET 207 N -0.09 0.77 0.00 4.11 0.23 0.47 -1.77 119.30 123.03 2wvy s MET 207 Ca -0.03 -0.70 0.02 0.00 -1.03 0.00 0.00 55.69 53.95 2wvy s MET 207 Cb -0.03 0.32 -0.01 0.00 -1.53 0.00 0.00 34.83 33.58 2wvy s MET 207 CO 0.02 -0.24 -0.07 -2.00 -2.03 0.00 0.00 175.02 170.70 2wvy s GLU 208 N -2.97 0.57 0.09 3.16 2.12 0.17 -1.45 118.70 120.38 2wvy s GLU 208 Ca -0.02 -0.32 0.06 0.00 0.36 0.00 0.00 54.97 55.05 2wvy s GLU 208 Cb 0.01 -0.53 -0.04 0.00 0.26 0.00 0.00 34.13 33.83 2wvy s GLU 208 CO -0.06 0.14 -0.06 -0.06 -0.54 0.00 0.00 175.26 174.68 2wvy s PHE 209 N -0.32 2.85 -0.11 5.30 0.08 -0.64 -1.02 117.98 124.12 2wvy s PHE 209 Ca 0.01 -0.09 0.17 0.00 0.12 0.00 0.00 56.93 57.14 2wvy s PHE 209 Cb -0.04 -1.50 0.23 0.00 -0.57 0.00 0.00 43.02 41.15 2wvy s PHE 209 CO -0.00 0.44 1.52 0.66 -0.10 0.00 0.00 175.22 177.74 2wvy h SER 210 N 3.67 0.00 -2.79 1.36 4.64 -1.48 -3.47 113.55 115.48 2wvy h SER 210 Ca -0.48 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.22 2wvy h SER 210 Cb 1.17 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.11 2wvy h SER 210 CO 0.55 0.43 -0.73 -1.00 -0.87 0.00 0.00 176.83 175.21 2wvy s HIS 211 N -3.11 2.54 0.44 4.77 3.76 -1.26 -4.98 115.29 117.45 2wvy s HIS 211 Ca 0.03 -0.26 -0.26 0.00 -0.15 0.00 0.00 55.06 54.43 2wvy s HIS 211 Cb 0.08 -1.20 -0.08 0.00 1.11 0.00 0.00 32.58 32.48 2wvy s HIS 211 CO 0.72 0.56 1.42 -1.25 -0.85 0.00 0.00 174.74 175.34 2wvy s PRO 212 N -3.04 3.75 -0.38 8.40 0.04 -1.26 -4.94 135.00 137.57 2wvy s PRO 212 Ca 0.26 2.40 -0.24 0.00 0.04 0.00 0.00 61.00 63.47 2wvy s PRO 212 Cb -0.08 -2.69 0.01 0.00 0.04 0.00 0.00 34.50 31.78 2wvy s PRO 212 CO 0.15 -0.76 0.81 0.08 0.04 0.00 0.00 177.00 177.32 2wvy s VAL 213 N -1.20 4.69 0.03 -0.36 1.01 -1.26 -4.45 120.40 118.86 2wvy s VAL 213 Ca 0.60 0.83 -0.07 0.00 0.00 0.00 0.00 61.98 63.33 2wvy s VAL 213 Cb -0.43 -4.25 -0.30 0.00 0.00 0.00 0.00 36.38 31.39 2wvy s VAL 213 CO 0.56 -0.51 0.97 0.40 0.00 0.00 0.00 175.10 176.51 2wvy h ILE 214 N 5.82 1.28 -3.74 2.22 1.08 -0.96 -3.48 117.51 119.73 2wvy h ILE 214 Ca -0.25 -2.83 -0.08 0.00 -0.39 0.00 0.00 64.86 61.31 2wvy h ILE 214 Cb 1.09 2.89 -0.12 0.00 -3.07 0.00 0.00 36.82 37.61 2wvy h ILE 214 CO 0.93 0.85 -0.24 -1.61 -0.69 0.00 0.00 178.15 177.38 2wvy s GLU 215 N -2.62 1.18 0.05 2.37 2.02 -1.17 -4.99 118.70 115.53 2wvy s GLU 215 Ca -0.08 -1.08 -0.28 0.00 0.02 0.00 0.00 54.97 53.55 2wvy s GLU 215 Cb 0.06 0.41 0.09 0.00 0.10 0.00 0.00 34.13 34.79 2wvy s GLU 215 CO 0.89 -0.44 0.96 1.52 0.02 0.00 0.00 175.26 178.20 2wvy s TYR 216 N -3.93 -0.23 0.03 1.61 -0.85 -1.26 -0.00 117.35 112.72 2wvy s TYR 216 Ca 0.14 0.03 -0.28 0.00 -0.52 0.00 0.00 57.07 56.44 2wvy s TYR 216 Cb 0.02 0.58 0.10 0.00 0.38 0.00 0.00 41.96 43.04 2wvy s TYR 216 CO -0.02 -0.63 1.22 0.20 -1.52 0.00 0.00 175.55 174.80 2wvy s GLY 217 N -2.69 -0.18 0.26 5.49 0.00 -0.91 -1.20 107.32 108.09 2wvy s GLY 217 Ca 0.09 0.18 0.05 0.00 0.00 0.00 0.00 44.72 45.04 2wvy s GLY 217 CO -0.04 2.84 -0.02 -0.51 0.00 0.00 0.00 173.10 175.37 2wvy s THR 218 N -2.26 1.29 -0.09 0.90 -4.23 -0.74 -1.55 115.64 108.95 2wvy s THR 218 Ca 0.22 -2.06 -0.05 0.00 -1.18 0.00 0.00 61.69 58.61 2wvy s THR 218 Cb 0.01 -2.42 0.04 0.00 1.34 0.00 0.00 72.50 71.47 2wvy s THR 218 CO -0.00 -0.29 0.22 -0.47 -0.54 0.00 0.00 174.62 173.53 2wvy s TYR 219 N -3.25 -0.28 -0.20 3.99 5.04 0.24 0.06 117.35 122.94 2wvy s TYR 219 Ca 0.29 0.69 0.15 0.00 -2.44 0.00 0.00 57.07 55.76 2wvy s TYR 219 Cb 0.05 0.02 0.53 0.00 0.35 0.00 0.00 41.96 42.91 2wvy s TYR 219 CO 0.10 -0.20 1.44 0.27 -1.34 0.00 0.00 175.55 175.82 2wvy n ASN 220 N 4.06 3.64 0.00 4.32 0.23 -1.13 -1.30 115.26 125.08 2wvy n ASN 220 Ca -0.24 -3.17 0.00 0.00 -0.53 0.00 0.00 54.58 50.64 2wvy n ASN 220 Cb 0.53 -0.57 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 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 -0.64 2.79 0.65 4.83 0.00 -1.13 -4.56 105.19 107.12 2wvy n GLY 221 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 1.46 -4.12 1.61 8.00 -1.26 -5.08 116.55 117.16 2wvy n ASP 222 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 2wvy n ASP 222 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 2wvy n ASP 222 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2wvy s THR 223 N -1.98 1.11 -0.23 -3.53 2.01 -1.26 -5.11 115.64 106.65 2wvy s THR 223 Ca 0.00 -0.68 -0.22 0.00 0.31 0.00 0.00 61.69 61.11 2wvy s THR 223 Cb 0.00 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 2wvy s THR 223 CO 0.00 0.25 0.68 -0.22 -0.69 0.00 0.00 174.62 174.64 2wvy s LEU 224 N -0.49 4.09 -0.41 4.42 2.96 -1.26 -2.85 118.68 125.14 2wvy s LEU 224 Ca 0.05 0.83 -0.04 0.00 -0.22 0.00 0.00 54.13 54.75 2wvy s LEU 224 Cb -0.06 -2.95 0.11 0.00 0.50 0.00 0.00 46.19 43.79 2wvy s LEU 224 CO -0.00 -0.37 0.21 -0.76 -1.32 0.00 0.00 176.35 174.10 2wvy s LEU 225 N 2.39 5.22 0.36 -0.68 1.43 0.11 -4.97 118.68 122.54 2wvy s LEU 225 Ca 0.29 -1.95 -0.28 0.00 -1.03 0.00 0.00 54.13 51.16 2wvy s LEU 225 Cb -0.16 -1.85 -0.10 0.00 0.03 0.00 0.00 46.19 44.12 2wvy s LEU 225 CO 0.09 -0.54 1.31 -1.00 0.23 0.00 0.00 176.35 176.44 2wvy s HIS 226 N 1.18 2.95 0.00 0.29 3.76 -1.26 -1.79 115.29 120.42 2wvy s HIS 226 Ca 0.07 1.40 0.00 0.00 -0.15 0.00 0.00 55.06 56.38 2wvy s HIS 226 Cb -0.23 -3.69 0.00 0.00 1.11 0.00 0.00 32.58 29.77 2wvy s HIS 226 CO -0.03 -1.99 0.00 0.72 -0.85 0.00 0.00 174.74 172.59 2wvy n HIS 227 N 0.54 0.00 -3.10 1.40 8.25 -0.34 -4.94 115.22 117.04 2wvy n HIS 227 Ca 0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 2wvy n HIS 227 Cb 0.42 -0.10 -0.06 0.00 1.12 0.00 0.00 29.99 31.38 2wvy n HIS 227 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2wvy s GLN 228 N -0.03 4.41 -0.01 -0.41 -0.21 -1.17 -4.93 119.66 117.32 2wvy s GLN 228 Ca 0.00 0.95 0.15 0.00 0.02 0.00 0.00 55.36 56.48 2wvy s GLN 228 Cb 0.00 -3.29 -0.18 0.00 1.00 0.00 0.00 33.01 30.53 2wvy s GLN 228 CO 0.00 0.48 0.55 0.25 -2.12 0.00 0.00 175.29 174.45 2wvy n THR 229 N 2.12 0.00 -4.08 -0.19 -2.24 -1.26 -3.57 114.28 105.06 2wvy n THR 229 Ca -0.06 -0.20 -0.21 0.00 -2.27 0.00 0.00 64.05 61.30 2wvy n THR 229 Cb 0.50 0.78 -0.17 0.00 -2.10 0.00 0.00 70.33 69.34 2wvy n THR 229 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wvy s ASP 230 N -2.75 1.25 -0.05 3.42 2.15 -1.26 -0.22 116.67 119.21 2wvy s ASP 230 Ca 0.03 -0.14 -0.08 0.00 0.43 0.00 0.00 52.55 52.78 2wvy s ASP 230 Cb 0.11 -0.50 0.01 0.00 -0.30 0.00 0.00 42.92 42.24 2wvy s ASP 230 CO 0.61 -0.09 0.20 0.54 -0.17 0.00 0.00 175.17 176.27 2wvy s VAL 231 N 1.20 0.03 -0.15 1.11 0.11 -0.36 -5.02 120.40 117.33 2wvy s VAL 231 Ca -0.06 -0.26 -0.08 0.00 -2.93 0.00 0.00 61.98 58.64 2wvy s VAL 231 Cb -0.14 -0.37 0.05 0.00 -1.53 0.00 0.00 36.38 34.40 2wvy s VAL 231 CO -0.02 -0.14 0.36 0.00 -3.33 0.00 0.00 175.10 171.97 2wvy s ALA 232 N -0.50 -0.91 0.10 1.54 0.00 -1.26 -1.27 121.76 119.46 2wvy s ALA 232 Ca -0.06 1.35 -0.21 0.00 0.00 0.00 0.00 51.96 53.04 2wvy s ALA 232 Cb -0.04 -0.83 0.07 0.00 0.00 0.00 0.00 23.12 22.33 2wvy s ALA 232 CO 0.01 -0.24 0.99 0.00 0.00 0.00 0.00 175.76 176.52 2wvy n ALA 233 N 4.14 -2.67 0.10 0.00 0.00 -0.83 -5.02 120.51 116.24 2wvy n ALA 233 Ca -0.23 -0.84 -0.12 0.00 0.00 0.00 0.00 53.44 52.25 2wvy n ALA 233 Cb 0.55 0.37 -0.05 0.00 0.00 0.00 0.00 19.45 20.32 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 1.75 -0.60 -3.33 0.00 3.58 -1.85 0.56 116.42 116.53 2wvy h ASP 234 Ca -0.22 0.07 -0.64 0.00 0.42 0.00 0.00 57.03 56.66 2wvy h ASP 234 Cb 1.05 0.23 -0.33 0.00 1.72 0.00 0.00 39.33 42.00 2wvy h ASP 234 CO 0.31 -0.29 -0.86 -0.47 -2.88 0.00 0.00 179.24 175.04 2wvy s TYR 235 N -6.09 2.30 0.04 0.28 5.04 -1.26 -0.54 117.35 117.11 2wvy s TYR 235 Ca -0.15 -0.97 0.03 0.00 -2.44 0.00 0.00 57.07 53.54 2wvy s TYR 235 Cb 0.08 -1.57 -0.02 0.00 0.35 0.00 0.00 41.96 40.80 2wvy s TYR 235 CO 0.66 -0.42 -0.11 0.95 -1.34 0.00 0.00 175.55 175.29 2wvy s THR 236 N 0.52 0.80 0.09 4.34 -4.23 -1.21 -2.84 115.64 113.10 2wvy s THR 236 Ca -0.16 -1.03 -0.04 0.00 -1.18 0.00 0.00 61.69 59.29 2wvy s THR 236 Cb -0.17 -0.79 -0.03 0.00 1.34 0.00 0.00 72.50 72.85 2wvy s THR 236 CO 0.06 -0.20 0.07 0.00 -0.54 0.00 0.00 174.62 174.01 2wvy s ALA 238 N -3.94 0.29 0.12 0.00 0.00 0.60 -0.59 121.76 118.25 2wvy s ALA 238 Ca 0.11 -0.84 0.09 0.00 0.00 0.00 0.00 51.96 51.32 2wvy s ALA 238 Cb 0.07 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 2wvy s ALA 238 CO -0.07 -0.23 -0.22 1.52 0.00 0.00 0.00 175.76 176.76 2wvy s TYR 239 N -2.39 1.90 0.03 0.00 -0.85 -0.60 -0.29 117.35 115.15 2wvy s TYR 239 Ca -0.07 -0.42 0.06 0.00 -0.52 0.00 0.00 57.07 56.12 2wvy s TYR 239 Cb -0.03 -1.02 -0.02 0.00 0.38 0.00 0.00 41.96 41.27 2wvy s TYR 239 CO -0.04 0.26 -0.17 -0.51 -1.52 0.00 0.00 175.55 173.57 2wvy s LEU 240 N -2.09 2.13 -0.09 -3.49 2.01 -0.27 -2.14 118.68 114.73 2wvy s LEU 240 Ca 0.10 -0.44 0.03 0.00 0.01 0.00 0.00 54.13 53.83 2wvy s LEU 240 Cb -0.09 -0.81 -0.01 0.00 0.01 0.00 0.00 46.19 45.29 2wvy s LEU 240 CO 0.05 0.13 -0.19 -0.75 1.01 0.00 0.00 176.35 176.59 2wvy s LYS 241 N -0.94 2.97 0.46 1.70 2.20 1.00 -1.09 119.74 126.03 2wvy s LYS 241 Ca 0.05 -0.80 0.05 0.00 -0.36 0.00 0.00 55.97 54.91 2wvy s LYS 241 Cb -0.08 -2.38 -0.03 0.00 -1.51 0.00 0.00 37.83 33.82 2wvy s LYS 241 CO 0.01 0.30 0.11 -0.06 -0.36 0.00 0.00 175.35 175.35 2wvy s PHE 242 N 0.08 2.21 -0.37 4.03 0.08 0.22 -0.24 117.98 123.99 2wvy s PHE 242 Ca -0.09 -0.76 0.12 0.00 0.12 0.00 0.00 56.93 56.32 2wvy s PHE 242 Cb -0.15 -1.80 0.35 0.00 -0.57 0.00 0.00 43.02 40.85 2wvy s PHE 242 CO 0.06 0.17 0.74 -3.47 -0.10 0.00 0.00 175.22 172.62 2wvy n ASP 243 N -1.25 0.95 -4.72 1.36 2.03 -1.26 -4.38 116.55 109.28 2wvy n ASP 243 Ca -0.08 -3.02 -0.42 0.00 0.52 0.00 0.00 54.79 51.80 2wvy n ASP 243 Cb 0.66 -0.61 -0.03 0.00 -0.72 0.00 0.00 41.12 40.41 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 -2.51 2.96 0.62 5.18 1.01 -1.26 -4.97 120.40 121.44 2wvy s VAL 244 Ca 0.40 0.70 -0.17 0.00 0.00 0.00 0.00 61.98 62.91 2wvy s VAL 244 Cb 0.35 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 2wvy s VAL 244 CO -0.08 0.06 1.15 -2.84 0.00 0.00 0.00 175.10 173.39 2wvy s PRO 245 N 0.97 2.92 0.25 2.72 0.02 -1.26 -4.92 135.00 135.70 2wvy s PRO 245 Ca 0.66 1.60 -0.31 0.00 0.02 0.00 0.00 61.00 62.97 2wvy s PRO 245 Cb -0.40 -1.95 -0.14 0.00 0.02 0.00 0.00 34.50 32.04 2wvy s PRO 245 CO 0.32 -1.19 1.35 0.00 -0.33 0.00 0.00 177.00 177.15 2wvy n ALA 246 N -1.93 0.89 0.00 -1.55 0.00 -1.26 -1.50 120.51 115.15 2wvy n ALA 246 Ca 0.12 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2wvy n ALA 246 Cb 0.51 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 1.95 1.89 3.85 0.00 0.00 -1.26 -5.05 105.19 106.56 2wvy n GLY 247 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.62 3.06 0.07 1.61 2.02 -0.56 -5.12 118.70 119.16 2wvy s GLU 248 Ca 0.00 -0.86 0.08 0.00 0.02 0.00 0.00 54.97 54.20 2wvy s GLU 248 Cb 0.00 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.49 2wvy s GLU 248 CO 0.00 0.46 -0.18 0.15 0.02 0.00 0.00 175.26 175.71 2wvy s LYS 249 N -3.42 1.97 0.04 1.61 1.02 -1.26 -4.74 119.74 114.96 2wvy s LYS 249 Ca 0.32 -1.05 -0.28 0.00 0.02 0.00 0.00 55.97 54.98 2wvy s LYS 249 Cb -0.09 -2.16 -0.05 0.00 -0.52 0.00 0.00 37.83 35.01 2wvy s LYS 249 CO 0.25 0.52 0.89 -1.17 -0.92 0.00 0.00 175.35 174.92 2wvy s LEU 250 N -1.68 4.43 -0.11 3.17 2.96 0.10 -4.86 118.68 122.69 2wvy s LEU 250 Ca 0.16 1.60 -0.03 0.00 -0.22 0.00 0.00 54.13 55.64 2wvy s LEU 250 Cb -0.11 -3.44 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 2wvy s LEU 250 CO 0.07 -0.11 0.02 -0.89 -1.32 0.00 0.00 176.35 174.12 2wvy s THR 251 N 0.36 4.45 -0.12 3.68 2.01 -1.26 -0.23 115.64 124.53 2wvy s THR 251 Ca 0.45 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.28 2wvy s THR 251 Cb -0.21 -2.90 0.01 0.00 0.01 0.00 0.00 72.50 69.41 2wvy s THR 251 CO 0.26 0.58 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.98 2wvy s ILE 252 N -0.66 1.65 -0.08 1.82 1.01 -0.57 -1.14 121.20 123.23 2wvy s ILE 252 Ca 0.11 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.04 2wvy s ILE 252 Cb -0.12 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 2wvy s ILE 252 CO 0.02 0.47 -0.11 -0.13 0.00 0.00 0.00 174.94 175.20 2wvy s ARG 253 N 0.96 2.83 0.03 2.79 0.52 -0.19 0.04 118.95 125.92 2wvy s ARG 253 Ca -0.06 -0.63 -0.09 0.00 -0.52 0.00 0.00 55.73 54.43 2wvy s ARG 253 Cb -0.15 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 32.78 2wvy s ARG 253 CO -0.02 0.54 0.17 -0.08 0.02 0.00 0.00 175.30 175.93 2wvy s THR 254 N -0.49 0.10 0.21 0.02 -1.32 -0.12 -0.65 115.64 113.40 2wvy s THR 254 Ca 0.07 -0.86 -0.19 0.00 -1.21 0.00 0.00 61.69 59.50 2wvy s THR 254 Cb -0.12 -0.80 0.03 0.00 -1.51 0.00 0.00 72.50 70.10 2wvy s THR 254 CO 0.02 -0.47 0.57 0.00 -2.21 0.00 0.00 174.62 172.52 2wvy s ALA 255 N -2.27 -1.05 0.28 11.08 0.00 -0.73 -1.03 121.76 128.05 2wvy s ALA 255 Ca -0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.68 2wvy s ALA 255 Cb -0.03 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 2wvy s ALA 255 CO -0.02 -0.84 0.38 -1.54 0.00 0.00 0.00 175.76 173.73 2wvy s SER 256 N -2.87 0.54 -0.04 0.00 1.04 -1.07 -1.45 113.70 109.85 2wvy s SER 256 Ca 0.09 -1.34 -0.16 0.00 0.48 0.00 0.00 55.95 55.02 2wvy s SER 256 Cb -0.02 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.70 2wvy s SER 256 CO -0.02 -1.13 0.35 -0.55 0.98 0.00 0.00 173.24 172.87 2wvy s SER 257 N -3.17 -0.26 0.00 7.02 0.15 0.23 -4.73 113.70 112.94 2wvy s SER 257 Ca 0.31 0.24 0.24 0.00 0.70 0.00 0.00 55.95 57.44 2wvy s SER 257 Cb 0.02 0.40 0.38 0.00 -1.71 0.00 0.00 66.02 65.10 2wvy s SER 257 CO 0.16 -0.41 1.32 0.49 1.20 0.00 0.00 173.24 176.00 2wvy n PHE 258 N 1.48 0.00 -0.08 3.44 3.72 -1.26 -0.26 117.46 124.49 2wvy n PHE 258 Ca -0.20 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.06 2wvy n PHE 258 Cb 0.56 -0.11 -0.08 0.00 -0.94 0.00 0.00 39.48 38.92 2wvy n PHE 258 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2wvy h ILE 259 N 0.96 0.65 -1.74 4.37 2.04 -1.95 -3.45 117.51 118.39 2wvy h ILE 259 Ca 0.00 -1.73 0.24 0.00 1.00 0.00 0.00 64.86 64.37 2wvy h ILE 259 Cb 0.56 1.47 -0.15 0.00 -0.74 0.00 0.00 36.82 37.96 2wvy h ILE 259 CO 0.00 0.22 0.71 -0.94 0.00 0.00 0.00 178.15 178.14 2wvy s SER 260 N -6.31 -0.16 0.34 1.72 1.04 -1.26 -4.99 113.70 104.08 2wvy s SER 260 Ca -0.21 -0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.14 2wvy s SER 260 Cb 0.03 0.24 0.61 0.00 0.10 0.00 0.00 66.02 67.01 2wvy s SER 260 CO 0.43 -0.42 2.00 -0.65 0.98 0.00 0.00 173.24 175.58 2wvy h PRO 261 N 2.00 0.87 -0.75 4.02 0.11 -1.91 -1.03 132.00 135.31 2wvy h PRO 261 Ca -0.20 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.88 2wvy h PRO 261 Cb 1.20 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 2wvy h PRO 261 CO 0.26 0.58 0.48 0.93 -0.21 0.00 0.00 178.00 180.04 2wvy h GLU 262 N 0.90 0.93 0.00 1.05 3.07 -1.98 -1.73 114.58 116.81 2wvy h GLU 262 Ca 0.26 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.36 58.95 2wvy h GLU 262 Cb -0.06 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.62 2wvy h GLU 262 CO -0.06 0.61 -0.53 0.37 -1.40 0.00 0.00 179.01 178.01 2wvy h GLN 263 N 0.95 0.00 -0.54 2.33 5.75 -1.80 -1.44 115.11 120.37 2wvy h GLN 263 Ca 0.30 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.70 2wvy h GLN 263 Cb -0.02 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 2wvy h GLN 263 CO -0.10 0.53 -0.06 0.00 -2.65 0.00 0.00 178.83 176.54 2wvy h ALA 264 N 1.47 0.87 -0.21 3.38 0.00 -0.67 0.56 119.26 124.67 2wvy h ALA 264 Ca -0.01 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 2wvy h ALA 264 Cb 1.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2wvy h ALA 264 CO 0.07 0.65 -0.40 0.00 0.00 0.00 0.00 179.25 179.57 2wvy h ALA 265 N 1.04 0.92 0.23 0.00 0.00 -0.94 0.23 119.26 120.74 2wvy h ALA 265 Ca 0.15 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2wvy h ALA 265 Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wvy h ALA 265 CO 0.04 0.63 -0.11 0.82 0.00 0.00 0.00 179.25 180.63 2wvy h ILE 266 N 0.40 0.80 -0.65 0.00 2.04 -0.78 -0.63 117.51 118.68 2wvy h ILE 266 Ca 0.04 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 65.85 2wvy h ILE 266 Cb 0.88 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 2wvy h ILE 266 CO 0.07 0.03 0.32 0.78 0.00 0.00 0.00 178.15 179.35 2wvy h ASN 267 N -0.37 0.43 -0.07 1.72 2.35 -0.65 -1.22 115.58 117.77 2wvy h ASN 267 Ca -0.03 0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 2wvy h ASN 267 Cb 0.28 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 2wvy h ASN 267 CO 0.05 0.27 -0.10 0.15 -1.65 0.00 0.00 177.43 176.15 2wvy h PHE 268 N 0.58 -0.24 -0.16 1.19 3.57 -0.34 -0.82 116.94 120.72 2wvy h PHE 268 Ca 0.31 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.71 2wvy h PHE 268 Cb 0.28 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2wvy h PHE 268 CO -0.11 -0.15 -0.37 -0.91 -2.23 0.00 0.00 178.31 174.54 2wvy h ASN 269 N -0.13 0.37 -0.20 0.41 2.35 -0.82 -0.33 115.58 117.22 2wvy h ASN 269 Ca 0.06 -0.15 -0.20 0.00 -0.55 0.00 0.00 56.30 55.46 2wvy h ASN 269 Cb 0.22 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.49 2wvy h ASN 269 CO -0.15 0.71 -0.67 -0.09 -1.65 0.00 0.00 177.43 175.59 2wvy h ARG 270 N 0.30 0.81 0.00 0.81 2.43 -1.07 -3.39 114.38 114.27 2wvy h ARG 270 Ca 0.03 -0.60 -0.33 0.00 -0.81 0.00 0.00 59.98 58.27 2wvy h ARG 270 Cb 0.80 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.39 2wvy h ARG 270 CO 0.06 1.22 -2.25 0.39 -1.51 0.00 0.00 179.97 177.88 2wvy n GLU 271 N -3.99 0.92 0.00 0.20 1.02 -0.33 -4.81 120.64 113.65 2wvy n GLU 271 Ca -0.06 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2wvy n GLU 271 Cb 0.69 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 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 -2.83 0.00 -1.72 2.62 0.24 -0.23 -4.97 118.33 111.45 2wvy n VAL 272 Ca -0.33 -0.20 -0.43 0.00 -2.04 0.00 0.00 64.34 61.35 2wvy n VAL 272 Cb 1.03 1.08 -0.02 0.00 -1.47 0.00 0.00 33.84 34.46 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 -0.34 2.40 -0.66 2.33 0.00 -0.65 -1.74 120.51 121.85 2wvy n ALA 273 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2wvy n ALA 273 Cb 0.02 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.01 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 2.94 0.00 -4.82 0.00 10.43 -1.26 -4.99 116.55 118.84 2wvy n ASP 274 Ca 0.12 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.16 2wvy n ASP 274 Cb 0.35 -0.85 -0.06 0.00 1.84 0.00 0.00 41.12 42.39 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 -2.77 3.05 0.56 2.24 0.00 -0.71 -5.08 121.76 119.04 2wvy s ALA 275 Ca 0.00 0.35 0.08 0.00 0.00 0.00 0.00 51.96 52.39 2wvy s ALA 275 Cb 0.00 -3.13 0.06 0.00 0.00 0.00 0.00 23.12 20.05 2wvy s ALA 275 CO 0.00 0.08 0.61 0.16 0.00 0.00 0.00 175.76 176.61 2wvy s ASP 276 N -2.32 4.90 0.25 0.00 1.47 -1.26 -4.96 116.67 114.75 2wvy s ASP 276 Ca 0.61 -1.02 -0.02 0.00 1.18 0.00 0.00 52.55 53.31 2wvy s ASP 276 Cb -0.09 0.32 0.31 0.00 -0.34 0.00 0.00 42.92 43.12 2wvy s ASP 276 CO 0.16 -1.22 1.72 1.62 0.68 0.00 0.00 175.17 178.13 2wvy h VAL 277 N 0.45 1.25 -0.88 2.11 3.04 -1.87 -2.87 116.25 117.49 2wvy h VAL 277 Ca -0.33 -1.13 0.02 0.00 -1.01 0.00 0.00 66.70 64.24 2wvy h VAL 277 Cb 1.29 1.05 -0.05 0.00 -2.01 0.00 0.00 31.29 31.58 2wvy h VAL 277 CO 0.48 0.39 0.58 1.56 -1.01 0.00 0.00 177.57 179.57 2wvy h GLN 278 N 0.66 1.13 -0.15 4.17 7.50 -1.96 0.18 115.11 126.64 2wvy h GLN 278 Ca 0.11 -0.07 -0.00 0.00 0.50 0.00 0.00 58.65 59.19 2wvy h GLN 278 Cb 0.56 -0.26 -0.01 0.00 0.05 0.00 0.00 27.48 27.83 2wvy h GLN 278 CO 0.04 0.75 0.08 1.25 -1.50 0.00 0.00 178.83 179.45 2wvy h LEU 279 N 1.17 0.19 -0.53 1.46 5.85 -1.91 -0.69 115.31 120.84 2wvy h LEU 279 Ca 0.33 -0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.81 2wvy h LEU 279 Cb -0.10 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 2wvy h LEU 279 CO -0.08 0.21 -0.48 0.40 -0.34 0.00 0.00 178.44 178.15 2wvy h ILE 280 N 0.14 1.30 -0.12 4.05 1.08 -1.29 -2.20 117.51 120.48 2wvy h ILE 280 Ca 0.05 -1.69 0.03 0.00 -0.39 0.00 0.00 64.86 62.86 2wvy h ILE 280 Cb 0.07 1.64 -0.03 0.00 -3.07 0.00 0.00 36.82 35.43 2wvy h ILE 280 CO -0.01 0.53 -0.04 -1.28 -0.69 0.00 0.00 178.15 176.66 2wvy h SER 281 N 0.50 -0.15 -0.78 1.72 0.87 -0.59 -1.09 113.55 114.03 2wvy h SER 281 Ca 0.03 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2wvy h SER 281 Cb 1.03 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 63.04 2wvy h SER 281 CO 0.10 -0.06 0.47 1.23 -0.53 0.00 0.00 176.83 178.04 2wvy h GLY 282 N -0.02 1.13 1.04 5.77 0.00 -0.88 0.29 103.07 110.40 2wvy h GLY 282 Ca 0.06 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 2wvy h GLY 282 CO -0.14 0.45 -0.07 0.50 0.00 0.00 0.00 176.54 177.29 2wvy h LYS 283 N 1.07 0.92 -0.56 4.80 1.57 -1.24 -1.83 116.57 121.31 2wvy h LYS 283 Ca 0.28 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2wvy h LYS 283 Cb -0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2wvy h LYS 283 CO -0.05 0.98 0.03 0.00 -0.57 0.00 0.00 179.45 179.84 2wvy h ALA 284 N 0.91 0.74 -0.62 3.86 0.00 -0.86 -0.87 119.26 122.42 2wvy h ALA 284 Ca 0.13 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2wvy h ALA 284 Cb 0.61 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2wvy h ALA 284 CO 0.04 0.54 0.36 -0.09 0.00 0.00 0.00 179.25 180.10 2wvy h ARG 285 N 0.84 0.66 -0.62 0.00 2.43 -0.85 -0.13 114.38 116.72 2wvy h ARG 285 Ca 0.16 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 2wvy h ARG 285 Cb 0.49 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2wvy h ARG 285 CO 0.02 0.44 0.08 1.49 -1.51 0.00 0.00 179.97 180.49 2wvy h GLU 286 N 0.68 1.04 -0.34 0.20 4.81 -1.10 -1.41 114.58 118.45 2wvy h GLU 286 Ca 0.26 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2wvy h GLU 286 Cb 0.10 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2wvy h GLU 286 CO -0.14 0.98 0.19 1.96 -0.73 0.00 0.00 179.01 181.26 2wvy h GLN 287 N 0.94 0.48 -0.67 1.92 1.08 -0.49 -1.02 115.11 117.35 2wvy h GLN 287 Ca 0.18 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 2wvy h GLN 287 Cb 0.46 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 2wvy h GLN 287 CO 0.02 0.40 0.38 -1.49 -0.95 0.00 0.00 178.83 177.19 2wvy h TRP 288 N 0.43 0.90 -0.74 2.96 4.06 -0.91 -1.95 115.95 120.71 2wvy h TRP 288 Ca 0.12 -0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.03 2wvy h TRP 288 Cb 0.06 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 27.90 2wvy h TRP 288 CO -0.03 0.63 0.33 -0.91 -3.56 0.00 0.00 178.44 174.90 2wvy h ASN 289 N 0.91 0.98 0.13 -3.49 2.35 -1.02 0.86 115.58 116.30 2wvy h ASN 289 Ca 0.24 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 2wvy h ASN 289 Cb 0.01 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2wvy h ASN 289 CO -0.04 0.86 -0.16 0.78 -1.65 0.00 0.00 177.43 177.22 2wvy h ASN 290 N 1.04 -0.43 -0.05 5.81 4.21 -0.89 0.49 115.58 125.77 2wvy h ASN 290 Ca 0.25 0.05 -0.11 0.00 1.21 0.00 0.00 56.30 57.69 2wvy h ASN 290 Cb 0.15 0.16 0.01 0.00 -1.12 0.00 0.00 38.32 37.52 2wvy h ASN 290 CO -0.03 -0.23 -0.41 1.88 -1.29 0.00 0.00 177.43 177.34 2wvy h TYR 291 N -0.33 0.51 -0.86 1.19 0.05 -1.21 -3.20 116.97 113.12 2wvy h TYR 291 Ca 0.01 -0.24 0.01 0.00 0.05 0.00 0.00 58.73 58.56 2wvy h TYR 291 Cb 0.33 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 37.95 2wvy h TYR 291 CO -0.15 1.02 0.56 -0.07 -1.05 0.00 0.00 178.16 178.46 2wvy h LEU 292 N -0.14 1.00 0.00 3.88 3.38 -0.89 -2.79 115.31 119.75 2wvy h LEU 292 Ca -0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2wvy h LEU 292 Cb 1.09 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2wvy h LEU 292 CO 0.08 0.74 0.00 0.61 0.09 0.00 0.00 178.44 179.96 2wvy n GLY 293 N -1.31 -0.46 0.20 0.83 0.00 0.16 -2.18 105.19 102.43 2wvy n GLY 293 Ca 0.09 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.51 1.61 3.08 -1.53 -3.36 114.38 109.66 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 0.04 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 29.73 2wvy h ARG 294 CO 0.00 0.00 -0.82 0.54 -1.07 0.00 0.00 179.97 178.62 2wvy s VAL 295 N -3.53 1.40 -0.37 2.04 0.11 -0.93 -0.54 120.40 118.58 2wvy s VAL 295 Ca 0.01 -0.57 -0.13 0.00 -2.93 0.00 0.00 61.98 58.37 2wvy s VAL 295 Cb 0.09 -1.37 0.01 0.00 -1.53 0.00 0.00 36.38 33.58 2wvy s VAL 295 CO 0.41 0.39 0.24 -1.61 -3.33 0.00 0.00 175.10 171.20 2wvy s GLU 296 N 1.55 3.09 -0.13 1.54 2.02 0.31 -4.93 118.70 122.15 2wvy s GLU 296 Ca 0.04 -0.91 -0.15 0.00 0.02 0.00 0.00 54.97 53.97 2wvy s GLU 296 Cb -0.13 -3.81 -0.05 0.00 0.10 0.00 0.00 34.13 30.24 2wvy s GLU 296 CO -0.10 -0.62 0.36 0.00 0.02 0.00 0.00 175.26 174.92 2wvy s ALA 297 N 1.64 3.58 0.07 5.21 0.00 -1.26 -1.53 121.76 129.48 2wvy s ALA 297 Ca 0.04 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.67 2wvy s ALA 297 Cb -0.18 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 2wvy s ALA 297 CO 0.09 0.12 -0.06 -1.21 0.00 0.00 0.00 175.76 174.69 2wvy s GLU 298 N 0.30 0.69 -0.34 0.00 2.02 0.16 -4.96 118.70 116.58 2wvy s GLU 298 Ca 0.20 -1.11 -0.03 0.00 0.02 0.00 0.00 54.97 54.05 2wvy s GLU 298 Cb -0.14 -0.18 0.00 0.00 0.10 0.00 0.00 34.13 33.91 2wvy s GLU 298 CO 0.07 -0.01 0.35 0.41 0.02 0.00 0.00 175.26 176.11 2wvy n GLY 299 N 0.52 -0.88 3.70 -1.39 0.00 -1.26 -2.00 105.19 103.87 2wvy n GLY 299 Ca -0.16 0.33 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.29 -0.28 0.71 -0.02 0.00 -1.26 -1.40 107.32 102.78 2wvy s GLY 300 Ca 0.05 0.25 -0.11 0.00 0.00 0.00 0.00 44.72 44.91 2wvy s GLY 300 CO 0.40 0.06 1.07 -0.51 0.00 0.00 0.00 173.10 174.13 2wvy s THR 301 N -3.38 3.70 0.30 0.90 -4.23 -1.26 -4.84 115.64 106.83 2wvy s THR 301 Ca 0.10 0.59 0.04 0.00 -1.18 0.00 0.00 61.69 61.24 2wvy s THR 301 Cb -0.02 -3.20 0.30 0.00 1.34 0.00 0.00 72.50 70.92 2wvy s THR 301 CO -0.00 -0.69 1.82 0.44 -0.54 0.00 0.00 174.62 175.65 2wvy h ASP 302 N -0.73 0.83 -0.31 3.99 3.32 -2.02 -0.09 116.42 121.41 2wvy h ASP 302 Ca -0.44 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 2wvy h ASP 302 Cb 1.22 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 2wvy h ASP 302 CO 0.55 0.39 0.14 -0.08 -1.72 0.00 0.00 179.24 178.52 2wvy h GLU 303 N 0.86 0.45 -0.82 3.56 4.57 -1.99 0.13 114.58 121.34 2wvy h GLU 303 Ca 0.52 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.61 2wvy h GLU 303 Cb 0.68 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.15 2wvy h GLU 303 CO -0.29 0.43 0.46 1.96 -1.18 0.00 0.00 179.01 180.39 2wvy h GLN 304 N 0.36 1.14 -0.38 1.92 4.20 -1.78 -0.74 115.11 119.84 2wvy h GLN 304 Ca 0.11 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 2wvy h GLN 304 Cb 0.13 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2wvy h GLN 304 CO -0.01 0.83 0.07 -0.07 -0.67 0.00 0.00 178.83 178.98 2wvy h LEU 305 N 1.14 0.60 -0.74 1.46 3.38 -0.54 -0.07 115.31 120.53 2wvy h LEU 305 Ca 0.29 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2wvy h LEU 305 Cb 0.02 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2wvy h LEU 305 CO -0.05 0.71 0.44 0.03 0.09 0.00 0.00 178.44 179.66 2wvy h ARG 306 N 0.48 1.01 -0.12 1.13 3.08 -0.59 -0.44 114.38 118.93 2wvy h ARG 306 Ca 0.12 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2wvy h ARG 306 Cb 0.36 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2wvy h ARG 306 CO 0.01 0.72 0.04 1.15 -1.07 0.00 0.00 179.97 180.82 2wvy h THR 307 N 1.01 1.17 0.30 2.04 2.02 -0.95 -0.24 112.91 118.26 2wvy h THR 307 Ca 0.27 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 2wvy h THR 307 Cb -0.02 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2wvy h THR 307 CO -0.05 0.15 -0.28 0.15 0.37 0.00 0.00 175.52 175.86 2wvy h PHE 308 N 0.01 -0.76 0.00 3.16 3.57 -0.71 -1.48 116.94 120.74 2wvy h PHE 308 Ca 0.04 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.43 2wvy h PHE 308 Cb 0.20 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 2wvy h PHE 308 CO -0.01 -0.41 -0.55 1.88 -2.23 0.00 0.00 178.31 176.99 2wvy h TYR 309 N -0.61 0.00 -0.63 0.41 0.05 -1.10 -0.92 116.97 114.16 2wvy h TYR 309 Ca -0.01 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.68 2wvy h TYR 309 Cb 0.55 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.27 2wvy h TYR 309 CO -0.17 0.55 0.06 0.77 -1.05 0.00 0.00 178.16 178.32 2wvy h SER 310 N 0.00 1.04 -0.31 3.88 0.02 -0.90 -0.03 113.55 117.26 2wvy h SER 310 Ca -0.01 -0.27 -0.14 0.00 -0.84 0.00 0.00 61.79 60.54 2wvy h SER 310 Cb 0.99 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2wvy h SER 310 CO 0.07 1.06 -0.32 0.00 -1.14 0.00 0.00 176.83 176.50 2wvy h LEU 312 N 0.70 0.58 -0.49 0.00 5.85 -0.93 -1.22 115.31 119.81 2wvy h LEU 312 Ca 0.07 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.72 2wvy h LEU 312 Cb 0.88 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 2wvy h LEU 312 CO 0.08 0.56 0.16 0.22 -0.34 0.00 0.00 178.44 179.12 2wvy h TYR 313 N 0.56 0.28 -0.75 1.25 3.20 -0.89 -0.94 116.97 119.68 2wvy h TYR 313 Ca 0.15 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.08 2wvy h TYR 313 Cb 0.15 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 2wvy h TYR 313 CO -0.01 0.08 0.49 0.00 -1.64 0.00 0.00 178.16 177.09 2wvy h ARG 314 N 0.33 0.88 0.00 1.82 2.47 -1.12 -2.39 114.38 116.37 2wvy h ARG 314 Ca 0.23 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.84 2wvy h ARG 314 Cb 0.26 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 2wvy h ARG 314 CO -0.25 0.59 -0.31 1.15 0.56 0.00 0.00 179.97 181.71 2wvy h THR 315 N 0.91 0.76 -0.14 2.04 2.02 0.03 -3.07 112.91 115.45 2wvy h THR 315 Ca 0.30 -1.32 0.00 0.00 0.77 0.00 0.00 66.41 66.15 2wvy h THR 315 Cb 0.05 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 2wvy h THR 315 CO -0.08 0.30 0.00 0.18 0.37 0.00 0.00 175.52 176.29 2wvy n LEU 316 N -3.50 1.54 0.03 2.58 4.77 -0.66 -4.19 117.00 117.57 2wvy n LEU 316 Ca -0.00 -0.63 -0.21 0.00 -0.03 0.00 0.00 56.01 55.14 2wvy n LEU 316 Cb 0.46 -0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 41.33 2wvy n LEU 316 CO 0.35 0.31 -0.28 -0.07 -1.33 0.00 0.00 177.39 176.38 2wvy h LEU 317 N 2.08 0.44-10.22 2.23 3.38 -1.53 0.07 115.31 111.76 2wvy h LEU 317 Ca 0.00 -0.89 -0.59 0.00 0.09 0.00 0.00 57.88 56.49 2wvy h LEU 317 Cb 0.45 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 2wvy h LEU 317 CO 0.00 1.56 -0.37 -0.36 0.09 0.00 0.00 178.44 179.36 2wvy s PHE 318 N -2.47 1.90 0.20 1.13 0.08 -1.26 -3.88 117.98 113.68 2wvy s PHE 318 Ca -0.17 -0.79 -0.08 0.00 0.12 0.00 0.00 56.93 56.01 2wvy s PHE 318 Cb 0.03 -1.90 -0.06 0.00 -0.57 0.00 0.00 43.02 40.53 2wvy s PHE 318 CO 0.80 -0.24 -0.04 -0.35 -0.10 0.00 0.00 175.22 175.29 2wvy n PRO 319 N -1.59 0.00 -3.18 0.24 -0.04 -1.26 -4.97 135.00 124.20 2wvy n PRO 319 Ca -0.04 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.09 2wvy n PRO 319 Cb 0.65 -0.41 -0.06 0.00 -0.04 0.00 0.00 33.50 33.64 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 -0.41 4.03 0.34 0.54 1.70 -0.19 -4.72 118.95 120.24 2wvy s ARG 320 Ca 0.23 0.66 -0.29 0.00 -0.47 0.00 0.00 55.73 55.86 2wvy s ARG 320 Cb -0.21 -2.59 -0.11 0.00 -0.57 0.00 0.00 34.95 31.46 2wvy s ARG 320 CO 0.27 0.25 1.53 -1.21 -1.08 0.00 0.00 175.30 175.06 2wvy s GLU 321 N -2.66 4.12 -0.07 3.89 2.02 0.44 -1.97 118.70 124.46 2wvy s GLU 321 Ca 0.50 2.57 0.11 0.00 0.02 0.00 0.00 54.97 58.16 2wvy s GLU 321 Cb -0.12 -3.00 0.16 0.00 0.10 0.00 0.00 34.13 31.28 2wvy s GLU 321 CO 0.19 -0.57 1.06 0.34 0.02 0.00 0.00 175.26 176.29 2wvy n PHE 322 N 1.29 0.00 -4.01 1.61 7.35 0.21 -3.76 117.46 120.16 2wvy n PHE 322 Ca 0.04 -0.70 -0.22 0.00 -0.76 0.00 0.00 57.45 55.81 2wvy n PHE 322 Cb 0.38 -0.10 -0.05 0.00 0.35 0.00 0.00 39.48 40.06 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 -1.89 2.78 0.13 -5.13 -0.85 -1.25 -4.44 117.35 106.70 2wvy s TYR 323 Ca 0.18 -0.35 0.00 0.00 -0.52 0.00 0.00 57.07 56.38 2wvy s TYR 323 Cb 0.16 -1.68 -0.04 0.00 0.38 0.00 0.00 41.96 40.78 2wvy s TYR 323 CO 0.02 0.30 0.01 -1.21 -1.52 0.00 0.00 175.55 173.15 2wvy s GLU 324 N -3.89 0.91 -0.21 -3.49 2.02 0.15 -4.94 118.70 109.25 2wvy s GLU 324 Ca 0.38 -1.42 -0.06 0.00 0.02 0.00 0.00 54.97 53.90 2wvy s GLU 324 Cb -0.04 0.05 -0.02 0.00 0.10 0.00 0.00 34.13 34.22 2wvy s GLU 324 CO 0.24 -0.17 0.01 -0.06 0.02 0.00 0.00 175.26 175.30 2wvy s PHE 325 N -3.87 3.05 0.27 1.61 0.08 -1.26 0.22 117.98 118.08 2wvy s PHE 325 Ca 0.20 -0.48 -0.05 0.00 0.12 0.00 0.00 56.93 56.72 2wvy s PHE 325 Cb 0.07 -2.12 0.07 0.00 -0.57 0.00 0.00 43.02 40.46 2wvy s PHE 325 CO -0.00 -0.29 0.32 -0.40 -0.10 0.00 0.00 175.22 174.75 2wvy n ASP 326 N 4.44 -0.47 0.28 1.36 5.68 -0.57 -4.73 116.55 122.54 2wvy n ASP 326 Ca -0.17 -0.95 0.14 0.00 -0.50 0.00 0.00 54.79 53.30 2wvy n ASP 326 Cb 0.52 -0.26 0.80 0.00 -1.14 0.00 0.00 41.12 41.04 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 -0.82 0.00 0.15 -1.12 4.64 -1.99 0.93 113.55 115.34 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 0.07 0.07 -0.09 0.00 -0.87 0.00 0.00 176.83 176.02 2wvy n GLN 328 N -3.73 1.12 -0.87 4.77 3.00 -1.26 -4.93 117.38 115.48 2wvy n GLN 328 Ca -0.02 -0.52 0.00 0.00 -0.01 0.00 0.00 57.00 56.45 2wvy n GLN 328 Cb 0.17 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.92 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 1.22 0.54 3.86 1.08 0.00 0.32 -5.05 105.19 107.15 2wvy n GLY 329 Ca 0.17 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.23 6.65 0.08 1.61 0.01 -1.26 -4.70 114.94 115.10 2wvy s ASN 330 Ca 0.00 0.79 -0.31 0.00 -0.71 0.00 0.00 52.86 52.63 2wvy s ASN 330 Cb 0.00 -2.18 -0.07 0.00 0.41 0.00 0.00 41.25 39.41 2wvy s ASN 330 CO 0.00 0.24 1.41 -2.16 -1.51 0.00 0.00 177.10 175.08 2wvy s PRO 331 N -1.60 4.30 0.20 -0.60 0.04 -1.26 -1.52 135.00 134.57 2wvy s PRO 331 Ca 0.28 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.39 2wvy s PRO 331 Cb -0.14 -3.37 -0.05 0.00 0.04 0.00 0.00 34.50 30.98 2wvy s PRO 331 CO 0.15 -0.49 0.04 0.14 0.04 0.00 0.00 177.00 176.89 2wvy s VAL 332 N 1.57 0.57 -0.14 -0.36 -7.23 0.13 -1.47 120.40 113.48 2wvy s VAL 332 Ca 0.65 -1.98 -0.24 0.00 -1.81 0.00 0.00 61.98 58.59 2wvy s VAL 332 Cb -0.35 -2.30 0.06 0.00 0.56 0.00 0.00 36.38 34.35 2wvy s VAL 332 CO 0.29 -0.30 0.61 -0.72 -0.31 0.00 0.00 175.10 174.67 2wvy s TYR 333 N -3.73 -0.62 -0.22 2.82 -0.85 -0.03 0.32 117.35 115.04 2wvy s TYR 333 Ca 0.29 1.30 -0.29 0.00 -0.52 0.00 0.00 57.07 57.85 2wvy s TYR 333 Cb 0.07 0.28 -0.02 0.00 0.38 0.00 0.00 41.96 42.67 2wvy s TYR 333 CO 0.07 -0.44 1.48 -0.47 -1.52 0.00 0.00 175.55 174.67 2wvy s TYR 334 N -0.44 2.36 -0.15 -3.49 5.04 -1.26 -0.82 117.35 118.59 2wvy s TYR 334 Ca -0.06 0.67 -0.29 0.00 -2.44 0.00 0.00 57.07 54.95 2wvy s TYR 334 Cb -0.03 -3.88 -0.02 0.00 0.35 0.00 0.00 41.96 38.38 2wvy s TYR 334 CO 0.05 -2.51 1.31 0.45 -1.34 0.00 0.00 175.55 173.50 2wvy s SER 335 N 3.40 6.91 0.00 4.32 0.15 0.30 -4.87 113.70 123.91 2wvy s SER 335 Ca 0.65 1.75 0.08 0.00 0.70 0.00 0.00 55.95 59.13 2wvy s SER 335 Cb -0.23 -2.54 0.48 0.00 -1.71 0.00 0.00 66.02 62.02 2wvy s SER 335 CO 0.25 -0.78 1.20 -0.81 1.20 0.00 0.00 173.24 174.30 2wvy n PRO 336 N 6.65 0.87 -0.09 5.44 -0.04 -1.26 -0.70 135.00 145.86 2wvy n PRO 336 Ca 0.14 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 2wvy n PRO 336 Cb 0.45 -1.15 -0.11 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.65 0.00 -0.40 0.54 4.01 -1.26 -4.22 117.16 115.18 2wvy n TYR 337 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 2wvy n TYR 337 Cb 0.03 -0.81 0.00 0.00 -0.31 0.00 0.00 39.34 38.25 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 -2.89 0.52 0.00 7.72 5.68 -1.23 -4.78 116.55 121.57 2wvy n ASP 338 Ca -0.32 -0.94 0.00 0.00 -0.50 0.00 0.00 54.79 53.03 2wvy n ASP 338 Cb 0.96 0.05 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 0.05 0.48 3.99 6.12 0.00 0.12 -5.01 105.19 110.93 2wvy n GLY 339 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.26 5.44 -0.17 1.61 0.02 -1.26 -4.79 114.94 113.53 2wvy s ASN 340 Ca 0.00 -0.19 -0.10 0.00 -1.02 0.00 0.00 52.86 51.55 2wvy s ASN 340 Cb 0.00 -0.78 -0.05 0.00 0.02 0.00 0.00 41.25 40.44 2wvy s ASN 340 CO 0.00 -0.97 0.17 -0.69 0.02 0.00 0.00 177.10 175.63 2wvy s VAL 341 N -2.58 5.40 0.22 1.60 1.01 -1.26 -0.54 120.40 124.25 2wvy s VAL 341 Ca 0.56 0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.89 2wvy s VAL 341 Cb -0.10 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 2wvy s VAL 341 CO 0.36 0.47 -0.12 -1.00 0.00 0.00 0.00 175.10 174.81 2wvy s HIS 342 N 0.09 1.76 0.21 5.22 0.09 0.00 -4.93 115.29 117.73 2wvy s HIS 342 Ca 0.11 -0.62 -0.24 0.00 -0.00 0.00 0.00 55.06 54.32 2wvy s HIS 342 Cb -0.12 -0.87 -0.08 0.00 -0.00 0.00 0.00 32.58 31.51 2wvy s HIS 342 CO 0.01 0.32 0.79 -0.51 -0.00 0.00 0.00 174.74 175.35 2wvy s ASP 343 N -3.34 7.28 0.00 1.40 1.01 -1.26 -0.85 116.67 120.90 2wvy s ASP 343 Ca 0.24 1.62 0.00 0.00 0.71 0.00 0.00 52.55 55.12 2wvy s ASP 343 Cb 0.01 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.44 2wvy s ASP 343 CO 0.08 0.10 0.00 0.61 0.21 0.00 0.00 175.17 176.17 2wvy n GLY 344 N 1.12 0.21 3.45 0.21 0.00 -0.54 -4.91 105.19 104.72 2wvy n GLY 344 Ca -0.03 -1.97 -0.27 0.00 0.00 0.00 0.00 46.02 43.74 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 2.37 -0.11 1.61 2.02 -1.26 -3.94 117.35 118.04 2wvy s TYR 345 Ca 0.00 -0.33 -0.16 0.00 -0.37 0.00 0.00 57.07 56.20 2wvy s TYR 345 Cb 0.00 -1.19 0.04 0.00 -0.40 0.00 0.00 41.96 40.41 2wvy s TYR 345 CO 0.00 0.48 0.42 1.41 -1.57 0.00 0.00 175.55 176.29 2wvy s MET 346 N -2.61 0.61 0.16 -0.62 -2.45 -1.26 -4.45 119.30 108.68 2wvy s MET 346 Ca 0.21 0.34 0.03 0.00 -1.25 0.00 0.00 55.69 55.02 2wvy s MET 346 Cb -0.08 0.29 -0.05 0.00 1.25 0.00 0.00 34.83 36.24 2wvy s MET 346 CO 0.10 -0.12 -0.05 0.71 1.05 0.00 0.00 175.02 176.71 2wvy s TYR 347 N -0.36 1.22 0.20 4.11 2.02 -1.26 -0.62 117.35 122.67 2wvy s TYR 347 Ca -0.05 -0.88 -0.11 0.00 -0.37 0.00 0.00 57.07 55.66 2wvy s TYR 347 Cb -0.03 -0.67 0.04 0.00 -0.40 0.00 0.00 41.96 40.90 2wvy s TYR 347 CO 0.03 -0.05 0.58 -2.37 -1.57 0.00 0.00 175.55 172.16 2wvy n THR 348 N -0.21 0.00 -2.62 -0.71 5.66 -0.83 -4.87 114.28 110.69 2wvy n THR 348 Ca -0.09 -0.53 -0.09 0.00 -3.05 0.00 0.00 64.05 60.28 2wvy n THR 348 Cb 0.62 0.59 0.04 0.00 -1.55 0.00 0.00 70.33 70.03 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 -1.23 -4.42 -3.71 1.09 8.00 -0.55 -1.02 116.55 114.72 2wvy n ASP 349 Ca -0.04 -0.43 -0.12 0.00 0.71 0.00 0.00 54.79 54.92 2wvy n ASP 349 Cb 0.38 -3.38 -0.10 0.00 -0.02 0.00 0.00 41.12 38.00 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 -3.33 -0.51 -0.32 -2.24 3.04 -0.98 -4.32 114.94 106.28 2wvy s ASN 350 Ca 0.24 0.94 -0.10 0.00 0.04 0.00 0.00 52.86 53.98 2wvy s ASN 350 Cb -0.03 0.89 0.00 0.00 -1.54 0.00 0.00 41.25 40.57 2wvy s ASN 350 CO 0.45 -0.18 0.16 -0.83 -3.04 0.00 0.00 177.10 173.66 2wvy s GLY 351 N 0.75 1.87 0.53 1.21 0.00 -1.26 -1.34 107.32 109.09 2wvy s GLY 351 Ca -0.04 -1.47 0.19 0.00 0.00 0.00 0.00 44.72 43.40 2wvy s GLY 351 CO -0.06 0.72 2.17 0.74 0.00 0.00 0.00 173.10 176.68 2wvy h PHE 352 N 8.36 0.00 -0.59 1.90 0.04 -1.10 -0.27 116.94 125.28 2wvy h PHE 352 Ca -0.31 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.57 2wvy h PHE 352 Cb 1.13 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.25 2wvy h PHE 352 CO 0.62 0.01 0.40 2.35 -0.60 0.00 0.00 178.31 181.09 2wvy h TRP 353 N 0.00 0.37 0.00 -0.55 7.01 -1.82 -0.64 115.95 120.32 2wvy h TRP 353 Ca -0.00 0.01 -0.13 0.00 2.11 0.00 0.00 58.89 60.88 2wvy h TRP 353 Cb 0.01 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 2wvy h TRP 353 CO 0.00 0.17 -0.73 0.22 -2.79 0.00 0.00 178.44 175.31 2wvy h ASP 354 N 0.34 0.00 0.67 2.65 1.82 -1.48 -3.42 116.42 117.00 2wvy h ASP 354 Ca 0.28 -0.71 0.00 0.00 -0.39 0.00 0.00 57.03 56.20 2wvy h ASP 354 Cb 0.63 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.64 2wvy h ASP 354 CO -0.07 1.29 -0.31 0.35 -1.61 0.00 0.00 179.24 178.88 2wvy n THR 355 N -4.51 0.00 0.22 2.25 -2.24 -0.51 -3.64 114.28 105.85 2wvy n THR 355 Ca -0.23 -0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.63 2wvy n THR 355 Cb 0.60 -0.02 0.53 0.00 -2.10 0.00 0.00 70.33 69.34 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 0.03 0.00 -0.37 4.78 -5.15 -1.37 -2.19 116.94 112.66 2wvy h PHE 356 Ca 0.00 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.64 2wvy h PHE 356 Cb 0.50 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.66 2wvy h PHE 356 CO 0.00 0.23 -0.29 0.00 -2.00 0.00 0.00 178.31 176.26 2wvy h ARG 357 N 0.00 0.85 0.00 6.09 3.08 -1.81 -3.41 114.38 119.18 2wvy h ARG 357 Ca -0.00 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2wvy h ARG 357 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2wvy h ARG 357 CO 0.03 1.06 0.00 0.00 -1.07 0.00 0.00 179.97 179.99 2wvy n ALA 358 N -2.51 0.92 0.11 0.04 0.00 -1.24 -4.77 120.51 113.05 2wvy n ALA 358 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 2wvy n ALA 358 Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.86 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 0.89 -0.13 0.00 2.07 -1.80 -1.44 116.25 115.84 2wvy h VAL 359 Ca 0.00 -0.22 -0.18 0.00 0.82 0.00 0.00 66.70 67.12 2wvy h VAL 359 Cb 0.00 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2wvy h VAL 359 CO 0.00 0.05 -0.66 0.45 0.02 0.00 0.00 177.57 177.43 2wvy h HIS 360 N -0.32 0.68 -0.93 1.57 3.86 -1.66 -2.39 115.15 115.97 2wvy h HIS 360 Ca -0.02 -0.28 0.07 0.00 -1.16 0.00 0.00 60.37 58.98 2wvy h HIS 360 Cb 0.25 -0.11 -0.07 0.00 1.06 0.00 0.00 27.41 28.54 2wvy h HIS 360 CO -0.04 1.03 0.59 -1.35 0.86 0.00 0.00 177.93 179.02 2wvy h PRO 361 N 0.37 1.03 -0.72 2.45 0.11 -1.78 0.16 132.00 133.62 2wvy h PRO 361 Ca -0.02 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.06 2wvy h PRO 361 Cb 1.23 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 2wvy h PRO 361 CO 0.12 0.68 0.46 1.25 -0.21 0.00 0.00 178.00 180.30 2wvy h LEU 362 N 1.06 0.76 -0.44 2.35 5.85 -1.00 -2.15 115.31 121.73 2wvy h LEU 362 Ca 0.41 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.11 2wvy h LEU 362 Cb 0.19 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2wvy h LEU 362 CO -0.18 0.53 0.24 -0.26 -0.34 0.00 0.00 178.44 178.43 2wvy h PHE 363 N 0.90 0.61 -0.28 1.25 0.04 -0.73 -0.17 116.94 118.55 2wvy h PHE 363 Ca 0.28 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 61.12 2wvy h PHE 363 Cb -0.01 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 37.93 2wvy h PHE 363 CO -0.04 0.46 0.22 1.79 -0.60 0.00 0.00 178.31 180.15 2wvy h THR 364 N 0.58 0.74 0.00 -1.55 1.35 -0.12 0.66 112.91 114.56 2wvy h THR 364 Ca 0.16 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.94 2wvy h THR 364 Cb 0.05 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 67.30 2wvy h THR 364 CO -0.02 0.00 -0.71 0.25 -0.25 0.00 0.00 175.52 174.79 2wvy h LEU 365 N 0.00 0.00 0.00 3.87 5.85 -0.83 -3.39 115.31 120.80 2wvy h LEU 365 Ca 0.13 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 2wvy h LEU 365 Cb 0.58 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2wvy h LEU 365 CO -0.00 1.00 -1.95 0.18 -0.34 0.00 0.00 178.44 177.32 2wvy n LEU 366 N -4.57 0.10 -2.84 2.25 4.77 -0.13 -4.57 117.00 112.01 2wvy n LEU 366 Ca -0.15 0.04 -0.17 0.00 -0.03 0.00 0.00 56.01 55.69 2wvy n LEU 366 Cb 0.40 0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2wvy n LEU 366 CO 0.14 0.05 -0.07 -1.22 -1.33 0.00 0.00 177.39 174.96 2wvy n TYR 367 N -2.38 1.59 0.30 -1.77 4.01 0.12 -4.93 117.16 114.11 2wvy n TYR 367 Ca -0.08 -3.33 0.16 0.00 -0.16 0.00 0.00 57.90 54.49 2wvy n TYR 367 Cb 0.65 -0.36 0.73 0.00 -0.31 0.00 0.00 39.34 40.05 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 2.93 0.00 0.00 -0.72 0.13 -1.48 -0.81 132.00 132.05 2wvy h PRO 368 Ca 0.06 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.14 2wvy h PRO 368 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 2wvy h PRO 368 CO 0.60 0.00 -0.22 1.05 -0.23 0.00 0.00 178.00 179.20 2wvy h GLU 369 N 0.00 0.00 -0.03 0.86 9.09 -1.92 -0.99 114.58 121.58 2wvy h GLU 369 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.37 2wvy h GLU 369 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 2wvy h GLU 369 CO 0.00 0.22 -0.14 0.28 0.05 0.00 0.00 179.01 179.42 2wvy h VAL 370 N 0.00 1.48 -0.47 -1.06 2.07 -1.48 -3.17 116.25 113.61 2wvy h VAL 370 Ca -0.00 -1.61 0.05 0.00 0.82 0.00 0.00 66.70 65.96 2wvy h VAL 370 Cb 0.57 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 2wvy h VAL 370 CO 0.03 0.44 0.31 0.28 0.02 0.00 0.00 177.57 178.65 2wvy h SER 371 N -0.43 0.37 -0.46 0.57 0.02 -1.47 0.67 113.55 112.82 2wvy h SER 371 Ca -0.01 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.01 2wvy h SER 371 Cb 0.79 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.19 2wvy h SER 371 CO 0.03 0.25 0.12 -0.33 -1.14 0.00 0.00 176.83 175.76 2wvy h GLU 372 N 0.43 0.26 0.12 3.45 5.08 -1.20 -1.11 114.58 121.60 2wvy h GLU 372 Ca 0.20 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.27 2wvy h GLU 372 Cb 0.25 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2wvy h GLU 372 CO -0.05 0.17 -1.22 0.00 -1.00 0.00 0.00 179.01 176.91 2wvy h ARG 373 N 0.27 0.26 -0.06 2.33 3.08 -1.29 -3.15 114.38 115.82 2wvy h ARG 373 Ca 0.23 -0.44 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 2wvy h ARG 373 Cb 0.27 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 2wvy h ARG 373 CO -0.27 1.21 0.03 0.28 -1.07 0.00 0.00 179.97 180.15 2wvy h VAL 374 N 0.07 1.08 -0.37 2.04 2.07 -0.75 -0.64 116.25 119.74 2wvy h VAL 374 Ca -0.13 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.19 2wvy h VAL 374 Cb 1.95 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 2wvy h VAL 374 CO 0.20 0.07 0.19 0.71 0.02 0.00 0.00 177.57 178.76 2wvy h THR 375 N 0.01 0.99 -0.53 2.57 1.35 -1.32 -1.04 112.91 114.94 2wvy h THR 375 Ca 0.02 -0.14 0.10 0.00 -0.55 0.00 0.00 66.41 65.85 2wvy h THR 375 Cb 0.08 0.56 -0.08 0.00 -1.73 0.00 0.00 68.15 66.98 2wvy h THR 375 CO -0.00 0.07 0.07 1.56 -0.25 0.00 0.00 175.52 176.97 2wvy h GLN 376 N 0.39 0.19 0.00 4.72 4.20 -1.49 -2.27 115.11 120.85 2wvy h GLN 376 Ca 0.16 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 2wvy h GLN 376 Cb 0.06 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2wvy h GLN 376 CO -0.10 0.12 -0.21 0.77 -0.67 0.00 0.00 178.83 178.74 2wvy h SER 377 N 0.19 0.00 -0.24 1.46 0.02 0.01 -0.26 113.55 114.74 2wvy h SER 377 Ca 0.27 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 2wvy h SER 377 Cb 0.40 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2wvy h SER 377 CO -0.39 0.21 0.08 0.40 -1.14 0.00 0.00 176.83 175.99 2wvy h ILE 378 N 0.00 1.19 -0.49 3.27 2.04 -0.64 -1.29 117.51 121.58 2wvy h ILE 378 Ca -0.00 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 2wvy h ILE 378 Cb 0.39 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 2wvy h ILE 378 CO 0.03 0.19 0.08 0.40 0.00 0.00 0.00 178.15 178.85 2wvy h ILE 379 N 0.22 1.22 -0.41 -0.67 1.08 -1.18 -1.62 117.51 116.14 2wvy h ILE 379 Ca 0.08 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.70 2wvy h ILE 379 Cb 0.22 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 34.72 2wvy h ILE 379 CO -0.00 0.31 0.27 0.78 -0.69 0.00 0.00 178.15 178.82 2wvy h ASN 380 N 0.73 0.48 -0.80 1.72 2.35 -0.81 0.21 115.58 119.46 2wvy h ASN 380 Ca 0.16 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 2wvy h ASN 380 Cb 0.34 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 2wvy h ASN 380 CO 0.01 0.35 0.44 0.00 -1.65 0.00 0.00 177.43 176.58 2wvy h ALA 381 N 1.15 1.03 -0.40 -0.83 0.00 -0.97 0.11 119.26 119.34 2wvy h ALA 381 Ca 0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2wvy h ALA 381 Cb -0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 2wvy h ALA 381 CO -0.03 0.54 0.24 -0.92 0.00 0.00 0.00 179.25 179.08 2wvy h TYR 382 N 1.11 0.52 -0.24 0.00 3.20 -0.90 0.70 116.97 121.36 2wvy h TYR 382 Ca 0.28 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 2wvy h TYR 382 Cb 0.03 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 2wvy h TYR 382 CO 0.00 0.37 -0.02 -0.91 -1.64 0.00 0.00 178.16 175.96 2wvy h ASN 383 N 0.52 0.33 0.99 -2.11 2.35 -0.04 0.46 115.58 118.08 2wvy h ASN 383 Ca 0.14 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2wvy h ASN 383 Cb -0.00 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2wvy h ASN 383 CO -0.03 0.40 -0.51 -0.33 -1.65 0.00 0.00 177.43 175.31 2wvy h GLU 384 N 0.35 0.00 0.00 0.81 5.08 -0.18 -3.40 114.58 117.23 2wvy h GLU 384 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2wvy h GLU 384 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2wvy h GLU 384 CO 0.01 0.00 -0.08 -1.13 -1.00 0.00 0.00 179.01 176.81 2wvy n SER 385 N -2.16 0.39 0.00 1.42 3.41 0.18 -4.38 113.62 112.47 2wvy n SER 385 Ca 0.04 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2wvy n SER 385 Cb 0.44 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 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 0.28 1.89 3.05 5.00 0.00 0.14 -5.03 105.19 110.51 2wvy n GLY 386 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.55 0.45 1.61 0.08 -1.25 -4.98 117.98 112.05 2wvy s PHE 387 Ca 0.00 -0.60 -0.22 0.00 0.12 0.00 0.00 56.93 56.23 2wvy s PHE 387 Cb 0.00 -0.35 -0.09 0.00 -0.57 0.00 0.00 43.02 42.02 2wvy s PHE 387 CO 0.00 -0.15 1.05 -1.64 -0.10 0.00 0.00 175.22 174.38 2wvy s MET 388 N -2.00 3.92 0.59 0.44 -1.94 -1.26 -3.20 119.30 115.85 2wvy s MET 388 Ca -0.08 1.45 -0.16 0.00 -1.71 0.00 0.00 55.69 55.18 2wvy s MET 388 Cb -0.07 -2.27 -0.04 0.00 2.01 0.00 0.00 34.83 34.46 2wvy s MET 388 CO -0.02 -0.34 1.06 -1.25 -0.01 0.00 0.00 175.02 174.46 2wvy s PRO 389 N -2.94 3.35 0.10 2.03 0.04 -1.26 -4.65 135.00 131.67 2wvy s PRO 389 Ca 0.64 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.90 2wvy s PRO 389 Cb -0.19 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2wvy s PRO 389 CO 0.24 -0.79 0.00 0.39 0.04 0.00 0.00 177.00 176.88 2wvy n GLU 390 N -1.94 0.00 -4.19 4.56 -0.58 -1.26 -4.52 120.64 112.70 2wvy n GLU 390 Ca 0.09 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.49 2wvy n GLU 390 Cb 0.53 -0.46 -0.12 0.00 -0.57 0.00 0.00 31.44 30.82 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 -1.94 3.08 -0.05 -0.32 -0.00 -1.26 -0.42 118.94 118.03 2wvy s TRP 391 Ca 0.00 -0.27 0.03 0.00 -0.00 0.00 0.00 56.10 55.85 2wvy s TRP 391 Cb 0.00 -2.03 0.01 0.00 -0.00 0.00 0.00 33.47 31.44 2wvy s TRP 391 CO 0.00 -0.07 -0.11 0.00 -0.00 0.00 0.00 176.95 176.77 2wvy s ALA 392 N 0.61 1.12 -0.30 5.86 0.00 -0.45 -1.69 121.76 126.92 2wvy s ALA 392 Ca -0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 51.96 51.45 2wvy s ALA 392 Cb -0.14 -0.47 0.18 0.00 0.00 0.00 0.00 23.12 22.69 2wvy s ALA 392 CO 0.02 0.13 1.01 0.45 0.00 0.00 0.00 175.76 177.37 2wvy s SER 393 N 0.45 -0.55 0.34 0.00 0.15 -1.26 -1.47 113.70 111.36 2wvy s SER 393 Ca -0.09 0.29 0.17 0.00 0.70 0.00 0.00 55.95 57.01 2wvy s SER 393 Cb -0.13 1.44 1.18 0.00 -1.71 0.00 0.00 66.02 66.80 2wvy s SER 393 CO 0.02 -0.10 1.51 -0.81 1.20 0.00 0.00 173.24 175.06 2wvy n PRO 394 N 5.41 -0.06 0.00 5.44 -0.04 -1.26 -4.55 135.00 139.94 2wvy n PRO 394 Ca -0.04 1.34 0.00 0.00 -0.04 0.00 0.00 63.50 64.77 2wvy n PRO 394 Cb 0.54 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 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 -1.29 2.18 3.72 0.55 0.00 0.50 -4.66 105.19 106.19 2wvy n GLY 395 Ca 0.34 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 2wvy n GLY 395 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wvy s HIS 396 N 2.03 2.95 -0.02 1.61 3.76 -1.26 -4.23 115.29 120.12 2wvy s HIS 396 Ca 0.00 0.43 0.05 0.00 -0.15 0.00 0.00 55.06 55.39 2wvy s HIS 396 Cb 0.00 -4.08 -0.01 0.00 1.11 0.00 0.00 32.58 29.60 2wvy s HIS 396 CO 0.00 -4.06 -0.17 1.03 -0.85 0.00 0.00 174.74 170.69 2wvy s ARG 397 N 1.14 1.50 -0.74 1.40 1.81 -0.68 -4.10 118.95 119.29 2wvy s ARG 397 Ca 0.73 -0.60 -0.26 0.00 -1.72 0.00 0.00 55.73 53.88 2wvy s ARG 397 Cb -0.48 -1.40 0.01 0.00 -0.45 0.00 0.00 34.95 32.63 2wvy s ARG 397 CO 0.32 0.32 1.58 0.20 -0.68 0.00 0.00 175.30 177.05 2wvy s GLY 398 N -0.25 0.59 -0.26 -3.53 0.00 -1.26 -4.42 107.32 98.19 2wvy s GLY 398 Ca 0.03 -1.20 -0.14 0.00 0.00 0.00 0.00 44.72 43.41 2wvy s GLY 398 CO 0.00 3.03 0.63 0.00 0.00 0.00 0.00 173.10 176.75 2wvy n MET 400 N 4.41 0.00 -4.07 0.00 2.81 -1.26 -4.51 117.12 114.50 2wvy n MET 400 Ca -0.20 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.56 2wvy n MET 400 Cb 0.57 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 33.03 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 -4.59 121.20 113.00 2wvy s ILE 401 Ca 0.00 -1.59 0.00 0.00 -0.26 0.00 0.00 60.65 58.80 2wvy s ILE 401 Cb 0.00 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.21 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 -0.48 0.31 2.52 6.27 0.00 -1.26 -4.64 105.19 107.92 2wvy n GLY 402 Ca 0.00 -1.90 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.54 4.17 0.00 1.61 3.02 -1.26 -4.87 115.26 117.40 2wvy n ASN 403 Ca 0.00 -3.56 0.14 0.00 -0.03 0.00 0.00 54.58 51.13 2wvy n ASN 403 Cb 0.00 -0.48 0.70 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.40 0.00 -0.20 6.41 5.03 -1.26 -1.83 115.26 123.00 2wvy n ASN 404 Ca 0.34 -0.06 0.09 0.00 0.87 0.00 0.00 54.58 55.81 2wvy n ASN 404 Cb 0.68 -0.30 0.38 0.00 -1.02 0.00 0.00 39.78 39.51 2wvy n ASN 404 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 2wvy h SER 405 N 0.00 0.63 -0.32 6.41 4.64 -1.89 -2.04 113.55 120.98 2wvy h SER 405 Ca 0.00 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2wvy h SER 405 Cb 0.28 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 2wvy h SER 405 CO 0.00 0.38 0.20 0.58 -0.87 0.00 0.00 176.83 177.12 2wvy h VAL 406 N 0.70 1.06 -0.72 0.95 2.07 -1.74 -2.69 116.25 115.88 2wvy h VAL 406 Ca 0.35 -0.14 0.13 0.00 0.82 0.00 0.00 66.70 67.86 2wvy h VAL 406 Cb 0.43 0.62 -0.09 0.00 -1.52 0.00 0.00 31.29 30.72 2wvy h VAL 406 CO -0.13 0.07 0.27 -1.28 0.02 0.00 0.00 177.57 176.53 2wvy h SER 407 N 0.40 0.25 -0.15 0.57 0.87 -1.52 -0.53 113.55 113.45 2wvy h SER 407 Ca 0.12 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2wvy h SER 407 Cb -0.02 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2wvy h SER 407 CO -0.04 0.10 0.09 -0.07 -0.53 0.00 0.00 176.83 176.38 2wvy h LEU 408 N 0.43 0.17 -0.21 2.23 4.07 -1.28 0.15 115.31 120.87 2wvy h LEU 408 Ca 0.39 -0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.32 2wvy h LEU 408 Cb 0.57 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 2wvy h LEU 408 CO -0.39 0.15 0.13 -0.07 -1.08 0.00 0.00 178.44 177.18 2wvy h LEU 409 N 0.18 0.21 -0.03 1.67 3.38 -1.19 -2.52 115.31 117.02 2wvy h LEU 409 Ca 0.05 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 2wvy h LEU 409 Cb 0.01 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.73 2wvy h LEU 409 CO -0.01 0.16 -0.65 0.58 0.09 0.00 0.00 178.44 178.61 2wvy h VAL 410 N 0.27 1.39 -0.45 1.22 2.07 -0.96 -1.29 116.25 118.49 2wvy h VAL 410 Ca 0.08 -2.04 0.06 0.00 0.82 0.00 0.00 66.70 65.61 2wvy h VAL 410 Cb -0.02 2.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 2wvy h VAL 410 CO -0.03 0.61 0.17 -0.78 0.02 0.00 0.00 177.57 177.55 2wvy h ASP 411 N 0.04 0.18 -0.45 0.57 3.58 -0.77 -1.11 116.42 118.46 2wvy h ASP 411 Ca -0.07 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 2wvy h ASP 411 Cb 1.34 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.40 2wvy h ASP 411 CO 0.13 0.14 0.22 0.00 -2.88 0.00 0.00 179.24 176.84 2wvy h ALA 412 N 1.29 0.58 -0.36 -0.78 0.00 -1.41 -2.89 119.26 115.70 2wvy h ALA 412 Ca 0.21 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2wvy h ALA 412 Cb 0.20 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2wvy h ALA 412 CO -0.21 0.15 0.08 2.35 0.00 0.00 0.00 179.25 181.62 2wvy h TRP 413 N 0.59 0.14 0.00 0.00 2.91 -0.63 -0.69 115.95 118.28 2wvy h TRP 413 Ca 0.16 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.20 2wvy h TRP 413 Cb 0.12 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 28.76 2wvy h TRP 413 CO -0.01 0.03 0.00 -1.33 -1.03 0.00 0.00 178.44 176.11 2wvy n MET 414 N -5.08 0.05 -0.42 2.65 0.00 -0.48 -1.21 117.12 112.64 2wvy n MET 414 Ca 0.01 0.25 0.12 0.00 0.00 0.00 0.00 57.70 58.08 2wvy n MET 414 Cb 0.15 -1.58 0.33 0.00 0.00 0.00 0.00 33.22 32.13 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 -1.67 2.88 -0.70 0.03 5.02 -0.46 -4.78 118.16 118.48 2wvy n LYS 415 Ca 0.04 -2.71 0.00 0.00 -2.02 0.00 0.00 58.31 53.61 2wvy n LYS 415 Cb 0.21 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 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 1.61 0.77 3.45 0.72 0.00 -0.35 -5.00 105.19 106.39 2wvy n GLY 416 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.87 4.58 -0.46 -0.61 1.01 -0.39 -4.94 121.20 117.53 2wvy s ILE 417 Ca 0.00 -0.39 0.07 0.00 0.00 0.00 0.00 60.65 60.32 2wvy s ILE 417 Cb 0.00 -4.51 0.23 0.00 0.01 0.00 0.00 42.46 38.19 2wvy s ILE 417 CO 0.00 -1.15 0.53 0.00 0.00 0.00 0.00 174.94 174.33 2wvy n GLN 418 N 6.97 1.04 0.01 2.79 6.02 -1.26 -3.18 117.38 129.76 2wvy n GLN 418 Ca -0.05 -3.56 0.11 0.00 -0.01 0.00 0.00 57.00 53.49 2wvy n GLN 418 Cb 0.45 -1.54 -0.10 0.00 1.02 0.00 0.00 30.24 30.07 2wvy n GLN 418 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2wvy n THR 419 N 1.56 0.09 -3.14 5.09 -2.24 -1.26 -4.93 114.28 109.44 2wvy n THR 419 Ca 0.24 -0.34 -0.27 0.00 -2.27 0.00 0.00 64.05 61.41 2wvy n THR 419 Cb 0.49 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 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 -3.32 4.99 0.11 2.28 -7.23 -1.26 -4.94 120.40 111.03 2wvy s VAL 420 Ca -0.01 0.03 -0.30 0.00 -1.81 0.00 0.00 61.98 59.88 2wvy s VAL 420 Cb 0.14 -3.79 -0.07 0.00 0.56 0.00 0.00 36.38 33.22 2wvy s VAL 420 CO 0.87 -0.51 1.24 -0.62 -0.31 0.00 0.00 175.10 175.76 2wvy s ASP 421 N -3.57 7.02 0.09 4.85 2.15 -1.26 -4.96 116.67 120.99 2wvy s ASP 421 Ca 0.45 2.16 -0.24 0.00 0.43 0.00 0.00 52.55 55.34 2wvy s ASP 421 Cb -0.10 -2.59 -0.15 0.00 -0.30 0.00 0.00 42.92 39.77 2wvy s ASP 421 CO 0.35 -0.48 1.72 0.00 -0.17 0.00 0.00 175.17 176.59 2wvy h ALA 422 N 6.27 -0.08 -0.64 3.66 0.00 -1.97 -0.61 119.26 125.90 2wvy h ALA 422 Ca -0.43 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2wvy h ALA 422 Cb 1.21 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2wvy h ALA 422 CO 0.80 -0.54 0.38 0.93 0.00 0.00 0.00 179.25 180.82 2wvy h GLU 423 N -0.09 0.87 -0.50 0.00 4.39 -1.99 -0.31 114.58 116.96 2wvy h GLU 423 Ca -0.01 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 2wvy h GLU 423 Cb 0.07 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 2wvy h GLU 423 CO 0.01 0.63 0.18 -0.22 -1.16 0.00 0.00 179.01 178.45 2wvy h LYS 424 N 0.86 0.76 -0.42 2.33 1.63 -1.92 -0.57 116.57 119.25 2wvy h LYS 424 Ca 0.23 -0.15 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 2wvy h LYS 424 Cb -0.01 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 2wvy h LYS 424 CO -0.04 0.69 0.19 0.00 -3.45 0.00 0.00 179.45 176.83 2wvy h ALA 425 N 1.03 0.54 -0.62 5.00 0.00 -0.83 -1.72 119.26 122.66 2wvy h ALA 425 Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2wvy h ALA 425 Cb 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2wvy h ALA 425 CO -0.01 0.12 0.35 1.25 0.00 0.00 0.00 179.25 180.95 2wvy h LEU 426 N 0.53 0.77 -0.84 0.00 5.85 -0.88 -0.43 115.31 120.31 2wvy h LEU 426 Ca 0.14 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2wvy h LEU 426 Cb 0.15 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2wvy h LEU 426 CO -0.02 0.63 0.56 -0.08 -0.34 0.00 0.00 178.44 179.19 2wvy h GLU 427 N 0.84 1.10 -0.50 1.25 4.81 -0.99 -1.33 114.58 119.76 2wvy h GLU 427 Ca 0.22 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 2wvy h GLU 427 Cb 0.03 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 2wvy h GLU 427 CO -0.04 0.73 -0.13 0.00 -0.73 0.00 0.00 179.01 178.84 2wvy h ALA 428 N 1.31 0.83 -0.11 2.92 0.00 -0.89 -1.89 119.26 121.44 2wvy h ALA 428 Ca 0.31 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wvy h ALA 428 Cb -0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2wvy h ALA 428 CO -0.07 0.65 0.06 0.52 0.00 0.00 0.00 179.25 180.41 2wvy h MET 429 N 0.84 0.15 -0.55 0.00 2.86 -0.80 -1.69 114.93 115.74 2wvy h MET 429 Ca 0.13 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2wvy h MET 429 Cb 0.67 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 2wvy h MET 429 CO 0.05 0.19 0.28 0.82 1.06 0.00 0.00 176.91 179.30 2wvy h ILE 430 N 0.07 1.19 -0.27 -1.22 2.04 -1.17 -2.28 117.51 115.88 2wvy h ILE 430 Ca 0.04 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 2wvy h ILE 430 Cb 0.08 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 2wvy h ILE 430 CO -0.01 0.22 -0.01 -0.74 0.00 0.00 0.00 178.15 177.61 2wvy h HIS 431 N 0.73 0.42 0.00 1.37 2.76 -1.23 -1.38 115.15 117.82 2wvy h HIS 431 Ca 0.19 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 2wvy h HIS 431 Cb 0.09 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 28.92 2wvy h HIS 431 CO -0.01 0.43 -0.16 0.37 -1.30 0.00 0.00 177.93 177.26 2wvy h GLN 432 N 0.40 0.00 -0.01 5.26 5.75 -0.71 -2.01 115.11 123.78 2wvy h GLN 432 Ca 0.09 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 2wvy h GLN 432 Cb 0.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.83 2wvy h GLN 432 CO 0.01 0.16 -0.61 0.25 -2.65 0.00 0.00 178.83 175.99 2wvy n THR 433 N -3.72 0.00 -0.71 2.39 -2.24 -0.59 -2.15 114.28 107.27 2wvy n THR 433 Ca -0.02 -0.11 0.05 0.00 -2.27 0.00 0.00 64.05 61.71 2wvy n THR 433 Cb 0.28 0.85 0.07 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.87 1.82 -3.57 -0.78 1.13 -0.81 -4.84 117.38 109.47 2wvy n GLN 434 Ca 0.07 -2.01 -0.10 0.00 -1.94 0.00 0.00 57.00 53.03 2wvy n GLN 434 Cb 0.38 -1.22 -0.02 0.00 0.11 0.00 0.00 30.24 29.49 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 -1.90 -1.53 -0.03 -1.58 0.00 -0.89 -5.01 121.76 110.83 2wvy s ALA 435 Ca 0.17 0.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.40 2wvy s ALA 435 Cb 0.15 0.81 0.01 0.00 0.00 0.00 0.00 23.12 24.09 2wvy s ALA 435 CO 0.02 -0.85 0.11 0.50 0.00 0.00 0.00 175.76 175.53 2wvy s ARG 436 N -3.70 0.22 0.36 0.00 3.52 -1.26 -0.74 118.95 117.36 2wvy s ARG 436 Ca 0.05 -0.03 -0.27 0.00 -0.13 0.00 0.00 55.73 55.34 2wvy s ARG 436 Cb -0.02 0.10 -0.12 0.00 -1.56 0.00 0.00 34.95 33.35 2wvy s ARG 436 CO -0.06 -0.04 1.30 1.58 -0.81 0.00 0.00 175.30 177.27 2wvy n HIS 437 N 2.55 2.32 -0.29 5.12 -0.00 0.12 -4.90 115.22 120.15 2wvy n HIS 437 Ca -0.16 0.53 0.02 0.00 -0.00 0.00 0.00 57.72 58.11 2wvy n HIS 437 Cb 0.58 -2.42 0.22 0.00 -0.00 0.00 0.00 29.99 28.37 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 2.48 1.46 0.00 1.57 0.00 -2.01 -3.31 119.26 119.45 2wvy h ALA 438 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2wvy h ALA 438 Cb 1.28 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2wvy h ALA 438 CO 0.62 0.45 -1.09 -0.85 0.00 0.00 0.00 179.25 178.39 2wvy n GLU 439 N -4.45 0.64 -3.54 0.00 0.00 -1.26 -4.96 120.64 107.06 2wvy n GLU 439 Ca 0.12 -0.03 -0.41 0.00 0.00 0.00 0.00 57.16 56.83 2wvy n GLU 439 Cb 0.11 -1.05 -0.10 0.00 0.00 0.00 0.00 31.44 30.40 2wvy n GLU 439 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2wvy s ILE 440 N -2.19 4.59 0.33 3.84 1.01 -1.25 -4.95 121.20 122.59 2wvy s ILE 440 Ca -0.01 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.50 2wvy s ILE 440 Cb 0.03 -3.72 0.23 0.00 0.01 0.00 0.00 42.46 39.00 2wvy s ILE 440 CO 0.16 -0.45 1.95 0.00 0.00 0.00 0.00 174.94 176.60 2wvy h ALA 441 N 8.51 1.44 0.00 9.38 0.00 -1.93 -2.21 119.26 134.44 2wvy h ALA 441 Ca -0.25 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2wvy h ALA 441 Cb 1.10 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2wvy h ALA 441 CO 0.76 0.46 0.00 -1.13 0.00 0.00 0.00 179.25 179.34 2wvy n SER 442 N -4.38 0.00 -4.47 0.00 3.41 -1.26 -3.84 113.62 103.07 2wvy n SER 442 Ca 0.05 0.39 -0.42 0.00 -0.26 0.00 0.00 58.87 58.63 2wvy n SER 442 Cb 0.11 -0.45 -0.10 0.00 -0.26 0.00 0.00 64.21 63.50 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 -2.91 5.21 0.00 -3.33 1.01 -0.83 -4.72 120.40 114.84 2wvy s VAL 443 Ca 0.11 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.54 2wvy s VAL 443 Cb 0.12 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2wvy s VAL 443 CO 0.33 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2wvy n GLY 444 N 5.13 -0.06 2.91 4.51 0.00 -1.26 -0.70 105.19 115.72 2wvy n GLY 444 Ca -0.12 -1.62 -0.30 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 1.63 0.06 1.61 3.52 0.09 -4.82 118.95 121.04 2wvy s ARG 445 Ca 0.00 -2.21 -0.32 0.00 -0.13 0.00 0.00 55.73 53.07 2wvy s ARG 445 Cb 0.00 -3.02 -0.11 0.00 -1.56 0.00 0.00 34.95 30.26 2wvy s ARG 445 CO 0.00 -1.07 1.84 -3.47 -0.81 0.00 0.00 175.30 171.80 2wvy n ASP 446 N 3.61 3.82 0.00 -2.12 2.03 -1.25 -1.77 116.55 120.86 2wvy n ASP 446 Ca 0.05 0.98 0.00 0.00 0.52 0.00 0.00 54.79 56.34 2wvy n ASP 446 Cb 0.36 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.27 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 4.24 0.59 0.30 0.27 0.00 -1.26 -4.97 105.19 104.35 2wvy n GLY 447 Ca 0.19 -0.61 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 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 0.75 0.46 1.61 -5.15 -1.68 -2.05 116.94 110.88 2wvy h PHE 448 Ca 0.00 -0.05 -0.01 0.00 -0.20 0.00 0.00 57.97 57.71 2wvy h PHE 448 Cb 0.00 -0.23 -0.02 0.00 0.22 0.00 0.00 35.95 35.92 2wvy h PHE 448 CO 0.00 0.61 -0.41 0.93 -2.00 0.00 0.00 178.31 177.44 2wvy h GLU 449 N 0.73 -0.84 -0.40 6.09 3.07 -1.93 -0.26 114.58 121.04 2wvy h GLU 449 Ca 0.17 0.06 0.08 0.00 -0.50 0.00 0.00 59.36 59.16 2wvy h GLU 449 Cb 0.21 0.19 -0.07 0.00 -0.84 0.00 0.00 28.75 28.24 2wvy h GLU 449 CO -0.01 -0.56 -0.03 1.88 -1.40 0.00 0.00 179.01 178.89 2wvy h TYR 450 N -0.87 -0.08 -0.57 4.33 0.05 -1.85 -1.80 116.97 116.18 2wvy h TYR 450 Ca -0.05 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2wvy h TYR 450 Cb 0.76 0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.57 2wvy h TYR 450 CO -0.20 -0.11 0.36 -0.92 -1.05 0.00 0.00 178.16 176.24 2wvy h TYR 451 N 0.07 0.73 -0.68 4.88 3.20 -1.00 0.73 116.97 124.90 2wvy h TYR 451 Ca 0.20 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 2wvy h TYR 451 Cb 0.29 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 2wvy h TYR 451 CO -0.29 0.48 0.33 -0.44 -1.64 0.00 0.00 178.16 176.60 2wvy h ASP 452 N 0.77 0.89 -0.05 -2.11 3.32 -0.82 0.50 116.42 118.92 2wvy h ASP 452 Ca 0.21 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 2wvy h ASP 452 Cb -0.06 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.27 2wvy h ASP 452 CO -0.04 0.76 -0.37 0.50 -1.72 0.00 0.00 179.24 178.37 2wvy h LYS 453 N 0.94 0.33 0.00 3.56 1.63 -0.43 -3.38 116.57 119.22 2wvy h LYS 453 Ca 0.23 -0.29 -0.17 0.00 -0.85 0.00 0.00 60.65 59.57 2wvy h LYS 453 Cb 0.11 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 2wvy h LYS 453 CO -0.03 0.96 -1.78 1.28 -3.45 0.00 0.00 179.45 176.42 2wvy n LEU 454 N -4.39 0.44 0.00 5.20 4.77 0.25 -4.97 117.00 118.29 2wvy n LEU 454 Ca -0.09 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2wvy n LEU 454 Cb 0.54 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 2wvy n LEU 454 CO 0.42 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2wvy n GLY 455 N 1.44 0.73 3.57 -0.72 0.00 0.16 -5.02 105.19 105.36 2wvy n GLY 455 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.74 -0.39 -0.16 1.61 -0.85 -1.24 -4.77 117.35 108.81 2wvy s TYR 456 Ca 0.00 0.11 -0.16 0.00 -0.52 0.00 0.00 57.07 56.51 2wvy s TYR 456 Cb 0.00 0.60 -0.04 0.00 0.38 0.00 0.00 41.96 42.90 2wvy s TYR 456 CO 0.00 -0.92 0.39 0.08 -1.52 0.00 0.00 175.55 173.58 2wvy s VAL 457 N -3.68 5.23 0.27 -3.49 1.01 -1.26 -3.45 120.40 115.02 2wvy s VAL 457 Ca 0.05 0.74 -0.13 0.00 0.00 0.00 0.00 61.98 62.63 2wvy s VAL 457 Cb -0.02 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.55 2wvy s VAL 457 CO -0.06 0.32 0.66 -2.16 0.00 0.00 0.00 175.10 173.86 2wvy s PRO 458 N 0.80 3.95 -0.18 2.72 0.04 -1.26 -4.41 135.00 136.66 2wvy s PRO 458 Ca 0.20 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.78 2wvy s PRO 458 Cb -0.14 -2.58 0.04 0.00 0.04 0.00 0.00 34.50 31.86 2wvy s PRO 458 CO 0.07 0.26 -0.07 -0.47 0.04 0.00 0.00 177.00 176.83 2wvy s TYR 459 N -1.85 2.00 0.00 0.56 5.04 0.41 -1.77 117.35 121.73 2wvy s TYR 459 Ca 0.50 -1.31 0.00 0.00 -2.44 0.00 0.00 57.07 53.81 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 0.19 -0.67 0.78 -0.35 -1.34 0.00 0.00 175.55 174.15 2wvy n PRO 460 N 4.79 1.33 -0.29 4.97 -0.04 -1.26 -3.28 135.00 141.24 2wvy n PRO 460 Ca -0.13 -1.06 0.07 0.00 -0.04 0.00 0.00 63.50 62.34 2wvy n PRO 460 Cb 0.47 -0.98 0.30 0.00 -0.04 0.00 0.00 33.50 33.25 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 0.85 -4.49 0.54 3.07 -1.93 -3.40 114.58 109.22 2wvy h GLU 461 Ca 0.00 -0.05 -0.53 0.00 -0.50 0.00 0.00 59.36 58.28 2wvy h GLU 461 Cb 0.32 -0.19 -0.35 0.00 -0.84 0.00 0.00 28.75 27.69 2wvy h GLU 461 CO 0.00 0.57 -0.82 0.08 -1.40 0.00 0.00 179.01 177.44 2wvy s VAL 462 N -5.81 1.18 0.33 3.13 1.01 -0.73 -5.08 120.40 114.43 2wvy s VAL 462 Ca -0.11 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 2wvy s VAL 462 Cb 0.21 -1.11 -0.11 0.00 0.00 0.00 0.00 36.38 35.36 2wvy s VAL 462 CO 0.79 0.38 1.57 -2.65 0.00 0.00 0.00 175.10 175.19 2wvy n PRO 463 N 4.24 2.73 -2.14 2.72 -0.02 -1.26 -2.72 135.00 138.55 2wvy n PRO 463 Ca -0.19 0.97 -0.15 0.00 -2.02 0.00 0.00 63.50 62.11 2wvy n PRO 463 Cb 0.51 -2.74 -0.02 0.00 -0.02 0.00 0.00 33.50 31.24 2wvy n PRO 463 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wvy n GLU 464 N 1.46 -1.15 -0.30 -0.52 1.02 -0.39 -4.88 120.64 115.88 2wvy n GLU 464 Ca 0.05 0.76 0.05 0.00 -0.02 0.00 0.00 57.16 58.01 2wvy n GLU 464 Cb 0.38 -5.05 0.20 0.00 -0.02 0.00 0.00 31.44 26.94 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 0.59 1.24 -0.11 0.62 0.00 -1.46 -1.67 119.26 118.46 2wvy h ALA 465 Ca -0.34 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 2wvy h ALA 465 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wvy h ALA 465 CO 0.42 0.01 -0.34 1.15 0.00 0.00 0.00 179.25 180.49 2wvy h THR 466 N 0.72 1.38 -0.90 0.00 2.02 -1.35 -0.41 112.91 114.37 2wvy h THR 466 Ca 0.43 -1.66 -0.01 0.00 0.77 0.00 0.00 66.41 65.94 2wvy h THR 466 Cb 0.51 2.15 -0.04 0.00 -1.74 0.00 0.00 68.15 69.02 2wvy h THR 466 CO -0.30 0.49 0.52 0.00 0.37 0.00 0.00 175.52 176.60 2wvy h ALA 467 N 0.50 1.23 -0.24 6.16 0.00 -1.23 -1.74 119.26 123.93 2wvy h ALA 467 Ca -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wvy h ALA 467 Cb 0.96 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2wvy h ALA 467 CO 0.07 0.65 0.14 0.87 0.00 0.00 0.00 179.25 180.98 2wvy h LYS 468 N 1.25 0.33 -0.71 0.00 1.57 -1.22 -1.43 116.57 116.36 2wvy h LYS 468 Ca 0.32 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.16 2wvy h LYS 468 Cb -0.02 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.15 2wvy h LYS 468 CO -0.06 0.27 0.36 1.15 -0.57 0.00 0.00 179.45 180.60 2wvy h THR 469 N 0.30 0.86 -0.50 -0.16 2.02 -0.53 0.13 112.91 115.03 2wvy h THR 469 Ca 0.09 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 2wvy h THR 469 Cb 0.03 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 2wvy h THR 469 CO -0.02 0.11 -0.09 -0.07 0.37 0.00 0.00 175.52 175.83 2wvy h LEU 470 N 0.61 0.94 -0.56 2.58 3.38 -1.03 -1.20 115.31 120.04 2wvy h LEU 470 Ca 0.34 -0.35 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2wvy h LEU 470 Cb 0.34 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2wvy h LEU 470 CO -0.26 1.07 -0.07 -0.33 0.09 0.00 0.00 178.44 178.95 2wvy h GLU 471 N 0.80 1.03 -0.59 1.13 4.39 -0.82 -3.00 114.58 117.52 2wvy h GLU 471 Ca 0.13 -0.36 -0.05 0.00 0.34 0.00 0.00 59.36 59.41 2wvy h GLU 471 Cb 0.64 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 2wvy h GLU 471 CO 0.04 1.05 0.15 1.88 -1.16 0.00 0.00 179.01 180.98 2wvy h TYR 472 N 0.91 0.93 -0.78 4.33 0.05 -0.44 -1.29 116.97 120.69 2wvy h TYR 472 Ca 0.15 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.79 2wvy h TYR 472 Cb 0.63 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 38.06 2wvy h TYR 472 CO 0.04 0.77 0.29 0.00 -1.05 0.00 0.00 178.16 178.21 2wvy h ALA 473 N 1.30 1.02 -0.24 3.88 0.00 -1.14 0.23 119.26 124.31 2wvy h ALA 473 Ca 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2wvy h ALA 473 Cb 0.30 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2wvy h ALA 473 CO -0.00 0.67 0.03 -0.92 0.00 0.00 0.00 179.25 179.02 2wvy h TYR 474 N 1.15 0.44 -0.95 0.00 3.20 -1.37 -1.62 116.97 117.83 2wvy h TYR 474 Ca 0.26 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.11 2wvy h TYR 474 Cb 0.26 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.35 2wvy h TYR 474 CO 0.02 0.55 0.61 0.00 -1.64 0.00 0.00 178.16 177.70 2wvy h ALA 475 N 0.83 1.28 -0.56 1.82 0.00 -0.73 -0.35 119.26 121.57 2wvy h ALA 475 Ca 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2wvy h ALA 475 Cb 0.36 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2wvy h ALA 475 CO 0.01 0.43 -0.10 -0.44 0.00 0.00 0.00 179.25 179.15 2wvy h ASP 476 N 1.14 1.05 -0.90 0.00 3.32 -0.88 -1.13 116.42 119.03 2wvy h ASP 476 Ca 0.39 -0.35 0.03 0.00 0.02 0.00 0.00 57.03 57.12 2wvy h ASP 476 Cb 0.09 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 2wvy h ASP 476 CO -0.15 1.15 0.58 -0.25 -1.72 0.00 0.00 179.24 178.86 2wvy h TRP 477 N 0.93 1.10 -0.18 4.55 7.01 -0.37 -0.94 115.95 128.06 2wvy h TRP 477 Ca 0.14 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.20 2wvy h TRP 477 Cb 0.68 -0.37 -0.03 0.00 -2.10 0.00 0.00 29.16 27.34 2wvy h TRP 477 CO 0.05 0.65 -0.02 0.00 -2.79 0.00 0.00 178.44 176.33 2wvy h ILE 479 N 0.03 1.25 -0.13 0.00 2.04 -0.80 -0.43 117.51 119.47 2wvy h ILE 479 Ca 0.09 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.08 2wvy h ILE 479 Cb 0.12 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2wvy h ILE 479 CO -0.16 0.34 0.09 0.00 0.00 0.00 0.00 178.15 178.42 2wvy h ALA 480 N 1.19 0.17 -1.00 1.87 0.00 -0.95 0.32 119.26 120.84 2wvy h ALA 480 Ca 0.24 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.21 2wvy h ALA 480 Cb 0.28 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 2wvy h ALA 480 CO -0.01 -0.35 0.65 0.00 0.00 0.00 0.00 179.25 179.54 2wvy h ARG 481 N 0.17 1.13 0.06 0.00 2.47 -0.70 0.72 114.38 118.23 2wvy h ARG 481 Ca 0.05 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2wvy h ARG 481 Cb -0.02 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.05 2wvy h ARG 481 CO -0.01 0.75 -0.03 0.35 0.56 0.00 0.00 179.97 181.59 2wvy h PHE 482 N 1.16 -0.07 -0.72 3.04 3.57 -0.57 -1.98 116.94 121.37 2wvy h PHE 482 Ca 0.44 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.93 2wvy h PHE 482 Cb 0.19 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 2wvy h PHE 482 CO -0.00 0.25 0.43 0.00 -2.23 0.00 0.00 178.31 176.76 2wvy h ALA 483 N 0.50 0.91 -0.68 2.41 0.00 -0.65 -2.24 119.26 119.52 2wvy h ALA 483 Ca -0.01 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.90 2wvy h ALA 483 Cb 0.36 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 2wvy h ALA 483 CO 0.01 0.39 0.33 1.49 0.00 0.00 0.00 179.25 181.48 2wvy h GLU 484 N 0.98 0.56 0.00 0.00 4.81 -0.80 -0.89 114.58 119.23 2wvy h GLU 484 Ca 0.26 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2wvy h GLU 484 Cb -0.02 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.23 2wvy h GLU 484 CO -0.05 0.37 0.00 -1.13 -0.73 0.00 0.00 179.01 177.47 2wvy n SER 485 N -4.88 0.58 0.02 1.04 3.41 -0.75 -2.02 113.62 111.02 2wvy n SER 485 Ca 0.10 0.66 0.11 0.00 -0.26 0.00 0.00 58.87 59.48 2wvy n SER 485 Cb 0.26 -0.78 0.04 0.00 -0.26 0.00 0.00 64.21 63.47 2wvy n SER 485 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wvy n LEU 486 N -2.16 0.65 0.00 1.04 4.77 -0.43 -4.95 117.00 115.92 2wvy n LEU 486 Ca 0.02 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2wvy n LEU 486 Cb 0.20 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2wvy n LEU 486 CO 0.18 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2wvy n GLY 487 N 1.42 0.35 3.26 -0.72 0.00 -0.86 -5.01 105.19 103.64 2wvy n GLY 487 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.92 3.17 0.12 1.61 5.02 -0.67 -4.77 118.16 120.73 2wvy n LYS 488 Ca 0.00 -3.21 -0.00 0.00 -2.02 0.00 0.00 58.31 53.07 2wvy n LYS 488 Cb 0.00 -3.31 0.27 0.00 -0.02 0.00 0.00 35.03 31.96 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 6.90 0.16 0.09 1.97 5.75 -1.89 -1.75 115.11 126.34 2wvy h GLN 489 Ca 0.46 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.88 2wvy h GLN 489 Cb 0.78 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.33 2wvy h GLN 489 CO 1.56 0.53 -0.05 -0.44 -2.65 0.00 0.00 178.83 177.78 2wvy h ASP 490 N 0.13 -0.12 -0.15 -0.69 5.19 -1.97 -1.12 116.42 117.70 2wvy h ASP 490 Ca 0.01 0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.32 2wvy h ASP 490 Cb 0.76 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.29 2wvy h ASP 490 CO 0.06 -0.08 -0.26 0.40 -3.12 0.00 0.00 179.24 176.24 2wvy h ILE 491 N -0.13 1.27 -0.66 0.35 2.04 -1.93 -2.53 117.51 115.93 2wvy h ILE 491 Ca -0.01 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 2wvy h ILE 491 Cb 0.10 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2wvy h ILE 491 CO 0.02 0.43 0.29 0.00 0.00 0.00 0.00 178.15 178.89 2wvy h ALA 492 N 1.19 0.85 -0.76 1.87 0.00 -1.18 -2.73 119.26 118.50 2wvy h ALA 492 Ca 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2wvy h ALA 492 Cb 0.73 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2wvy h ALA 492 CO 0.06 0.44 0.42 -0.44 0.00 0.00 0.00 179.25 179.73 2wvy h ASP 493 N 0.91 0.94 -0.48 0.00 3.32 -0.99 -0.52 116.42 119.60 2wvy h ASP 493 Ca 0.22 -0.09 0.08 0.00 0.02 0.00 0.00 57.03 57.26 2wvy h ASP 493 Cb 0.16 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.41 2wvy h ASP 493 CO -0.02 0.76 0.12 1.56 -1.72 0.00 0.00 179.24 179.93 2wvy h GLN 494 N 1.04 0.25 0.08 3.56 4.20 -1.24 -2.21 115.11 120.79 2wvy h GLN 494 Ca 0.27 -0.02 -0.26 0.00 0.06 0.00 0.00 58.65 58.71 2wvy h GLN 494 Cb 0.02 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 27.75 2wvy h GLN 494 CO -0.04 0.17 -1.12 1.88 -0.67 0.00 0.00 178.83 179.05 2wvy h TYR 495 N 0.26 0.58 0.00 2.96 0.05 -1.22 -2.96 116.97 116.64 2wvy h TYR 495 Ca 0.24 -0.37 -0.00 0.00 0.05 0.00 0.00 58.73 58.64 2wvy h TYR 495 Cb 0.30 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 37.99 2wvy h TYR 495 CO -0.20 1.24 -0.02 1.88 -1.05 0.00 0.00 178.16 180.01 2wvy h TYR 496 N 0.15 0.00 -0.38 4.88 0.05 -1.05 0.43 116.97 121.04 2wvy h TYR 496 Ca -0.12 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.72 2wvy h TYR 496 Cb 1.80 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.52 2wvy h TYR 496 CO 0.07 0.02 0.26 1.96 -1.05 0.00 0.00 178.16 179.41 2wvy h GLN 497 N 0.00 0.29 0.00 4.88 1.08 -1.22 -2.63 115.11 117.51 2wvy h GLN 497 Ca -0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2wvy h GLN 497 Cb 0.03 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 2wvy h GLN 497 CO 0.00 0.19 -0.71 0.87 -0.95 0.00 0.00 178.83 178.24 2wvy h LYS 498 N 0.30 0.00 -0.59 1.46 1.57 -1.00 -3.38 116.57 114.93 2wvy h LYS 498 Ca 0.17 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.06 2wvy h LYS 498 Cb 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2wvy h LYS 498 CO -0.04 0.00 0.40 0.00 -0.57 0.00 0.00 179.45 179.25 2wvy h ALA 499 N 2.09 2.13 -0.24 3.86 0.00 -1.19 0.16 119.26 126.08 2wvy h ALA 499 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wvy h ALA 499 Cb 0.95 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2wvy h ALA 499 CO 0.00 -0.28 0.00 -0.35 0.00 0.00 0.00 179.25 178.62 2wvy n PRO 500 N -4.46 1.76 0.30 0.00 -0.05 -1.26 -4.37 135.00 126.93 2wvy n PRO 500 Ca 0.10 -0.96 0.18 0.00 -0.05 0.00 0.00 63.50 62.77 2wvy n PRO 500 Cb 0.44 -1.32 0.94 0.00 -0.05 0.00 0.00 33.50 33.51 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 1.47 0.00 -0.19 3.54 2.35 -0.94 -0.10 115.58 121.72 2wvy h ASN 501 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 2wvy h ASN 501 Cb 0.49 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 2wvy h ASN 501 CO 0.04 0.00 0.18 0.10 -1.65 0.00 0.00 177.43 176.10 2wvy h TYR 502 N 0.00 0.00 -0.06 1.19 -0.00 -1.82 -1.22 116.97 115.05 2wvy h TYR 502 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.71 2wvy h TYR 502 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.17 2wvy h TYR 502 CO 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 178.16 177.98 2wvy h ARG 503 N 0.00 0.10 0.00 0.10 3.08 -1.36 -2.69 114.38 113.61 2wvy h ARG 503 Ca 0.09 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2wvy h ARG 503 Cb 0.45 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2wvy h ARG 503 CO -0.00 0.28 0.00 -0.91 -1.07 0.00 0.00 179.97 178.27 2wvy h ASN 504 N 0.09 0.00 -0.16 7.04 2.35 -1.40 -2.74 115.58 120.76 2wvy h ASN 504 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2wvy h ASN 504 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2wvy h ASN 504 CO 0.03 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.99 2wvy n LEU 505 N -2.44 2.30 -4.66 1.61 4.77 -1.01 -4.95 117.00 112.62 2wvy n LEU 505 Ca 0.00 -1.55 -0.43 0.00 -0.03 0.00 0.00 56.01 54.00 2wvy n LEU 505 Cb 0.15 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2wvy n LEU 505 CO 0.17 0.53 0.85 -0.47 -1.33 0.00 0.00 177.39 177.14 2wvy s TYR 506 N -0.89 3.34 -0.61 -1.77 5.04 -1.04 -0.93 117.35 120.50 2wvy s TYR 506 Ca 0.15 1.39 -0.21 0.00 -2.44 0.00 0.00 57.07 55.97 2wvy s TYR 506 Cb 0.09 -3.22 0.08 0.00 0.35 0.00 0.00 41.96 39.26 2wvy s TYR 506 CO 0.12 -0.45 0.82 -0.47 -1.34 0.00 0.00 175.55 174.23 2wvy s TYR 507 N 3.08 2.85 0.27 4.97 6.14 -0.13 -4.95 117.35 129.58 2wvy s TYR 507 Ca 0.42 -0.68 -0.04 0.00 0.64 0.00 0.00 57.07 57.41 2wvy s TYR 507 Cb -0.15 -4.08 0.35 0.00 0.42 0.00 0.00 41.96 38.50 2wvy s TYR 507 CO 0.07 -1.42 1.93 -1.35 0.64 0.00 0.00 175.55 175.42 2wvy h PRO 508 N 9.33 1.22 -0.76 4.97 0.11 -1.95 0.35 132.00 145.27 2wvy h PRO 508 Ca -0.29 -0.07 0.10 0.00 0.11 0.00 0.00 66.00 65.85 2wvy h PRO 508 Cb 1.08 -0.27 -0.07 0.00 0.11 0.00 0.00 31.00 31.84 2wvy h PRO 508 CO 1.12 0.81 0.40 0.93 -0.21 0.00 0.00 178.00 181.04 2wvy h GLU 509 N 1.25 0.64 0.00 1.05 3.07 -1.96 -3.01 114.58 115.62 2wvy h GLU 509 Ca 0.37 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 2wvy h GLU 509 Cb -0.07 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.69 2wvy h GLU 509 CO -0.10 0.42 -1.26 0.72 -1.40 0.00 0.00 179.01 177.40 2wvy n HIS 510 N -4.83 0.00 -2.74 4.33 8.25 -0.95 -5.02 115.22 114.26 2wvy n HIS 510 Ca 0.12 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.45 2wvy n HIS 510 Cb 0.29 -0.14 0.02 0.00 1.12 0.00 0.00 29.99 31.28 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 1.43 -0.02 3.17 -1.41 0.00 0.12 -5.04 105.19 103.44 2wvy n GLY 511 Ca 0.02 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.93 0.54 0.47 1.61 0.08 -1.21 -4.97 117.98 111.57 2wvy s PHE 512 Ca 0.19 -0.99 -0.23 0.00 0.12 0.00 0.00 56.93 56.03 2wvy s PHE 512 Cb -0.08 -0.31 -0.07 0.00 -0.57 0.00 0.00 43.02 41.99 2wvy s PHE 512 CO 0.24 -0.51 1.18 -1.64 -0.10 0.00 0.00 175.22 174.39 2wvy s MET 513 N -3.96 3.68 0.00 0.44 -1.94 -1.26 -0.96 119.30 115.31 2wvy s MET 513 Ca 0.14 1.80 0.00 0.00 -1.71 0.00 0.00 55.69 55.92 2wvy s MET 513 Cb 0.07 -2.37 0.00 0.00 2.01 0.00 0.00 34.83 34.53 2wvy s MET 513 CO -0.05 -0.62 0.00 1.87 -0.01 0.00 0.00 175.02 176.21 2wvy n TRP 514 N -0.57 0.00 -3.96 -0.03 -0.00 -0.11 -4.76 117.44 108.01 2wvy n TRP 514 Ca 0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.49 2wvy n TRP 514 Cb 0.48 0.00 -0.09 0.00 -0.00 0.00 0.00 31.31 31.70 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 -0.29 0.15 0.11 5.87 -1.32 -1.26 -4.83 115.64 114.07 2wvy s THR 515 Ca 0.00 -1.25 0.06 0.00 -1.21 0.00 0.00 61.69 59.29 2wvy s THR 515 Cb 0.00 -1.03 -0.04 0.00 -1.51 0.00 0.00 72.50 69.92 2wvy s THR 515 CO 0.00 -0.69 -0.15 -0.54 -2.21 0.00 0.00 174.62 171.03 2wvy s LYS 516 N -2.95 0.98 0.46 7.08 1.02 -1.26 -1.84 119.74 123.22 2wvy s LYS 516 Ca -0.02 -1.16 -0.06 0.00 0.02 0.00 0.00 55.97 54.75 2wvy s LYS 516 Cb 0.01 -0.93 0.10 0.00 -0.52 0.00 0.00 37.83 36.49 2wvy s LYS 516 CO -0.06 0.19 0.62 -0.40 -0.92 0.00 0.00 175.35 174.78 2wvy n ASP 517 N 0.78 0.25 0.08 2.83 5.68 -0.62 -0.45 116.55 125.11 2wvy n ASP 517 Ca -0.17 -1.35 0.09 0.00 -0.50 0.00 0.00 54.79 52.85 2wvy n ASP 517 Cb 0.56 -0.46 0.39 0.00 -1.14 0.00 0.00 41.12 40.48 2wvy n ASP 517 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wvy n ALA 518 N -3.28 1.50 -0.22 2.12 0.00 -1.26 -1.94 120.51 117.42 2wvy n ALA 518 Ca -0.10 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.50 2wvy n ALA 518 Cb 0.30 -1.29 0.28 0.00 0.00 0.00 0.00 19.45 18.74 2wvy n ALA 518 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wvy n LYS 519 N -1.93 2.69 -0.69 0.00 5.02 -1.26 -4.94 118.16 117.05 2wvy n LYS 519 Ca 0.02 -2.50 0.00 0.00 -2.02 0.00 0.00 58.31 53.81 2wvy n LYS 519 Cb 0.16 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 2wvy n LYS 519 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wvy n GLY 520 N 1.45 0.74 3.68 0.72 0.00 -0.82 -5.04 105.19 105.92 2wvy n GLY 520 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.43 7.21 0.54 1.61 0.02 -1.26 -4.82 114.94 115.81 2wvy s ASN 521 Ca 0.00 1.48 -0.22 0.00 -1.02 0.00 0.00 52.86 53.10 2wvy s ASN 521 Cb 0.00 -2.54 -0.05 0.00 0.02 0.00 0.00 41.25 38.68 2wvy s ASN 521 CO 0.00 -0.45 1.38 0.26 0.02 0.00 0.00 177.10 178.31 2wvy s TRP 522 N 2.06 2.26 0.35 2.20 0.52 -1.26 -1.59 118.94 123.48 2wvy s TRP 522 Ca 0.47 1.35 -0.27 0.00 0.02 0.00 0.00 56.10 57.67 2wvy s TRP 522 Cb -0.18 -3.84 -0.09 0.00 -1.15 0.00 0.00 33.47 28.21 2wvy s TRP 522 CO 0.17 -2.99 1.17 0.50 0.02 0.00 0.00 176.95 175.82 2wvy s ARG 523 N -2.88 4.32 0.68 4.98 3.52 -0.77 -4.88 118.95 123.93 2wvy s ARG 523 Ca 0.71 1.90 -0.17 0.00 -0.13 0.00 0.00 55.73 58.04 2wvy s ARG 523 Cb -0.41 -2.93 0.01 0.00 -1.56 0.00 0.00 34.95 30.06 2wvy s ARG 523 CO 0.49 -0.11 1.26 -0.25 -0.81 0.00 0.00 175.30 175.88 2wvy n ASP 524 N 0.59 1.78 -3.12 -2.12 8.00 -1.26 -4.41 116.55 116.01 2wvy n ASP 524 Ca 0.02 0.77 -0.04 0.00 0.71 0.00 0.00 54.79 56.24 2wvy n ASP 524 Cb 0.45 -1.54 0.02 0.00 -0.02 0.00 0.00 41.12 40.03 2wvy n ASP 524 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wvy n ARG 525 N -2.18 -1.57 -1.67 -1.24 5.12 -1.26 -4.88 116.66 108.98 2wvy n ARG 525 Ca 0.15 1.32 -0.44 0.00 -1.93 0.00 0.00 57.85 56.95 2wvy n ARG 525 Cb 0.49 -5.75 -0.02 0.00 -1.16 0.00 0.00 32.46 26.02 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 -2.18 2.05 -3.39 -1.55 7.35 -1.26 -4.99 117.46 113.49 2wvy n PHE 526 Ca -0.02 0.52 -0.13 0.00 -0.76 0.00 0.00 57.45 57.06 2wvy n PHE 526 Cb 0.53 -2.41 -0.09 0.00 0.35 0.00 0.00 39.48 37.86 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 -0.04 0.84 0.46 -2.13 2.15 -1.26 -5.03 116.67 111.66 2wvy s ASP 527 Ca 0.63 -0.16 0.18 0.00 0.43 0.00 0.00 52.55 53.63 2wvy s ASP 527 Cb -0.64 0.81 1.16 0.00 -0.30 0.00 0.00 42.92 43.95 2wvy s ASP 527 CO 0.56 -0.33 1.96 0.00 -0.17 0.00 0.00 175.17 177.18 2wvy h ALA 528 N 8.23 2.21 -0.10 3.66 0.00 -1.96 -2.56 119.26 128.74 2wvy h ALA 528 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wvy h ALA 528 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2wvy h ALA 528 CO 0.29 -0.38 0.00 0.25 0.00 0.00 0.00 179.25 179.40 2wvy n THR 529 N -4.44 0.10 -2.38 0.00 -2.24 -1.26 -1.72 114.28 102.35 2wvy n THR 529 Ca 0.12 -0.53 -0.43 0.00 -2.27 0.00 0.00 64.05 60.94 2wvy n THR 529 Cb 0.52 1.32 -0.02 0.00 -2.10 0.00 0.00 70.33 70.04 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 -1.90 4.28 0.68 -0.78 2.12 -0.97 -4.81 118.70 117.33 2wvy s GLU 530 Ca 0.31 1.75 -0.08 0.00 0.36 0.00 0.00 54.97 57.31 2wvy s GLU 530 Cb 0.21 -3.67 0.03 0.00 0.26 0.00 0.00 34.13 30.96 2wvy s GLU 530 CO 0.31 -0.60 1.02 -1.58 -0.54 0.00 0.00 175.26 173.87 2wvy s TRP 531 N 2.87 3.16 0.00 5.30 0.52 -1.26 -4.33 118.94 125.19 2wvy s TRP 531 Ca 0.58 0.72 0.00 0.00 0.02 0.00 0.00 56.10 57.42 2wvy s TRP 531 Cb -0.25 -3.03 0.00 0.00 -1.15 0.00 0.00 33.47 29.03 2wvy s TRP 531 CO 0.20 -1.18 0.00 0.41 0.02 0.00 0.00 176.95 176.40 2wvy n GLY 532 N -2.87 -0.96 7.00 0.98 0.00 -1.18 -4.94 105.19 103.22 2wvy n GLY 532 Ca 0.06 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 3.26 0.00 -0.02 0.00 -1.26 -1.70 105.19 105.47 2wvy n GLY 533 Ca 0.00 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 9.96 0.42 -4.19 1.61 -0.04 -1.26 -1.26 135.00 140.24 2wvy n PRO 534 Ca 0.00 0.05 -0.23 0.00 -0.04 0.00 0.00 63.50 63.27 2wvy n PRO 534 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 -2.47 2.92 -0.21 0.54 0.08 -0.69 -1.17 117.98 116.98 2wvy s PHE 535 Ca 0.26 -0.15 -0.02 0.00 0.12 0.00 0.00 56.93 57.14 2wvy s PHE 535 Cb 0.16 -1.33 0.01 0.00 -0.57 0.00 0.00 43.02 41.29 2wvy s PHE 535 CO 0.35 0.56 -0.10 0.99 -0.10 0.00 0.00 175.22 176.92 2wvy s THR 536 N -2.11 2.83 -1.49 0.64 2.01 -1.26 -4.17 115.64 112.08 2wvy s THR 536 Ca 0.31 -0.76 -0.08 0.00 0.31 0.00 0.00 61.69 61.48 2wvy s THR 536 Cb -0.08 -2.30 0.06 0.00 0.01 0.00 0.00 72.50 70.19 2wvy s THR 536 CO 0.22 0.41 0.69 -0.62 -0.69 0.00 0.00 174.62 174.63 2wvy n GLU 537 N 4.71 -4.12 -3.52 4.92 -0.58 -1.26 -4.82 120.64 115.98 2wvy n GLU 537 Ca -0.19 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 2wvy n GLU 537 Cb 0.50 -5.02 0.00 0.00 -0.57 0.00 0.00 31.44 26.35 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 -1.71 -1.69 3.68 0.62 0.00 -1.26 -4.88 105.19 99.95 2wvy n GLY 538 Ca -0.13 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.96 3.68 0.45 1.61 1.04 -1.26 -3.09 113.70 114.17 2wvy s SER 539 Ca 0.00 -1.69 0.16 0.00 0.48 0.00 0.00 55.95 54.91 2wvy s SER 539 Cb 0.00 0.57 1.10 0.00 0.10 0.00 0.00 66.02 67.79 2wvy s SER 539 CO 0.00 -0.91 1.97 -1.28 0.98 0.00 0.00 173.24 174.00 2wvy h SER 540 N 1.48 0.31 -0.96 7.02 0.87 -1.71 0.16 113.55 120.71 2wvy h SER 540 Ca -0.41 0.01 0.20 0.00 -1.23 0.00 0.00 61.79 60.37 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 0.67 0.18 0.61 -0.25 -0.53 0.00 0.00 176.83 177.51 2wvy h TRP 541 N 0.33 0.76 0.00 2.24 2.91 -1.69 -0.94 115.95 119.56 2wvy h TRP 541 Ca 0.29 0.02 -0.14 0.00 1.13 0.00 0.00 58.89 60.19 2wvy h TRP 541 Cb 0.69 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 29.08 2wvy h TRP 541 CO -0.00 0.18 -0.92 0.45 -1.03 0.00 0.00 178.44 177.13 2wvy h HIS 542 N 0.55 0.00 0.00 2.65 -0.00 -1.06 -3.40 115.15 113.89 2wvy h HIS 542 Ca 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.87 2wvy h HIS 542 Cb 1.08 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.49 2wvy h HIS 542 CO -0.00 0.98 -0.08 -1.49 -0.00 0.00 0.00 177.93 177.33 2wvy h TRP 543 N -1.00 0.00 -0.02 2.45 4.06 -1.02 -2.65 115.95 117.78 2wvy h TRP 543 Ca -0.21 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.74 2wvy h TRP 543 Cb 1.01 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.17 2wvy h TRP 543 CO 0.02 0.08 0.04 1.15 -3.56 0.00 0.00 178.44 176.17 2wvy h THR 544 N 0.00 0.21 -0.00 1.49 2.02 -1.39 -0.80 112.91 114.43 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 0.30 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2wvy h THR 544 CO 0.01 0.00 -0.34 0.79 0.37 0.00 0.00 175.52 176.35 2wvy n TRP 545 N -3.37 0.00 -1.25 3.16 7.02 -1.00 -4.61 117.44 117.38 2wvy n TRP 545 Ca -0.03 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.09 2wvy n TRP 545 Cb 0.12 -0.18 -0.02 0.00 -2.42 0.00 0.00 31.31 28.80 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 -1.02 6.36 -3.16 -0.99 2.88 -0.31 -4.40 113.62 112.98 2wvy n SER 546 Ca 0.10 -2.58 -0.21 0.00 -1.33 0.00 0.00 58.87 54.84 2wvy n SER 546 Cb 0.34 -1.44 -0.04 0.00 -0.75 0.00 0.00 64.21 62.32 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 4.24 0.40 0.25 2.46 0.31 -1.26 -4.83 118.33 119.90 2wvy n VAL 547 Ca 0.63 -4.66 0.15 0.00 -0.01 0.00 0.00 64.34 60.45 2wvy n VAL 547 Cb 0.26 -0.93 0.52 0.00 -0.91 0.00 0.00 33.84 32.78 2wvy n VAL 547 CO 0.00 0.00 0.00 2.19 -1.32 0.00 0.00 176.83 177.70 2wvy h PHE 548 N 3.29 0.00 -0.00 3.52 -5.15 -1.88 -2.44 116.94 114.28 2wvy h PHE 548 Ca 0.10 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.87 2wvy h PHE 548 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.03 2wvy h PHE 548 CO 0.52 0.04 -0.04 -2.39 -2.00 0.00 0.00 178.31 174.44 2wvy n HIS 549 N -3.13 0.00 -2.83 6.09 1.44 -1.26 -4.46 115.22 111.07 2wvy n HIS 549 Ca 0.01 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.62 2wvy n HIS 549 Cb 0.38 -0.19 0.06 0.00 0.12 0.00 0.00 29.99 30.36 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 -1.10 -1.42 -0.29 4.39 -0.08 -0.92 -1.05 116.55 116.07 2wvy n ASP 550 Ca 0.16 -3.36 0.04 0.00 -1.51 0.00 0.00 54.79 50.13 2wvy n ASP 550 Cb 0.23 1.15 0.25 0.00 2.34 0.00 0.00 41.12 45.09 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 2.88 0.97 -0.37 -0.67 0.11 -1.77 -0.96 132.00 132.19 2wvy h PRO 551 Ca -0.08 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.98 2wvy h PRO 551 Cb 1.10 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 2wvy h PRO 551 CO 0.20 0.64 0.24 1.49 -0.21 0.00 0.00 178.00 180.37 2wvy h GLU 552 N 1.00 0.48 -0.77 1.05 4.57 -1.90 -0.11 114.58 118.89 2wvy h GLU 552 Ca 0.39 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.56 2wvy h GLU 552 Cb 0.23 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 2wvy h GLU 552 CO -0.15 0.31 0.50 0.78 -1.18 0.00 0.00 179.01 179.28 2wvy h GLY 553 N 0.49 1.10 1.02 1.92 0.00 -1.70 0.62 103.07 106.52 2wvy h GLY 553 Ca 0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2wvy h GLY 553 CO -0.03 0.35 0.52 -2.00 0.00 0.00 0.00 176.54 175.38 2wvy h LEU 554 N 0.99 1.11 -1.09 3.11 5.85 -0.77 -1.30 115.31 123.22 2wvy h LEU 554 Ca 0.30 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 2wvy h LEU 554 Cb -0.05 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 2wvy h LEU 554 CO -0.09 0.87 -0.12 0.77 -0.34 0.00 0.00 178.44 179.53 2wvy h SER 555 N 1.26 0.48 -0.75 1.25 4.64 -0.20 -2.09 113.55 118.14 2wvy h SER 555 Ca 0.32 -0.12 0.03 0.00 -0.47 0.00 0.00 61.79 61.55 2wvy h SER 555 Cb -0.01 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 61.90 2wvy h SER 555 CO -0.06 0.64 0.47 -0.33 -0.87 0.00 0.00 176.83 176.69 2wvy h GLU 556 N 0.46 0.90 -0.89 4.77 5.08 0.15 0.13 114.58 125.19 2wvy h GLU 556 Ca 0.09 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wvy h GLU 556 Cb 0.49 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 2wvy h GLU 556 CO 0.03 0.60 0.54 -0.07 -1.00 0.00 0.00 179.01 179.11 2wvy h LEU 557 N 0.93 1.07 -0.09 1.33 3.38 -0.69 -2.87 115.31 118.37 2wvy h LEU 557 Ca 0.30 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2wvy h LEU 557 Cb -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 2wvy h LEU 557 CO -0.10 0.81 0.00 0.23 0.09 0.00 0.00 178.44 179.47 2wvy n MET 558 N -4.41 0.11 0.00 1.13 2.81 -0.75 -4.88 117.12 111.13 2wvy n MET 558 Ca 0.10 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 2wvy n MET 558 Cb 0.05 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 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 1.02 1.07 0.00 3.03 0.00 -0.65 -4.69 105.19 104.98 2wvy n GLY 559 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.45 1.70 0.35 -0.02 0.00 0.37 -4.81 105.19 102.34 2wvy n GLY 560 Ca 0.00 -1.99 0.04 0.00 0.00 0.00 0.00 46.02 44.06 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 0.84 0.20 1.61 -0.00 -1.93 -1.82 115.15 114.04 2wvy h HIS 561 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 2wvy h HIS 561 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.13 2wvy h HIS 561 CO 0.00 0.49 -0.09 1.49 -0.00 0.00 0.00 177.93 179.81 2wvy h GLU 562 N 0.87 -0.26 -0.64 2.45 4.81 -1.92 0.29 114.58 120.18 2wvy h GLU 562 Ca 0.29 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 2wvy h GLU 562 Cb 0.06 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2wvy h GLU 562 CO -0.08 0.05 0.24 -1.00 -0.73 0.00 0.00 179.01 177.49 2wvy h PRO 563 N -0.57 0.95 -0.51 0.92 0.13 -1.85 -2.07 132.00 129.00 2wvy h PRO 563 Ca -0.03 -0.16 0.02 0.00 -0.87 0.00 0.00 66.00 64.97 2wvy h PRO 563 Cb 0.42 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 31.36 2wvy h PRO 563 CO 0.04 0.78 0.31 1.98 -0.23 0.00 0.00 178.00 180.88 2wvy h MET 564 N 0.93 0.59 -0.67 0.86 1.85 -0.94 -1.84 114.93 115.71 2wvy h MET 564 Ca 0.22 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.30 2wvy h MET 564 Cb 0.20 -0.13 -0.04 0.00 0.43 0.00 0.00 31.60 32.05 2wvy h MET 564 CO -0.02 0.39 0.41 0.82 -0.40 0.00 0.00 176.91 178.12 2wvy h ILE 565 N 0.61 1.07 -0.75 1.77 2.04 -0.10 -1.06 117.51 121.09 2wvy h ILE 565 Ca 0.21 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 2wvy h ILE 565 Cb 0.02 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.27 2wvy h ILE 565 CO -0.09 0.15 0.29 0.00 0.00 0.00 0.00 178.15 178.50 2wvy h ALA 566 N 1.30 1.11 -0.42 1.87 0.00 -0.96 0.12 119.26 122.29 2wvy h ALA 566 Ca 0.28 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2wvy h ALA 566 Cb 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2wvy h ALA 566 CO -0.12 0.63 0.04 -0.09 0.00 0.00 0.00 179.25 179.72 2wvy h ARG 567 N 1.08 0.70 -0.50 0.00 2.43 -0.85 -1.26 114.38 115.99 2wvy h ARG 567 Ca 0.25 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2wvy h ARG 567 Cb 0.21 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2wvy h ARG 567 CO -0.02 0.76 0.24 -0.07 -1.51 0.00 0.00 179.97 179.37 2wvy h LEU 568 N 0.55 0.66 -1.31 3.80 3.38 -0.89 -2.55 115.31 118.94 2wvy h LEU 568 Ca 0.12 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2wvy h LEU 568 Cb 0.41 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2wvy h LEU 568 CO 0.01 0.60 0.52 0.44 0.09 0.00 0.00 178.44 180.10 2wvy h ASP 569 N 0.67 0.72 0.76 -0.43 3.32 -0.47 -0.71 116.42 120.27 2wvy h ASP 569 Ca 0.17 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 2wvy h ASP 569 Cb 0.12 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 2wvy h ASP 569 CO -0.02 0.45 -0.13 0.77 -1.72 0.00 0.00 179.24 178.59 2wvy h SER 570 N 0.81 0.00 0.93 6.45 4.64 -0.81 -2.79 113.55 122.78 2wvy h SER 570 Ca 0.35 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.56 2wvy h SER 570 Cb 0.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2wvy h SER 570 CO -0.13 0.13 -0.53 0.24 -0.87 0.00 0.00 176.83 175.68 2wvy h MET 571 N 0.00 0.00 -3.58 4.77 2.86 -1.02 -3.37 114.93 114.59 2wvy h MET 571 Ca -0.00 0.00 -0.77 0.00 -2.06 0.00 0.00 59.70 56.87 2wvy h MET 571 Cb 0.55 0.00 -0.29 0.00 0.06 0.00 0.00 31.60 31.91 2wvy h MET 571 CO 0.02 0.53 0.21 -0.06 1.06 0.00 0.00 176.91 178.66 2wvy s PHE 572 N -3.38 4.02 0.16 -0.22 0.08 -1.05 -1.77 117.98 115.82 2wvy s PHE 572 Ca 0.01 -2.60 -0.31 0.00 0.12 0.00 0.00 56.93 54.14 2wvy s PHE 572 Cb 0.11 -3.67 -0.09 0.00 -0.57 0.00 0.00 43.02 38.79 2wvy s PHE 572 CO 0.73 -0.91 1.48 0.14 -0.10 0.00 0.00 175.22 176.56 2wvy s VAL 573 N -0.88 2.88 0.40 -0.44 -7.23 -1.26 -4.99 120.40 108.89 2wvy s VAL 573 Ca 0.26 0.65 -0.02 0.00 -1.81 0.00 0.00 61.98 61.07 2wvy s VAL 573 Cb -0.10 -3.42 -0.03 0.00 0.56 0.00 0.00 36.38 33.39 2wvy s VAL 573 CO -0.09 0.06 0.64 0.00 -0.31 0.00 0.00 175.10 175.41 2wvy s ALA 574 N 0.90 3.59 0.22 1.32 0.00 -1.26 -4.78 121.76 121.75 2wvy s ALA 574 Ca 0.66 -0.76 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 2wvy s ALA 574 Cb -0.41 -2.29 -0.10 0.00 0.00 0.00 0.00 23.12 20.33 2wvy s ALA 574 CO 0.33 -0.16 1.41 -2.14 0.00 0.00 0.00 175.76 175.21 2wvy s PRO 575 N -4.49 4.30 -0.33 0.00 0.01 -1.26 -4.92 135.00 128.31 2wvy s PRO 575 Ca 0.43 2.22 -0.07 0.00 0.01 0.00 0.00 61.00 63.60 2wvy s PRO 575 Cb -0.10 -3.15 0.03 0.00 0.01 0.00 0.00 34.50 31.30 2wvy s PRO 575 CO 0.39 -0.39 0.10 1.21 0.01 0.00 0.00 177.00 178.32 2wvy s ASN 576 N 0.48 5.28 0.01 2.53 3.84 -1.26 -4.95 114.94 120.87 2wvy s ASN 576 Ca 0.60 -1.06 0.22 0.00 0.21 0.00 0.00 52.86 52.83 2wvy s ASN 576 Cb -0.40 -1.87 -0.06 0.00 -0.55 0.00 0.00 41.25 38.36 2wvy s ASN 576 CO 0.40 -0.30 0.96 0.35 -2.79 0.00 0.00 177.10 175.71 2wvy n THR 577 N 4.82 0.05 -1.55 -5.21 -2.24 -1.26 -5.00 114.28 103.89 2wvy n THR 577 Ca -0.13 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2wvy n THR 577 Cb 0.45 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.72 0.00 0.32 4.78 4.01 -1.26 -1.30 117.16 122.00 2wvy n TYR 578 Ca 0.03 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.85 2wvy n TYR 578 Cb 0.39 0.02 0.23 0.00 -0.31 0.00 0.00 39.34 39.67 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 3.08 2.84 0.11 7.72 3.02 -1.26 -4.34 115.26 126.43 2wvy n ASN 579 Ca 0.00 -2.03 0.13 0.00 -0.03 0.00 0.00 54.58 52.65 2wvy n ASN 579 Cb 0.00 -0.36 0.40 0.00 -0.61 0.00 0.00 39.78 39.21 2wvy n ASN 579 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 2wvy h TYR 580 N 3.01 0.00 -1.66 3.10 0.05 -1.62 -3.26 116.97 116.59 2wvy h TYR 580 Ca 0.00 0.00 0.48 0.00 0.05 0.00 0.00 58.73 59.26 2wvy h TYR 580 Cb 0.73 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.40 2wvy h TYR 580 CO 0.37 0.00 1.24 0.78 -1.05 0.00 0.00 178.16 179.50 2wvy h GLY 581 N 4.33 0.00 -0.64 3.88 0.00 -1.76 0.41 103.07 109.30 2wvy h GLY 581 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.56 2wvy h GLY 581 CO 0.00 0.00 0.06 -0.91 0.00 0.00 0.00 176.54 175.69 2wvy h THR 582 N 0.00 0.20 0.00 4.70 1.35 -1.93 4.92 112.91 122.14 2wvy h THR 582 Ca 0.79 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 66.62 2wvy h THR 582 Cb 3.26 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 2wvy h THR 582 CO -0.01 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 175.28 2wvy n TYR 583 N -5.38 0.00 -0.60 4.73 -0.00 0.14 -4.90 117.16 111.15 2wvy n TYR 583 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.09 2wvy n TYR 583 Cb 0.64 -0.09 0.00 0.00 -0.00 0.00 0.00 39.34 39.89 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 -1.02 -2.73 0.27 2.98 0.00 1.61 -4.50 105.19 101.79 2wvy n GLY 584 Ca 0.01 -1.92 0.14 0.00 0.00 0.00 0.00 46.02 44.25 2wvy n GLY 584 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2wvy h PHE 585 N 0.00 0.00 -0.82 1.61 3.57 -1.91 -0.60 116.94 118.79 2wvy h PHE 585 Ca 0.00 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.68 2wvy h PHE 585 Cb 0.00 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 2wvy h PHE 585 CO 0.00 0.10 0.55 -0.39 -2.23 0.00 0.00 178.31 176.34 2wvy h VAL 586 N 0.00 0.73 -0.29 1.41 -1.51 -1.93 0.80 116.25 115.46 2wvy h VAL 586 Ca -0.00 -0.13 -0.09 0.00 -1.23 0.00 0.00 66.70 65.24 2wvy h VAL 586 Cb 0.34 0.31 -0.01 0.00 -2.13 0.00 0.00 31.29 29.80 2wvy h VAL 586 CO 0.01 0.07 -0.22 0.16 -1.23 0.00 0.00 177.57 176.37 2wvy h ILE 587 N 0.38 1.26 -0.30 7.19 -0.00 -1.33 -2.91 117.51 121.80 2wvy h ILE 587 Ca 0.42 -1.22 -0.09 0.00 -0.00 0.00 0.00 64.86 63.97 2wvy h ILE 587 Cb 1.04 1.28 -0.02 0.00 -0.00 0.00 0.00 36.82 39.12 2wvy h ILE 587 CO -0.14 0.39 -0.18 1.12 -0.00 0.00 0.00 178.15 179.35 2wvy h HIS 588 N 0.47 0.60 0.06 0.16 2.07 0.54 -2.75 115.15 116.30 2wvy h HIS 588 Ca 0.07 -0.11 -0.00 0.00 -2.85 0.00 0.00 60.37 57.48 2wvy h HIS 588 Cb 0.64 -0.15 0.00 0.00 2.57 0.00 0.00 27.41 30.46 2wvy h HIS 588 CO 0.02 0.70 -0.03 1.49 -3.07 0.00 0.00 177.93 177.04 2wvy h GLU 589 N 0.49 -0.08 -0.73 5.12 4.22 -1.13 -3.12 114.58 119.35 2wvy h GLU 589 Ca 0.08 0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.55 2wvy h GLU 589 Cb 0.59 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 2wvy h GLU 589 CO 0.04 0.46 0.49 0.82 -2.18 0.00 0.00 179.01 178.64 2wvy h ILE 590 N -0.68 1.16 -0.95 2.32 5.03 -1.58 -2.13 117.51 120.68 2wvy h ILE 590 Ca -0.01 -0.33 0.01 0.00 -0.12 0.00 0.00 64.86 64.41 2wvy h ILE 590 Cb 0.57 0.12 -0.05 0.00 -3.03 0.00 0.00 36.82 34.44 2wvy h ILE 590 CO 0.01 0.17 0.61 0.00 -0.68 0.00 0.00 178.15 178.27 2wvy h ALA 591 N 1.56 1.29 -0.57 1.87 0.00 -1.53 -2.78 119.26 119.10 2wvy h ALA 591 Ca 0.28 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 2wvy h ALA 591 Cb -0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 2wvy h ALA 591 CO -0.07 0.64 -0.07 0.93 0.00 0.00 0.00 179.25 180.68 2wvy h GLU 592 N 1.29 1.06 -0.44 0.00 5.08 -1.32 -2.19 114.58 118.06 2wvy h GLU 592 Ca 0.35 -0.37 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 2wvy h GLU 592 Cb -0.12 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 28.96 2wvy h GLU 592 CO -0.07 1.07 -0.16 0.52 -1.00 0.00 0.00 179.01 179.37 2wvy h MET 593 N 0.95 -0.07 -0.18 2.33 2.86 -1.35 -0.81 114.93 118.65 2wvy h MET 593 Ca 0.15 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 2wvy h MET 593 Cb 0.64 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 2wvy h MET 593 CO 0.04 -0.04 0.09 0.28 1.06 0.00 0.00 176.91 178.34 2wvy h VAL 594 N -0.07 1.13 -0.76 -2.22 2.07 -1.36 1.52 116.25 116.56 2wvy h VAL 594 Ca 0.21 -0.37 0.09 0.00 0.82 0.00 0.00 66.70 67.46 2wvy h VAL 594 Cb 0.40 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2wvy h VAL 594 CO -0.49 0.12 0.50 0.00 0.02 0.00 0.00 177.57 177.72 2wvy h ALA 595 N 0.96 1.80 -0.06 1.67 0.00 -0.86 0.27 119.26 123.05 2wvy h ALA 595 Ca 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2wvy h ALA 595 Cb 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wvy h ALA 595 CO -0.01 0.04 -0.12 -0.07 0.00 0.00 0.00 179.25 179.09 2wvy h LEU 596 N 0.68 0.21 0.00 0.00 3.38 -0.63 -3.30 115.31 115.64 2wvy h LEU 596 Ca 0.35 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2wvy h LEU 596 Cb 0.45 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2wvy h LEU 596 CO -0.13 0.74 0.04 0.59 0.09 0.00 0.00 178.44 179.77 2wvy n ASN 597 N -4.64 0.00 -0.00 -0.43 3.02 0.51 0.15 115.26 113.87 2wvy n ASN 597 Ca -0.08 0.32 0.05 0.00 -0.03 0.00 0.00 54.58 54.84 2wvy n ASN 597 Cb 0.36 -0.32 -0.08 0.00 -0.61 0.00 0.00 39.78 39.14 2wvy n ASN 597 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2wvy n MET 598 N -1.30 0.97 -3.33 3.52 0.00 -0.73 -5.02 117.12 111.23 2wvy n MET 598 Ca 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 57.70 57.47 2wvy n MET 598 Cb 0.04 -1.20 0.04 0.00 0.00 0.00 0.00 33.22 32.10 2wvy n MET 598 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wvy n GLY 599 N 1.77 -1.16 0.31 3.03 0.00 0.40 -4.97 105.19 104.57 2wvy n GLY 599 Ca -0.01 0.53 -0.05 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.77 1.05 -5.11 1.61 7.50 -1.82 -3.37 115.11 114.21 2wvy h GLN 600 Ca -0.45 -0.11 -0.64 0.00 0.50 0.00 0.00 58.65 57.95 2wvy h GLN 600 Cb 1.24 -0.21 -0.22 0.00 0.05 0.00 0.00 27.48 28.34 2wvy h GLN 600 CO 0.40 0.77 -0.64 -0.47 -1.50 0.00 0.00 178.83 177.39 2wvy s TYR 601 N -5.90 3.08 -0.77 2.96 5.04 -0.73 -4.90 117.35 116.12 2wvy s TYR 601 Ca -0.13 -0.36 -0.16 0.00 -2.44 0.00 0.00 57.07 53.99 2wvy s TYR 601 Cb 0.15 -2.12 0.17 0.00 0.35 0.00 0.00 41.96 40.52 2wvy s TYR 601 CO 0.80 -0.20 0.79 0.00 -1.34 0.00 0.00 175.55 175.60 2wvy s ALA 602 N 1.03 3.80 0.03 3.97 0.00 -1.26 -5.01 121.76 124.31 2wvy s ALA 602 Ca 0.03 -2.96 -0.34 0.00 0.00 0.00 0.00 51.96 48.68 2wvy s ALA 602 Cb -0.14 -3.58 -0.13 0.00 0.00 0.00 0.00 23.12 19.26 2wvy s ALA 602 CO 0.02 -2.38 1.71 1.58 0.00 0.00 0.00 175.76 176.68 2wvy n HIS 603 N 4.95 2.25 0.00 0.00 -0.00 -1.26 -1.00 115.22 120.16 2wvy n HIS 603 Ca 0.09 0.17 0.00 0.00 0.46 0.00 0.00 57.72 58.44 2wvy n HIS 603 Cb 0.46 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 27.74 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 3.84 1.55 3.67 1.57 0.00 -1.26 -3.78 105.19 110.77 2wvy n GLY 604 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.70 6.85 0.14 1.61 2.47 -0.17 -4.87 114.94 119.27 2wvy s ASN 605 Ca 0.00 1.93 -0.23 0.00 0.42 0.00 0.00 52.86 54.98 2wvy s ASN 605 Cb 0.00 -2.54 0.01 0.00 -1.45 0.00 0.00 41.25 37.27 2wvy s ASN 605 CO 0.00 -0.80 1.63 1.56 -3.72 0.00 0.00 177.10 175.77 2wvy h GLN 606 N 8.53 -0.26 0.00 0.43 7.50 -1.89 -1.96 115.11 127.45 2wvy h GLN 606 Ca -0.33 0.02 0.00 0.00 0.50 0.00 0.00 58.65 58.84 2wvy h GLN 606 Cb 1.14 0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.73 2wvy h GLN 606 CO 0.95 -0.18 0.00 -0.35 -1.50 0.00 0.00 178.83 177.75 2wvy n PRO 607 N -5.38 0.06 -0.18 1.46 -0.04 -1.26 -1.80 135.00 127.87 2wvy n PRO 607 Ca -0.02 0.48 0.05 0.00 -0.04 0.00 0.00 63.50 63.98 2wvy n PRO 607 Cb 0.29 -1.68 0.14 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.81 1.19 0.14 0.52 0.24 -0.75 -4.08 118.33 113.79 2wvy n VAL 608 Ca 0.00 -1.15 0.04 0.00 -2.04 0.00 0.00 64.34 61.19 2wvy n VAL 608 Cb 0.07 0.38 0.45 0.00 -1.47 0.00 0.00 33.84 33.27 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 1.58 0.20 0.00 7.34 4.20 -1.26 -1.44 115.11 125.73 2wvy h GLN 609 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2wvy h GLN 609 Cb 0.79 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2wvy h GLN 609 CO 0.03 0.28 -0.41 -2.39 -0.67 0.00 0.00 178.83 175.67 2wvy n HIS 610 N -4.35 0.41 -0.13 2.96 1.44 -1.26 -4.52 115.22 109.77 2wvy n HIS 610 Ca -0.01 0.12 0.07 0.00 -2.01 0.00 0.00 57.72 55.89 2wvy n HIS 610 Cb 0.21 -0.59 0.39 0.00 0.12 0.00 0.00 29.99 30.12 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 2.69 1.75 -0.03 1.59 0.00 -1.57 -0.13 119.26 123.56 2wvy h ALA 611 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2wvy h ALA 611 Cb 0.65 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wvy h ALA 611 CO 0.00 0.16 -0.06 0.82 0.00 0.00 0.00 179.25 180.17 2wvy h ILE 612 N 0.67 1.06 0.00 0.00 2.04 -1.79 -1.56 117.51 117.93 2wvy h ILE 612 Ca 0.27 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2wvy h ILE 612 Cb 0.22 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2wvy h ILE 612 CO -0.08 0.08 0.00 -1.22 0.00 0.00 0.00 178.15 176.93 2wvy n TYR 613 N -4.44 0.00 0.22 1.37 4.01 -0.06 -3.78 117.16 114.48 2wvy n TYR 613 Ca -0.02 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.81 2wvy n TYR 613 Cb 0.16 -0.32 0.48 0.00 -0.31 0.00 0.00 39.34 39.35 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 -1.92 7.72 3.38 -1.35 -2.09 115.31 121.05 2wvy h LEU 614 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 2wvy h LEU 614 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2wvy h LEU 614 CO 0.00 0.25 0.29 1.88 0.09 0.00 0.00 178.44 180.95 2wvy h TYR 615 N 0.00 0.10 -0.13 1.13 0.05 -1.77 -0.32 116.97 116.03 2wvy h TYR 615 Ca -0.00 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.82 2wvy h TYR 615 Cb 0.69 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.39 2wvy h TYR 615 CO 0.00 0.05 0.19 -0.44 -1.05 0.00 0.00 178.16 176.90 2wvy h ASP 616 N 0.09 0.00 0.20 3.88 3.32 -1.62 -2.33 116.42 119.96 2wvy h ASP 616 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2wvy h ASP 616 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2wvy h ASP 616 CO -0.02 0.00 -0.93 -1.22 -1.72 0.00 0.00 179.24 175.35 2wvy n TYR 617 N -3.57 0.05 -1.63 4.55 4.01 -0.13 -4.39 117.16 116.04 2wvy n TYR 617 Ca 0.00 0.01 0.05 0.00 -0.16 0.00 0.00 57.90 57.81 2wvy n TYR 617 Cb 0.29 -0.17 0.08 0.00 -0.31 0.00 0.00 39.34 39.23 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 -1.62 0.95 -0.28 -0.72 -5.35 -0.95 -4.90 119.36 106.49 2wvy n ILE 618 Ca 0.04 -1.27 0.00 0.00 -0.27 0.00 0.00 62.75 61.24 2wvy n ILE 618 Cb 0.36 0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 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 -0.63 0.84 2.34 3.28 0.00 -1.04 -4.94 105.19 105.04 2wvy n GLY 619 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.25 1.48 0.25 1.61 6.02 -0.92 -4.59 117.38 118.98 2wvy n GLN 620 Ca 0.00 -3.76 0.08 0.00 -0.01 0.00 0.00 57.00 53.30 2wvy n GLN 620 Cb 0.00 -1.70 0.61 0.00 1.02 0.00 0.00 30.24 30.18 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 3.58 0.00 -0.31 -1.09 0.13 -1.81 -1.32 132.00 131.17 2wvy h PRO 621 Ca 0.11 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.33 2wvy h PRO 621 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 2wvy h PRO 621 CO 0.59 0.08 0.24 0.11 -0.23 0.00 0.00 178.00 178.79 2wvy h TRP 622 N 0.00 0.00 -0.19 1.56 0.09 -1.90 0.24 115.95 115.76 2wvy h TRP 622 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 58.89 58.79 2wvy h TRP 622 Cb 0.15 0.00 0.01 0.00 0.08 0.00 0.00 29.16 29.40 2wvy h TRP 622 CO 0.00 0.00 -0.61 0.87 0.09 0.00 0.00 178.44 178.79 2wvy h LYS 623 N 0.00 0.75 -0.54 0.12 1.57 -1.64 -0.78 116.57 116.06 2wvy h LYS 623 Ca 0.15 -0.55 0.07 0.00 -1.87 0.00 0.00 60.65 58.45 2wvy h LYS 623 Cb 0.63 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.97 2wvy h LYS 623 CO -0.00 1.17 0.21 1.15 -0.57 0.00 0.00 179.45 181.41 2wvy h THR 624 N 0.47 0.84 -0.24 -0.16 2.02 -1.37 -1.09 112.91 113.37 2wvy h THR 624 Ca -0.02 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 2wvy h THR 624 Cb 1.23 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 2wvy h THR 624 CO 0.13 0.07 0.12 1.56 0.37 0.00 0.00 175.52 177.77 2wvy h GLN 625 N 0.41 0.35 0.53 6.66 4.20 -0.69 -1.91 115.11 124.67 2wvy h GLN 625 Ca 0.26 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 2wvy h GLN 625 Cb 0.27 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 27.99 2wvy h GLN 625 CO -0.25 0.35 -0.26 -0.92 -0.67 0.00 0.00 178.83 177.09 2wvy h TYR 626 N 0.27 -0.67 -0.52 2.96 3.20 -1.00 -2.69 116.97 118.52 2wvy h TYR 626 Ca 0.08 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 2wvy h TYR 626 Cb 0.12 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 2wvy h TYR 626 CO -0.02 -0.39 0.12 0.45 -1.64 0.00 0.00 178.16 176.68 2wvy h HIS 627 N -0.78 0.81 0.02 -3.82 3.86 -1.15 -1.23 115.15 112.86 2wvy h HIS 627 Ca -0.07 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.06 2wvy h HIS 627 Cb 0.58 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.81 2wvy h HIS 627 CO -0.02 0.69 -0.01 1.25 0.86 0.00 0.00 177.93 180.70 2wvy h LEU 628 N 0.76 -0.02 -0.96 2.43 7.12 -1.38 -0.56 115.31 122.70 2wvy h LEU 628 Ca 0.17 -0.12 -0.10 0.00 0.13 0.00 0.00 57.88 57.96 2wvy h LEU 628 Cb 0.29 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.41 2wvy h LEU 628 CO -0.00 0.11 -0.28 0.03 -0.13 0.00 0.00 178.44 178.17 2wvy h ARG 629 N -0.15 0.42 0.05 1.25 2.47 -1.26 -1.21 114.38 115.94 2wvy h ARG 629 Ca -0.00 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 2wvy h ARG 629 Cb 0.14 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 2wvy h ARG 629 CO 0.00 0.67 -0.06 -0.97 0.56 0.00 0.00 179.97 180.17 2wvy h ASN 630 N 0.37 -0.16 -0.46 7.04 -1.24 -1.00 -2.08 115.58 118.05 2wvy h ASN 630 Ca 0.05 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.08 2wvy h ASN 630 Cb 0.69 0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.77 2wvy h ASN 630 CO 0.05 -0.09 0.30 0.58 -1.29 0.00 0.00 177.43 176.98 2wvy h VAL 631 N -0.13 1.13 -0.59 2.57 2.07 -0.61 -0.92 116.25 119.77 2wvy h VAL 631 Ca 0.01 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.36 2wvy h VAL 631 Cb 0.13 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 2wvy h VAL 631 CO -0.03 0.12 0.26 0.24 0.02 0.00 0.00 177.57 178.18 2wvy h MET 632 N 0.62 0.46 -0.06 1.57 2.86 -1.20 -1.18 114.93 118.00 2wvy h MET 632 Ca 0.17 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.64 2wvy h MET 632 Cb -0.05 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 2wvy h MET 632 CO -0.04 0.30 -0.59 -0.44 1.06 0.00 0.00 176.91 177.21 2wvy h ASP 633 N 0.47 0.24 0.00 1.22 3.32 -1.02 -3.36 116.42 117.30 2wvy h ASP 633 Ca 0.28 -0.13 -0.15 0.00 0.02 0.00 0.00 57.03 57.05 2wvy h ASP 633 Cb 0.28 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2wvy h ASP 633 CO -0.24 0.78 -1.95 0.29 -1.72 0.00 0.00 179.24 176.39 2wvy n LYS 634 N -3.88 0.93 -0.13 3.56 5.02 -0.38 -4.56 118.16 118.72 2wvy n LYS 634 Ca -0.02 -0.09 0.05 0.00 -2.02 0.00 0.00 58.31 56.23 2wvy n LYS 634 Cb 0.61 -1.42 0.12 0.00 -0.02 0.00 0.00 35.03 34.32 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 -2.35 2.65 -4.04 -0.35 4.77 -0.49 -4.94 117.00 112.25 2wvy n LEU 635 Ca -0.15 -1.82 -0.17 0.00 -0.03 0.00 0.00 56.01 53.84 2wvy n LEU 635 Cb 0.74 -0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 41.52 2wvy n LEU 635 CO 0.36 0.64 -0.43 -0.31 -1.33 0.00 0.00 177.39 176.32 2wvy s TYR 636 N -0.97 0.80 0.30 -1.77 2.02 -1.26 -1.50 117.35 114.97 2wvy s TYR 636 Ca 0.19 -0.24 -0.12 0.00 -0.37 0.00 0.00 57.07 56.53 2wvy s TYR 636 Cb 0.10 -0.50 0.01 0.00 -0.40 0.00 0.00 41.96 41.18 2wvy s TYR 636 CO 0.14 -0.01 0.57 0.54 -1.57 0.00 0.00 175.55 175.22 2wvy s ASN 637 N -0.60 0.14 0.00 2.29 2.20 -0.06 -4.90 114.94 114.01 2wvy s ASN 637 Ca 0.01 -1.06 0.27 0.00 -0.94 0.00 0.00 52.86 51.13 2wvy s ASN 637 Cb -0.05 0.68 0.76 0.00 -2.00 0.00 0.00 41.25 40.64 2wvy s ASN 637 CO 0.00 -1.32 1.58 -1.54 -2.94 0.00 0.00 177.10 172.89 2wvy n SER 638 N -0.83 1.94 -3.02 3.54 3.41 -1.26 -4.25 113.62 113.15 2wvy n SER 638 Ca -0.03 -1.63 -0.16 0.00 -0.26 0.00 0.00 58.87 56.80 2wvy n SER 638 Cb 0.61 0.01 0.11 0.00 -0.26 0.00 0.00 64.21 64.69 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 1.24 -1.46 0.24 5.00 0.00 -1.26 -4.47 105.19 104.47 2wvy n GLY 639 Ca 0.17 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.04 0.00 -0.99 1.61 4.64 -1.93 -1.11 113.55 114.74 2wvy h SER 640 Ca -0.23 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.51 2wvy h SER 640 Cb 0.64 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.43 2wvy h SER 640 CO 0.16 0.18 0.75 0.29 -0.87 0.00 0.00 176.83 177.34 2wvy n LYS 641 N -4.05 2.43 0.01 4.77 5.02 -1.26 -1.67 118.16 123.41 2wvy n LYS 641 Ca -0.02 -3.09 0.06 0.00 -2.02 0.00 0.00 58.31 53.24 2wvy n LYS 641 Cb 0.25 -2.21 0.47 0.00 -0.02 0.00 0.00 35.03 33.52 2wvy n LYS 641 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2wvy h GLY 642 N 1.48 0.51 -7.39 0.72 0.00 -1.37 -3.27 103.07 93.76 2wvy h GLY 642 Ca 0.62 -0.18 -0.69 0.00 0.00 0.00 0.00 47.33 47.08 2wvy h GLY 642 CO 1.31 0.16 0.60 -0.19 0.00 0.00 0.00 176.54 178.43 2wvy s TYR 643 N -5.43 3.05 -0.89 5.60 2.02 -1.26 -0.88 117.35 119.56 2wvy s TYR 643 Ca -0.08 -1.18 0.26 0.00 -0.37 0.00 0.00 57.07 55.71 2wvy s TYR 643 Cb 0.18 -4.21 0.77 0.00 -0.40 0.00 0.00 41.96 38.30 2wvy s TYR 643 CO 0.73 -1.46 1.63 0.00 -1.57 0.00 0.00 175.55 174.88 2wvy s GLY 645 N -3.22 1.61 0.37 0.00 0.00 -1.25 -4.85 107.32 99.97 2wvy s GLY 645 Ca 0.11 1.57 0.08 0.00 0.00 0.00 0.00 44.72 46.49 2wvy s GLY 645 CO 0.63 2.73 1.92 -0.55 0.00 0.00 0.00 173.10 177.83 2wvy h ASP 646 N 5.96 0.61 -0.52 1.64 3.32 -1.88 0.13 116.42 125.68 2wvy h ASP 646 Ca -0.45 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2wvy h ASP 646 Cb 1.21 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.65 2wvy h ASP 646 CO 0.89 0.36 0.00 -0.62 -1.72 0.00 0.00 179.24 178.14 2wvy n GLU 647 N -4.50 3.68 -3.81 3.56 1.02 -1.26 -4.84 120.64 114.49 2wvy n GLU 647 Ca 0.13 -2.49 -0.37 0.00 -0.02 0.00 0.00 57.16 54.42 2wvy n GLU 647 Cb 0.35 -1.93 -0.13 0.00 -0.02 0.00 0.00 31.44 29.71 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 -0.75 5.15 -0.19 1.62 2.15 0.46 -4.39 116.67 120.72 2wvy s ASP 648 Ca 0.44 -1.15 0.16 0.00 0.43 0.00 0.00 52.55 52.43 2wvy s ASP 648 Cb 0.30 -1.81 0.59 0.00 -0.30 0.00 0.00 42.92 41.70 2wvy s ASP 648 CO 0.18 -0.29 1.49 0.59 -0.17 0.00 0.00 175.17 176.97 2wvy n ASN 649 N 4.75 4.27 0.00 -0.34 5.03 -1.26 -4.59 115.26 123.12 2wvy n ASN 649 Ca -0.13 -3.01 0.00 0.00 0.87 0.00 0.00 54.58 52.31 2wvy n ASN 649 Cb 0.44 -0.58 0.00 0.00 -1.02 0.00 0.00 39.78 38.63 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 -0.28 0.74 0.00 7.41 0.00 -1.26 -4.08 105.19 107.71 2wvy n GLY 650 Ca 0.23 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.01 0.32 -0.30 1.61 0.00 -1.26 -2.41 117.38 114.33 2wvy n GLN 651 Ca 0.00 0.09 0.10 0.00 0.00 0.00 0.00 57.00 57.19 2wvy n GLN 651 Cb 0.00 -1.50 0.28 0.00 0.00 0.00 0.00 30.24 29.02 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 -1.18 0.79 -0.11 -0.39 -2.24 -1.26 -4.61 114.28 105.28 2wvy n THR 652 Ca 0.09 -0.82 -0.06 0.00 -2.27 0.00 0.00 64.05 61.00 2wvy n THR 652 Cb 0.09 0.48 0.01 0.00 -2.10 0.00 0.00 70.33 68.81 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 3.73 -0.53 0.30 3.42 0.02 -1.81 -1.18 113.55 117.51 2wvy h SER 653 Ca 0.00 0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 2wvy h SER 653 Cb 0.85 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 2wvy h SER 653 CO 0.00 -0.19 -0.48 0.00 -1.14 0.00 0.00 176.83 175.02 2wvy h ALA 654 N 1.22 1.03 -0.99 3.77 0.00 -1.82 -2.04 119.26 120.44 2wvy h ALA 654 Ca 0.18 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2wvy h ALA 654 Cb 0.36 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2wvy h ALA 654 CO -0.43 0.64 0.66 2.35 0.00 0.00 0.00 179.25 182.47 2wvy h TRP 655 N 0.18 1.25 -0.27 0.00 7.01 -1.66 -1.20 115.95 121.26 2wvy h TRP 655 Ca 0.01 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.94 2wvy h TRP 655 Cb 0.91 -0.42 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 2wvy h TRP 655 CO 0.01 0.79 -0.21 -0.92 -2.79 0.00 0.00 178.44 175.32 2wvy h TYR 656 N 1.35 0.73 -0.01 2.65 3.20 -0.83 -0.38 116.97 123.68 2wvy h TYR 656 Ca 0.36 -0.21 0.01 0.00 3.14 0.00 0.00 58.73 62.04 2wvy h TYR 656 Cb -0.15 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 2wvy h TYR 656 CO -0.00 0.91 -0.04 0.28 -1.64 0.00 0.00 178.16 177.67 2wvy h VAL 657 N 0.34 0.90 0.02 1.81 2.07 -1.08 0.16 116.25 120.48 2wvy h VAL 657 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2wvy h VAL 657 Cb 0.76 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2wvy h VAL 657 CO 0.06 0.00 -0.01 -0.26 0.02 0.00 0.00 177.57 177.38 2wvy h PHE 658 N -0.06 -0.02 -0.93 1.57 0.04 -1.24 -2.48 116.94 113.82 2wvy h PHE 658 Ca 0.02 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2wvy h PHE 658 Cb 0.08 0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.20 2wvy h PHE 658 CO -0.11 0.04 0.59 0.77 -0.60 0.00 0.00 178.31 178.99 2wvy h SER 659 N -0.08 1.09 -0.13 2.17 0.02 -0.80 -0.55 113.55 115.27 2wvy h SER 659 Ca -0.00 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 2wvy h SER 659 Cb 0.07 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 2wvy h SER 659 CO 0.00 0.82 -0.06 0.00 -1.14 0.00 0.00 176.83 176.45 2wvy h ALA 660 N 1.32 1.40 0.00 3.77 0.00 -0.63 -1.87 119.26 123.25 2wvy h ALA 660 Ca 0.34 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2wvy h ALA 660 Cb -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2wvy h ALA 660 CO -0.07 0.42 -0.24 0.52 0.00 0.00 0.00 179.25 179.88 2wvy h MET 661 N 0.40 0.00 0.00 0.00 2.07 -0.66 -0.92 114.93 115.82 2wvy h MET 661 Ca 0.08 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.71 2wvy h MET 661 Cb 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.10 2wvy h MET 661 CO 0.02 0.24 0.00 0.41 1.07 0.00 0.00 176.91 178.65 2wvy n GLY 662 N 0.25 1.01 3.44 8.32 0.00 -0.60 -4.65 105.19 112.96 2wvy n GLY 662 Ca 0.00 0.00 -0.10 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 -0.26 -0.17 1.61 -0.12 -1.11 0.22 117.98 116.15 2wvy s PHE 663 Ca 0.00 -0.04 -0.15 0.00 -0.05 0.00 0.00 56.93 56.69 2wvy s PHE 663 Cb 0.00 0.41 0.05 0.00 -0.63 0.00 0.00 43.02 42.84 2wvy s PHE 663 CO 0.00 -0.84 0.45 -0.47 -0.05 0.00 0.00 175.22 174.30 2wvy s TYR 664 N -3.82 -0.51 -1.30 3.49 5.04 0.38 -3.93 117.35 116.71 2wvy s TYR 664 Ca 0.05 1.22 -0.17 0.00 -2.44 0.00 0.00 57.07 55.73 2wvy s TYR 664 Cb -0.00 0.18 0.09 0.00 0.35 0.00 0.00 41.96 42.58 2wvy s TYR 664 CO -0.08 -0.25 1.72 -0.35 -1.34 0.00 0.00 175.55 175.25 2wvy n PRO 665 N 3.02 3.21 -0.22 4.97 -0.04 -1.26 -0.11 135.00 144.57 2wvy n PRO 665 Ca -0.14 -3.34 0.05 0.00 -0.04 0.00 0.00 63.50 60.03 2wvy n PRO 665 Cb 0.57 -3.41 0.31 0.00 -0.04 0.00 0.00 33.50 30.93 2wvy n PRO 665 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wvy h VAL 666 N 5.30 1.05 -2.80 0.52 2.07 -1.89 -3.36 116.25 117.14 2wvy h VAL 666 Ca 0.44 -0.30 -0.60 0.00 0.82 0.00 0.00 66.70 67.05 2wvy h VAL 666 Cb 0.85 0.11 -0.40 0.00 -1.52 0.00 0.00 31.29 30.33 2wvy h VAL 666 CO 1.45 0.16 -0.78 0.00 0.02 0.00 0.00 177.57 178.42 2wvy n PRO 668 N 3.19 2.40 0.00 0.00 -0.02 -1.26 -1.27 135.00 138.04 2wvy n PRO 668 Ca 0.16 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 2wvy n PRO 668 Cb 0.38 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 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 0.56 1.90 3.16 -1.23 0.00 -1.26 -4.83 105.19 103.50 2wvy n GLY 669 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.86 2.75 -1.04 1.61 -2.45 -0.39 -4.78 119.30 114.13 2wvy s MET 670 Ca 0.00 -1.02 -0.17 0.00 -1.25 0.00 0.00 55.69 53.25 2wvy s MET 670 Cb 0.00 -2.90 -0.08 0.00 1.25 0.00 0.00 34.83 33.10 2wvy s MET 670 CO 0.00 -0.40 2.10 -0.35 1.05 0.00 0.00 175.02 177.42 2wvy n PRO 671 N 4.62 2.10 -4.00 4.11 -0.04 -1.26 -4.80 135.00 135.73 2wvy n PRO 671 Ca -0.17 -2.03 -0.10 0.00 -0.04 0.00 0.00 63.50 61.16 2wvy n PRO 671 Cb 0.47 -2.96 -0.11 0.00 -0.04 0.00 0.00 33.50 30.86 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 4.10 0.37 -0.12 0.54 2.02 -1.26 -1.22 118.70 123.13 2wvy s GLU 672 Ca 0.53 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.87 2wvy s GLU 672 Cb 0.14 -0.01 0.02 0.00 0.10 0.00 0.00 34.13 34.38 2wvy s GLU 672 CO 0.03 -0.02 -0.13 0.71 0.02 0.00 0.00 175.26 175.87 2wvy s TYR 673 N -1.43 1.93 0.31 1.61 2.02 0.11 -4.51 117.35 117.38 2wvy s TYR 673 Ca -0.14 -0.99 -0.29 0.00 -0.37 0.00 0.00 57.07 55.28 2wvy s TYR 673 Cb -0.10 -1.44 -0.10 0.00 -0.40 0.00 0.00 41.96 39.92 2wvy s TYR 673 CO -0.01 -0.55 1.32 0.00 -1.57 0.00 0.00 175.55 174.75 2wvy s ALA 674 N 1.32 3.52 -0.04 3.71 0.00 0.85 -1.30 121.76 129.82 2wvy s ALA 674 Ca 0.00 1.26 -0.22 0.00 0.00 0.00 0.00 51.96 52.99 2wvy s ALA 674 Cb -0.14 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 2wvy s ALA 674 CO -0.06 -0.64 0.66 0.42 0.00 0.00 0.00 175.76 176.14 2wvy s ILE 675 N -0.87 4.99 0.00 0.00 1.01 -0.07 -0.47 121.20 125.79 2wvy s ILE 675 Ca 0.51 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.54 2wvy s ILE 675 Cb -0.40 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.07 2wvy s ILE 675 CO 0.50 0.31 0.00 0.61 0.00 0.00 0.00 174.94 176.36 2wvy n GLY 676 N 2.87 0.83 3.50 6.18 0.00 0.13 -4.91 105.19 113.79 2wvy n GLY 676 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.13 -0.78 0.57 1.61 0.15 -1.25 -4.61 113.70 109.25 2wvy s SER 677 Ca 0.00 1.30 -0.18 0.00 0.70 0.00 0.00 55.95 57.77 2wvy s SER 677 Cb 0.00 1.45 -0.05 0.00 -1.71 0.00 0.00 66.02 65.71 2wvy s SER 677 CO 0.00 -0.22 1.08 -2.16 1.20 0.00 0.00 173.24 173.14 2wvy s PRO 678 N 2.02 3.35 0.02 5.44 0.04 -1.26 -4.49 135.00 140.12 2wvy s PRO 678 Ca -0.08 1.38 0.14 0.00 0.04 0.00 0.00 61.00 62.48 2wvy s PRO 678 Cb -0.09 -2.03 -0.19 0.00 0.04 0.00 0.00 34.50 32.24 2wvy s PRO 678 CO -0.17 -0.81 0.79 1.25 0.04 0.00 0.00 177.00 178.11 2wvy h LEU 679 N 0.84 0.00-10.12 -3.56 5.85 -1.38 -3.48 115.31 103.46 2wvy h LEU 679 Ca -0.48 0.00 -0.49 0.00 0.84 0.00 0.00 57.88 57.75 2wvy h LEU 679 Cb 1.24 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 2wvy h LEU 679 CO 0.57 0.83 -0.41 -0.36 -0.34 0.00 0.00 178.44 178.74 2wvy s PHE 680 N -2.73 2.81 0.06 1.25 0.08 -1.26 -4.92 117.98 113.27 2wvy s PHE 680 Ca -0.03 -0.39 0.32 0.00 0.12 0.00 0.00 56.93 56.95 2wvy s PHE 680 Cb 0.08 -1.99 1.26 0.00 -0.57 0.00 0.00 43.02 41.80 2wvy s PHE 680 CO 0.82 0.02 1.95 0.87 -0.10 0.00 0.00 175.22 178.77 2wvy h LYS 681 N 1.12 0.00 -1.88 0.44 1.57 -0.85 -3.41 116.57 113.57 2wvy h LYS 681 Ca -0.43 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.39 2wvy h LYS 681 Cb 1.26 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.35 2wvy h LYS 681 CO 0.57 0.01 0.13 0.21 -0.57 0.00 0.00 179.45 179.81 2wvy s LYS 682 N -3.63 0.64 -0.01 3.15 2.20 -0.85 0.18 119.74 121.42 2wvy s LYS 682 Ca 0.02 1.05 0.05 0.00 -0.36 0.00 0.00 55.97 56.73 2wvy s LYS 682 Cb 0.09 0.16 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 2wvy s LYS 682 CO 0.56 -0.13 -0.15 0.14 -0.36 0.00 0.00 175.35 175.41 2wvy s VAL 683 N 1.37 1.22 -0.17 4.02 -7.23 -0.62 -0.66 120.40 118.32 2wvy s VAL 683 Ca -0.08 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 59.39 2wvy s VAL 683 Cb -0.05 -1.02 0.02 0.00 0.56 0.00 0.00 36.38 35.89 2wvy s VAL 683 CO -0.16 0.31 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.86 2wvy s THR 684 N -0.42 1.99 -0.26 5.32 2.01 -0.58 -0.69 115.64 123.00 2wvy s THR 684 Ca 0.06 -0.89 -0.14 0.00 0.31 0.00 0.00 61.69 61.02 2wvy s THR 684 Cb -0.06 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 2wvy s THR 684 CO -0.00 0.53 0.33 -0.76 -0.69 0.00 0.00 174.62 174.02 2wvy s LEU 685 N 1.31 4.05 -0.46 4.42 1.02 0.41 -0.53 118.68 128.89 2wvy s LEU 685 Ca 0.05 0.24 -0.21 0.00 0.02 0.00 0.00 54.13 54.23 2wvy s LEU 685 Cb -0.13 -2.36 0.03 0.00 0.02 0.00 0.00 46.19 43.75 2wvy s LEU 685 CO -0.12 -0.14 0.67 -1.00 0.02 0.00 0.00 176.35 175.78 2wvy s HIS 686 N 1.89 3.03 0.50 0.29 3.76 0.29 -1.06 115.29 123.99 2wvy s HIS 686 Ca 0.13 -0.16 0.07 0.00 -0.15 0.00 0.00 55.06 54.96 2wvy s HIS 686 Cb -0.16 -3.46 0.03 0.00 1.11 0.00 0.00 32.58 30.10 2wvy s HIS 686 CO 0.10 -0.96 0.48 -0.51 -0.85 0.00 0.00 174.74 173.00 2wvy s LEU 687 N 2.89 3.08 0.75 0.89 1.43 -0.08 -4.88 118.68 122.76 2wvy s LEU 687 Ca 0.22 -0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 52.23 2wvy s LEU 687 Cb -0.15 -1.66 0.05 0.00 0.03 0.00 0.00 46.19 44.46 2wvy s LEU 687 CO 0.17 -0.97 1.17 -2.84 0.23 0.00 0.00 176.35 174.12 2wvy s PRO 688 N -4.31 2.09 -1.01 1.29 0.02 -1.26 -3.62 135.00 128.20 2wvy s PRO 688 Ca 0.46 1.62 -0.03 0.00 0.02 0.00 0.00 61.00 63.07 2wvy s PRO 688 Cb -0.04 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.65 2wvy s PRO 688 CO 0.28 -1.84 0.41 0.39 -0.33 0.00 0.00 177.00 175.90 2wvy n GLU 689 N -2.96 -3.25 -1.13 5.54 1.02 -1.26 -3.06 120.64 115.55 2wvy n GLU 689 Ca 0.12 0.59 -0.04 0.00 -0.02 0.00 0.00 57.16 57.81 2wvy n GLU 689 Cb 0.51 -4.80 -0.02 0.00 -0.02 0.00 0.00 31.44 27.11 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 -1.26 0.55 3.83 0.62 0.00 -1.25 -4.98 105.19 102.70 2wvy n GLY 690 Ca -0.07 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.98 4.11 -0.00 1.61 -0.14 -1.17 -4.95 119.74 117.21 2wvy s LYS 691 Ca 0.00 0.85 -0.00 0.00 -1.36 0.00 0.00 55.97 55.46 2wvy s LYS 691 Cb 0.00 -2.39 0.01 0.00 -1.68 0.00 0.00 37.83 33.76 2wvy s LYS 691 CO 0.00 0.12 0.01 0.54 -0.76 0.00 0.00 175.35 175.25 2wvy s ASN 692 N -2.18 0.01 -0.16 2.83 2.20 -1.26 -0.91 114.94 115.48 2wvy s ASN 692 Ca 0.56 0.01 0.00 0.00 -0.94 0.00 0.00 52.86 52.49 2wvy s ASN 692 Cb -0.11 -0.01 -0.00 0.00 -2.00 0.00 0.00 41.25 39.13 2wvy s ASN 692 CO 0.16 -0.03 -0.15 0.12 -2.94 0.00 0.00 177.10 174.27 2wvy s PHE 693 N 0.21 2.79 -0.15 1.54 5.36 -0.23 -1.11 117.98 126.38 2wvy s PHE 693 Ca -0.02 -1.03 -0.04 0.00 -0.96 0.00 0.00 56.93 54.89 2wvy s PHE 693 Cb -0.02 -1.89 -0.03 0.00 -0.34 0.00 0.00 43.02 40.73 2wvy s PHE 693 CO -0.01 -0.47 -0.03 0.08 -1.46 0.00 0.00 175.22 173.34 2wvy s VAL 694 N 0.82 4.00 -0.41 3.12 1.01 -0.42 -0.44 120.40 128.08 2wvy s VAL 694 Ca -0.05 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 2wvy s VAL 694 Cb -0.15 -2.75 0.07 0.00 0.00 0.00 0.00 36.38 33.55 2wvy s VAL 694 CO -0.00 0.50 0.25 -0.69 0.00 0.00 0.00 175.10 175.15 2wvy s VAL 695 N 0.27 4.23 -0.10 2.92 1.01 0.13 -0.84 120.40 128.02 2wvy s VAL 695 Ca -0.02 -1.35 -0.02 0.00 0.00 0.00 0.00 61.98 60.59 2wvy s VAL 695 Cb -0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2wvy s VAL 695 CO 0.03 -0.47 -0.01 -0.94 0.00 0.00 0.00 175.10 173.71 2wvy s SER 696 N 2.03 5.15 -0.41 3.32 1.04 -0.51 -1.59 113.70 122.72 2wvy s SER 696 Ca 0.03 0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.60 2wvy s SER 696 Cb -0.22 -1.54 0.22 0.00 0.10 0.00 0.00 66.02 64.58 2wvy s SER 696 CO 0.02 0.33 0.52 0.00 0.98 0.00 0.00 173.24 175.09 2wvy n ALA 697 N 2.49 1.93 0.26 5.32 0.00 0.13 -0.98 120.51 129.66 2wvy n ALA 697 Ca -0.18 -2.99 0.15 0.00 0.00 0.00 0.00 53.44 50.42 2wvy n ALA 697 Cb 0.53 -0.88 0.85 0.00 0.00 0.00 0.00 19.45 19.95 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 4.50 1.68 -0.50 0.00 0.00 -1.73 -0.68 119.26 122.54 2wvy h ALA 698 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wvy h ALA 698 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2wvy h ALA 698 CO 0.40 -0.09 0.00 -0.25 0.00 0.00 0.00 179.25 179.31 2wvy n ASP 699 N -3.95 4.38 -4.70 0.00 8.00 -1.26 -4.99 116.55 114.04 2wvy n ASP 699 Ca -0.02 -2.57 -0.40 0.00 0.71 0.00 0.00 54.79 52.52 2wvy n ASP 699 Cb 0.15 -0.53 0.02 0.00 -0.02 0.00 0.00 41.12 40.75 2wvy n ASP 699 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2wvy n ASN 700 N 0.58 2.35 -3.70 -2.24 2.85 -0.26 -4.78 115.26 110.06 2wvy n ASN 700 Ca 0.23 1.05 -0.06 0.00 -0.11 0.00 0.00 54.58 55.69 2wvy n ASN 700 Cb 0.85 -1.50 -0.01 0.00 1.24 0.00 0.00 39.78 40.36 2wvy n ASN 700 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wvy s ALA 701 N -1.25 -1.28 0.40 5.20 0.00 -1.26 -4.91 121.76 118.65 2wvy s ALA 701 Ca 0.64 -0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.41 2wvy s ALA 701 Cb -0.48 0.77 0.81 0.00 0.00 0.00 0.00 23.12 24.22 2wvy s ALA 701 CO 0.55 -1.04 2.03 0.00 0.00 0.00 0.00 175.76 177.30 2wvy h ALA 702 N 2.00 1.65 -0.59 0.00 0.00 -1.95 -1.35 119.26 119.01 2wvy h ALA 702 Ca -0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2wvy h ALA 702 Cb 1.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2wvy h ALA 702 CO 0.26 0.30 0.00 -0.40 0.00 0.00 0.00 179.25 179.42 2wvy n ASP 703 N -4.44 3.76 -3.25 0.00 5.75 -1.26 -4.56 116.55 112.55 2wvy n ASP 703 Ca 0.03 -2.20 -0.25 0.00 -0.01 0.00 0.00 54.79 52.35 2wvy n ASP 703 Cb 0.09 -0.48 -0.07 0.00 -1.03 0.00 0.00 41.12 39.64 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 1.11 1.96 0.14 0.11 1.74 -0.51 -4.25 116.66 116.96 2wvy n ARG 704 Ca 0.21 -4.15 0.13 0.00 -0.77 0.00 0.00 57.85 53.27 2wvy n ARG 704 Cb 0.66 -1.89 0.29 0.00 -1.02 0.00 0.00 32.46 30.50 2wvy n ARG 704 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2wvy h PRO 705 N 3.80 0.00 -6.54 5.56 0.13 -1.73 -3.37 132.00 129.85 2wvy h PRO 705 Ca 0.14 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.75 2wvy h PRO 705 Cb 0.73 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.83 2wvy h PRO 705 CO 0.69 0.00 0.12 0.71 -0.23 0.00 0.00 178.00 179.29 2wvy s TYR 706 N -3.15 3.71 -0.51 1.56 2.02 -0.99 -4.69 117.35 115.30 2wvy s TYR 706 Ca 0.09 1.43 -0.21 0.00 -0.37 0.00 0.00 57.07 58.01 2wvy s TYR 706 Cb 0.10 -2.64 0.04 0.00 -0.40 0.00 0.00 41.96 39.06 2wvy s TYR 706 CO 0.64 0.39 0.74 0.42 -1.57 0.00 0.00 175.55 176.16 2wvy s ILE 707 N -1.42 4.70 0.06 2.71 1.01 -1.26 -0.43 121.20 126.56 2wvy s ILE 707 Ca 0.41 -0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.81 2wvy s ILE 707 Cb -0.18 -4.36 -0.19 0.00 0.01 0.00 0.00 42.46 37.73 2wvy s ILE 707 CO 0.22 -0.86 1.22 -0.09 0.00 0.00 0.00 174.94 175.42 2wvy h ARG 708 N 9.07 0.62 -3.16 2.79 2.43 -0.82 -3.40 114.38 121.92 2wvy h ARG 708 Ca -0.27 -0.56 -0.08 0.00 -0.81 0.00 0.00 59.98 58.26 2wvy h ARG 708 Cb 1.09 0.14 -0.16 0.00 -0.42 0.00 0.00 29.97 30.61 2wvy h ARG 708 CO 0.99 1.18 -0.13 0.21 -1.51 0.00 0.00 179.97 180.71 2wvy s LYS 709 N -3.53 0.92 -0.05 0.20 2.20 -1.16 -4.88 119.74 113.44 2wvy s LYS 709 Ca -0.12 -0.46 -0.08 0.00 -0.36 0.00 0.00 55.97 54.95 2wvy s LYS 709 Cb 0.06 0.41 0.02 0.00 -1.51 0.00 0.00 37.83 36.81 2wvy s LYS 709 CO 0.87 -0.32 0.20 0.00 -0.36 0.00 0.00 175.35 175.74 2wvy s ALA 710 N -2.74 -0.50 -0.11 3.13 0.00 -1.26 -0.88 121.76 119.39 2wvy s ALA 710 Ca -0.04 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.31 2wvy s ALA 710 Cb -0.00 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.96 2wvy s ALA 710 CO -0.04 -0.15 -0.19 -0.51 0.00 0.00 0.00 175.76 174.86 2wvy s LEU 711 N -0.50 1.93 -0.33 0.00 1.43 0.01 -1.08 118.68 120.14 2wvy s LEU 711 Ca -0.06 -0.50 -0.09 0.00 -1.03 0.00 0.00 54.13 52.45 2wvy s LEU 711 Cb -0.04 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.94 2wvy s LEU 711 CO 0.01 0.08 0.16 -0.22 0.23 0.00 0.00 176.35 176.61 2wvy s LEU 712 N 0.70 4.30 -1.55 1.79 2.96 0.63 -0.07 118.68 127.44 2wvy s LEU 712 Ca -0.12 -0.77 -0.08 0.00 -0.22 0.00 0.00 54.13 52.94 2wvy s LEU 712 Cb -0.16 -1.98 0.07 0.00 0.50 0.00 0.00 46.19 44.62 2wvy s LEU 712 CO 0.02 -0.27 0.54 0.59 -1.32 0.00 0.00 176.35 175.91 2wvy n ASN 713 N 4.96 -1.50 0.00 3.68 5.03 0.27 -1.88 115.26 125.81 2wvy n ASN 713 Ca -0.13 -1.04 0.00 0.00 0.87 0.00 0.00 54.58 54.28 2wvy n ASN 713 Cb 0.47 -2.77 0.00 0.00 -1.02 0.00 0.00 39.78 36.47 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 -1.79 1.40 3.66 7.41 0.00 -1.26 -5.03 105.19 109.59 2wvy n GLY 714 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.37 2.81 0.24 1.61 -1.52 -0.79 -5.01 119.66 116.63 2wvy s GLN 715 Ca 0.00 -0.56 -0.31 0.00 -1.95 0.00 0.00 55.36 52.54 2wvy s GLN 715 Cb 0.00 -2.67 -0.14 0.00 -0.22 0.00 0.00 33.01 29.98 2wvy s GLN 715 CO 0.00 0.65 1.27 -1.91 -0.25 0.00 0.00 175.29 175.05 2wvy n GLU 716 N 1.71 1.72 -3.69 2.91 2.13 -1.26 -0.26 120.64 123.89 2wvy n GLU 716 Ca -0.16 0.61 -0.23 0.00 0.66 0.00 0.00 57.16 58.04 2wvy n GLU 716 Cb 0.53 -2.17 -0.17 0.00 0.27 0.00 0.00 31.44 29.89 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 -0.37 0.38 0.00 4.31 5.36 -0.24 -4.72 117.98 122.70 2wvy s PHE 717 Ca 0.66 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.49 2wvy s PHE 717 Cb -0.70 -0.69 0.00 0.00 -0.34 0.00 0.00 43.02 41.29 2wvy s PHE 717 CO 0.53 -0.36 0.46 0.25 -1.46 0.00 0.00 175.22 174.64 2wvy n THR 718 N 5.22 0.01 -2.22 0.12 -2.24 -1.26 -4.15 114.28 109.76 2wvy n THR 718 Ca -0.06 -0.45 -0.36 0.00 -2.27 0.00 0.00 64.05 60.91 2wvy n THR 718 Cb 0.49 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 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 -0.01 3.51 -0.25 -0.78 0.52 -1.26 -3.70 118.95 116.98 2wvy s ARG 719 Ca 0.00 1.73 0.06 0.00 -0.52 0.00 0.00 55.73 57.00 2wvy s ARG 719 Cb 0.00 -2.20 0.51 0.00 0.52 0.00 0.00 34.95 33.78 2wvy s ARG 719 CO 0.00 -0.75 1.51 0.09 0.02 0.00 0.00 175.30 176.17 2wvy n ASN 720 N -0.92 3.85 -3.57 0.23 3.02 -0.48 -4.91 115.26 112.47 2wvy n ASN 720 Ca 0.10 -2.90 -0.15 0.00 -0.03 0.00 0.00 54.58 51.59 2wvy n ASN 720 Cb 0.49 -0.69 -0.06 0.00 -0.61 0.00 0.00 39.78 38.91 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 -2.24 -0.49 -0.03 3.10 -0.85 -1.26 -0.90 117.35 114.68 2wvy s TYR 721 Ca 0.38 0.70 0.02 0.00 -0.52 0.00 0.00 57.07 57.66 2wvy s TYR 721 Cb 0.31 0.34 -0.03 0.00 0.38 0.00 0.00 41.96 42.96 2wvy s TYR 721 CO 0.09 -0.60 -0.07 -0.51 -1.52 0.00 0.00 175.55 172.94 2wvy s LEU 722 N -1.59 3.17 0.54 -3.49 1.43 -0.42 -4.93 118.68 113.40 2wvy s LEU 722 Ca -0.09 -0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 52.85 2wvy s LEU 722 Cb -0.01 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2wvy s LEU 722 CO 0.03 0.33 0.91 0.42 0.23 0.00 0.00 176.35 178.27 2wvy s THR 723 N -0.90 4.79 0.24 5.49 -4.23 -1.26 0.06 115.64 119.83 2wvy s THR 723 Ca 0.15 0.60 -0.06 0.00 -1.18 0.00 0.00 61.69 61.20 2wvy s THR 723 Cb -0.11 -3.85 0.22 0.00 1.34 0.00 0.00 72.50 70.10 2wvy s THR 723 CO 0.04 -0.95 1.87 -0.74 -0.54 0.00 0.00 174.62 174.30 2wvy h HIS 724 N 0.09 1.06 -0.49 3.99 2.76 -1.51 -2.37 115.15 118.67 2wvy h HIS 724 Ca -0.46 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 57.70 2wvy h HIS 724 Cb 1.20 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.78 2wvy h HIS 724 CO 0.62 0.59 0.11 -0.44 -1.30 0.00 0.00 177.93 177.51 2wvy h ASP 725 N 1.08 0.69 -0.73 3.26 3.32 -1.93 0.18 116.42 122.28 2wvy h ASP 725 Ca 0.37 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 2wvy h ASP 725 Cb 0.07 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 2wvy h ASP 725 CO -0.14 0.69 0.36 -0.33 -1.72 0.00 0.00 179.24 178.09 2wvy h GLU 726 N 0.72 1.06 -0.03 3.56 5.08 -1.81 -1.84 114.58 121.32 2wvy h GLU 726 Ca 0.16 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2wvy h GLU 726 Cb 0.28 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2wvy h GLU 726 CO -0.00 0.81 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.71 2wvy h LEU 727 N 1.05 0.08 -1.17 1.33 3.38 -1.24 -3.33 115.31 115.41 2wvy h LEU 727 Ca 0.26 -0.54 0.10 0.00 0.09 0.00 0.00 57.88 57.79 2wvy h LEU 727 Cb 0.10 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 2wvy h LEU 727 CO -0.03 0.60 0.59 0.50 0.09 0.00 0.00 178.44 180.19 2wvy h LYS 728 N -0.44 0.87 -0.00 1.13 3.64 -0.80 -1.53 116.57 119.43 2wvy h LYS 728 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2wvy h LYS 728 Cb 0.59 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2wvy h LYS 728 CO 0.01 0.58 -0.03 0.00 -2.27 0.00 0.00 179.45 177.74 2wvy n GLN 729 N -4.55 0.46 0.00 1.90 10.64 -0.71 -4.89 117.38 120.24 2wvy n GLN 729 Ca 0.16 -0.04 0.00 0.00 -1.83 0.00 0.00 57.00 55.29 2wvy n GLN 729 Cb 0.33 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.21 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 1.29 -1.46 0.00 2.61 0.00 -0.58 -4.86 105.19 102.20 2wvy n GLY 730 Ca 0.14 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.07 0.46 3.35 -0.02 0.00 -0.27 -4.91 105.19 102.73 2wvy n GLY 731 Ca 0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.00 0.45 -0.34 1.61 2.12 -1.26 -1.30 118.70 117.98 2wvy s GLU 732 Ca 0.00 0.92 -0.11 0.00 0.36 0.00 0.00 54.97 56.14 2wvy s GLU 732 Cb 0.00 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.46 2wvy s GLU 732 CO 0.00 -0.17 0.19 -1.17 -0.54 0.00 0.00 175.26 173.57 2wvy s LEU 733 N 1.63 4.40 -0.32 2.70 2.96 -0.02 -0.57 118.68 129.46 2wvy s LEU 733 Ca -0.09 -0.64 -0.10 0.00 -0.22 0.00 0.00 54.13 53.09 2wvy s LEU 733 Cb -0.08 -2.04 -0.00 0.00 0.50 0.00 0.00 46.19 44.56 2wvy s LEU 733 CO -0.14 -0.26 0.16 0.21 -1.32 0.00 0.00 176.35 174.99 2wvy s ASN 734 N 1.62 5.58 -0.14 3.68 3.84 0.90 -1.42 114.94 129.00 2wvy s ASN 734 Ca 0.04 -0.57 -0.03 0.00 0.21 0.00 0.00 52.86 52.52 2wvy s ASN 734 Cb -0.18 -2.01 -0.03 0.00 -0.55 0.00 0.00 41.25 38.49 2wvy s ASN 734 CO 0.07 -0.21 -0.05 -0.76 -2.79 0.00 0.00 177.10 173.36 2wvy s LEU 735 N 1.61 3.18 -0.36 3.21 1.43 -0.15 -0.81 118.68 126.79 2wvy s LEU 735 Ca 0.04 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 52.84 2wvy s LEU 735 Cb -0.17 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.29 2wvy s LEU 735 CO 0.06 0.19 0.44 -0.44 0.23 0.00 0.00 176.35 176.84 2wvy s SER 736 N 0.20 6.24 0.25 2.29 0.01 -0.06 -4.21 113.70 118.42 2wvy s SER 736 Ca -0.03 -0.25 -0.04 0.00 1.31 0.00 0.00 55.95 56.94 2wvy s SER 736 Cb -0.14 -2.23 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 2wvy s SER 736 CO 0.03 -0.46 0.49 -0.04 0.41 0.00 0.00 173.24 173.68 2wvy s MET 737 N 2.21 3.60 0.12 12.44 1.00 -1.26 -0.10 119.30 137.31 2wvy s MET 737 Ca 0.15 -0.10 -0.11 0.00 0.00 0.00 0.00 55.69 55.62 2wvy s MET 737 Cb -0.16 -2.72 0.01 0.00 0.00 0.00 0.00 34.83 31.96 2wvy s MET 737 CO 0.13 0.29 0.29 0.34 0.00 0.00 0.00 175.02 176.08 2wvy s ASP 738 N -3.08 -0.02 0.00 3.03 -1.08 0.43 -4.79 116.67 111.15 2wvy s ASP 738 Ca 0.42 -0.59 0.25 0.00 -0.52 0.00 0.00 52.55 52.11 2wvy s ASP 738 Cb -0.11 0.42 0.53 0.00 -1.46 0.00 0.00 42.92 42.30 2wvy s ASP 738 CO 0.29 -0.83 1.43 -1.54 0.52 0.00 0.00 175.17 175.04 2wvy n SER 739 N -0.16 0.66 -4.30 -0.34 3.41 -1.26 -2.35 113.62 109.29 2wvy n SER 739 Ca -0.13 -0.45 -0.21 0.00 -0.26 0.00 0.00 58.87 57.82 2wvy n SER 739 Cb 0.63 0.26 -0.11 0.00 -0.26 0.00 0.00 64.21 64.72 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 -2.87 1.64 0.52 -3.33 -7.23 -1.26 -4.92 120.40 102.95 2wvy s VAL 740 Ca 0.14 -1.81 -0.19 0.00 -1.81 0.00 0.00 61.98 58.31 2wvy s VAL 740 Cb 0.18 -1.70 -0.07 0.00 0.56 0.00 0.00 36.38 35.35 2wvy s VAL 740 CO 0.66 -0.32 1.07 -2.16 -0.31 0.00 0.00 175.10 174.04 2wvy s PRO 741 N -2.66 3.57 -0.47 4.82 0.05 -1.26 -4.78 135.00 134.27 2wvy s PRO 741 Ca 0.12 1.42 -0.16 0.00 0.05 0.00 0.00 61.00 62.43 2wvy s PRO 741 Cb -0.06 -2.05 0.06 0.00 0.05 0.00 0.00 34.50 32.50 2wvy s PRO 741 CO 0.05 -0.63 0.43 1.21 0.05 0.00 0.00 177.00 178.11 2wvy s ASN 742 N -2.04 6.16 0.00 6.66 3.84 -1.26 -4.96 114.94 123.34 2wvy s ASN 742 Ca 0.68 -1.17 0.21 0.00 0.21 0.00 0.00 52.86 52.80 2wvy s ASN 742 Cb -0.19 -2.20 0.97 0.00 -0.55 0.00 0.00 41.25 39.28 2wvy s ASN 742 CO 0.25 -0.67 1.66 0.00 -2.79 0.00 0.00 177.10 175.55 2wvy n GLN 743 N 5.40 1.44 0.01 0.43 6.02 -1.26 -3.36 117.38 126.06 2wvy n GLN 743 Ca -0.11 -0.65 0.05 0.00 -0.01 0.00 0.00 57.00 56.27 2wvy n GLN 743 Cb 0.45 -1.37 -0.11 0.00 1.02 0.00 0.00 30.24 30.22 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 -0.14 0.64 -2.92 -1.09 6.02 -1.26 -4.90 117.38 113.73 2wvy n GLN 744 Ca 0.16 0.02 -0.40 0.00 -0.01 0.00 0.00 57.00 56.77 2wvy n GLN 744 Cb 0.23 -1.67 -0.05 0.00 1.02 0.00 0.00 30.24 29.78 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 -3.16 4.54 -0.81 -1.09 3.52 -1.21 -4.06 118.95 116.68 2wvy s ARG 745 Ca -0.05 1.16 0.00 0.00 -0.13 0.00 0.00 55.73 56.70 2wvy s ARG 745 Cb 0.10 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 2wvy s ARG 745 CO 0.84 0.26 0.00 0.41 -0.81 0.00 0.00 175.30 176.00 2wvy n GLY 746 N 2.37 0.06 0.42 8.12 0.00 -1.24 -4.74 105.19 110.19 2wvy n GLY 746 Ca -0.01 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.92 0.00 -3.73 2.61 -2.24 -1.26 -4.55 114.28 101.19 2wvy n THR 747 Ca -0.11 -0.39 -0.32 0.00 -2.27 0.00 0.00 64.05 60.97 2wvy n THR 747 Cb 0.56 1.22 -0.05 0.00 -2.10 0.00 0.00 70.33 69.97 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 -1.67 3.58 0.52 -0.78 -1.52 -1.26 -4.79 119.66 113.75 2wvy s GLN 748 Ca 0.14 -0.15 0.21 0.00 -1.95 0.00 0.00 55.36 53.62 2wvy s GLN 748 Cb 0.12 -2.91 1.33 0.00 -0.22 0.00 0.00 33.01 31.33 2wvy s GLN 748 CO 0.33 0.51 2.04 -1.35 -0.25 0.00 0.00 175.29 176.57 2wvy h PRO 749 N 3.00 0.03 0.00 2.91 0.11 -1.98 0.59 132.00 136.66 2wvy h PRO 749 Ca -0.46 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2wvy h PRO 749 Cb 1.17 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2wvy h PRO 749 CO 0.73 0.02 -0.05 0.00 -0.21 0.00 0.00 178.00 178.48 2wvy h ALA 750 N 1.82 1.11 0.00 -0.75 0.00 -2.00 -2.80 119.26 116.64 2wvy h ALA 750 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2wvy h ALA 750 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2wvy h ALA 750 CO -0.01 0.06 -0.18 -0.25 0.00 0.00 0.00 179.25 178.87 2wvy n ASP 751 N -3.30 0.51 -4.82 0.00 8.00 0.21 -4.90 116.55 112.24 2wvy n ASP 751 Ca -0.01 0.36 -0.36 0.00 0.71 0.00 0.00 54.79 55.49 2wvy n ASP 751 Cb 0.21 -0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 40.86 2wvy n ASP 751 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2wvy s PHE 752 N -3.07 3.61 0.20 1.24 0.08 -1.06 -1.38 117.98 117.59 2wvy s PHE 752 Ca 0.11 1.35 -0.03 0.00 0.12 0.00 0.00 56.93 58.47 2wvy s PHE 752 Cb 0.15 -2.59 0.05 0.00 -0.57 0.00 0.00 43.02 40.05 2wvy s PHE 752 CO 0.61 0.31 0.20 -2.30 -0.10 0.00 0.00 175.22 173.95 2wvy n PRO 753 N 0.58 -0.95 -2.45 0.24 -0.02 -1.26 -4.95 135.00 126.20 2wvy n PRO 753 Ca -0.02 -0.32 -0.39 0.00 -2.02 0.00 0.00 63.50 60.75 2wvy n PRO 753 Cb 0.51 -0.26 -0.04 0.00 -0.02 0.00 0.00 33.50 33.69 2wvy n PRO 753 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2wvy s TYR 754 N -1.40 3.38 0.02 6.00 5.04 -1.26 -5.00 117.35 124.13 2wvy s TYR 754 Ca 0.13 1.65 0.02 0.00 -2.44 0.00 0.00 57.07 56.43 2wvy s TYR 754 Cb -0.01 -3.28 -0.02 0.00 0.35 0.00 0.00 41.96 39.01 2wvy s TYR 754 CO 0.09 -0.76 -0.08 -1.12 -1.34 0.00 0.00 175.55 172.34 2wvy s SER 755 N -1.10 0.90 0.43 4.32 0.01 -1.26 -4.65 113.70 112.35 2wvy s SER 755 Ca 0.51 -0.35 0.09 0.00 1.31 0.00 0.00 55.95 57.51 2wvy s SER 755 Cb -0.29 -0.03 0.95 0.00 0.21 0.00 0.00 66.02 66.86 2wvy s SER 755 CO 0.37 -0.05 2.08 0.22 0.41 0.00 0.00 173.24 176.27 2wvy h TYR 756 N 5.18 0.40 -0.01 2.43 3.20 -1.42 -2.88 116.97 123.88 2wvy h TYR 756 Ca -0.33 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.55 2wvy h TYR 756 Cb 1.19 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.33 2wvy h TYR 756 CO 0.53 0.25 -0.18 0.43 -1.64 0.00 0.00 178.16 177.55 2wvy n SER 757 N -4.49 1.09 0.00 -2.11 7.64 -1.26 -5.08 113.62 109.41 2wvy n SER 757 Ca 0.02 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.89 2wvy n SER 757 Cb 0.07 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 2wvy n SER 757 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32