#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wol h ALA 9 N 0.00 0.68 0.00 3.55 0.00 -1.87 -2.96 119.26 118.66 2wol h ALA 9 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wol h ALA 9 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2wol h ALA 9 CO 0.00 0.12 0.00 -2.30 0.00 0.00 0.00 179.25 177.07 2wol n PRO 10 N -4.71 0.00 -0.00 0.00 -0.02 -1.26 -2.43 135.00 126.57 2wol n PRO 10 Ca 0.03 0.43 0.10 0.00 -2.02 0.00 0.00 63.50 62.04 2wol n PRO 10 Cb 0.02 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 31.87 2wol n PRO 10 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wol n THR 11 N -1.50 0.00 -4.08 3.45 -2.24 -1.12 -4.85 114.28 103.95 2wol n THR 11 Ca 0.01 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.35 2wol n THR 11 Cb 0.05 0.51 -0.16 0.00 -2.10 0.00 0.00 70.33 68.63 2wol n THR 11 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wol s THR 12 N -3.11 0.39 0.33 4.28 -4.23 -1.02 -5.06 115.64 107.21 2wol s THR 12 Ca -0.00 -0.05 -0.29 0.00 -1.18 0.00 0.00 61.69 60.18 2wol s THR 12 Cb 0.14 -0.44 -0.10 0.00 1.34 0.00 0.00 72.50 73.44 2wol s THR 12 CO 0.81 0.19 1.27 0.00 -0.54 0.00 0.00 174.62 176.35 2wol s ALA 13 N 0.89 3.46 0.15 3.99 0.00 -1.26 -4.82 121.76 124.16 2wol s ALA 13 Ca -0.11 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2wol s ALA 13 Cb -0.14 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2wol s ALA 13 CO -0.00 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.60 2wol n GLY 14 N 0.85 1.52 0.27 0.00 0.00 -1.26 -4.99 105.19 101.58 2wol n GLY 14 Ca 0.00 -1.97 0.14 0.00 0.00 0.00 0.00 46.02 44.19 2wol n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wol h ALA 15 N -1.15 1.17 0.00 4.61 0.00 -1.95 -3.47 119.26 118.48 2wol h ALA 15 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2wol h ALA 15 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wol h ALA 15 CO 0.00 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.80 2wol n GLY 16 N -0.49 3.47 3.61 0.00 0.00 -0.26 -4.84 105.19 106.68 2wol n GLY 16 Ca -0.01 -1.78 -0.52 0.00 0.00 0.00 0.00 46.02 43.71 2wol n GLY 16 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2wol n TRP 17 N -1.10 1.62 -1.16 1.61 -0.00 -1.19 -1.77 117.44 115.44 2wol n TRP 17 Ca 0.00 0.60 -0.06 0.00 -0.00 0.00 0.00 57.50 58.04 2wol n TRP 17 Cb 0.00 -2.36 -0.02 0.00 -0.00 0.00 0.00 31.31 28.93 2wol n TRP 17 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 2wol n ASP 18 N 2.88 -5.23 0.28 5.87 9.92 -0.43 -4.87 116.55 124.97 2wol n ASP 18 Ca 0.19 0.14 0.13 0.00 -0.53 0.00 0.00 54.79 54.71 2wol n ASP 18 Cb 0.19 -3.22 0.81 0.00 -0.64 0.00 0.00 41.12 38.26 2wol n ASP 18 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wol h ALA 19 N 0.00 1.62 -0.29 2.24 0.00 -1.59 -1.32 119.26 119.92 2wol h ALA 19 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wol h ALA 19 Cb 0.88 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2wol h ALA 19 CO 0.17 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2wol n GLY 20 N -1.28 0.76 3.39 0.00 0.00 -1.26 -4.23 105.19 102.56 2wol n GLY 20 Ca -0.03 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 2wol n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wol s VAL 21 N -1.62 4.90 0.00 1.61 1.01 -0.50 -0.55 120.40 125.25 2wol s VAL 21 Ca 0.32 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2wol s VAL 21 Cb 0.17 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2wol s VAL 21 CO 0.25 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.56 2wol n GLY 22 N 5.09 0.84 3.47 4.51 0.00 -1.26 -5.00 105.19 112.84 2wol n GLY 22 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 2wol n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wol s ALA 23 N -3.27 -0.79 -0.17 4.61 0.00 -1.26 -4.56 121.76 116.33 2wol s ALA 23 Ca 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 51.96 51.55 2wol s ALA 23 Cb 0.00 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 23.91 2wol s ALA 23 CO 0.00 -0.76 0.15 -1.17 0.00 0.00 0.00 175.76 173.98 2wol s LEU 24 N -2.88 4.26 -0.17 0.00 2.96 -1.26 -4.24 118.68 117.35 2wol s LEU 24 Ca 0.10 0.33 -0.09 0.00 -0.22 0.00 0.00 54.13 54.25 2wol s LEU 24 Cb -0.00 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 2wol s LEU 24 CO -0.03 0.23 0.14 -0.69 -1.32 0.00 0.00 176.35 174.68 2wol s VAL 25 N -0.01 5.44 -1.10 1.68 1.01 0.23 -4.70 120.40 122.96 2wol s VAL 25 Ca 0.11 0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 2wol s VAL 25 Cb -0.12 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 2wol s VAL 25 CO 0.00 0.50 0.90 -3.20 0.00 0.00 0.00 175.10 173.30 2wol n ASN 26 N 2.99 -5.55 -4.77 3.32 5.15 -1.26 -1.43 115.26 113.71 2wol n ASN 26 Ca -0.17 -0.76 -0.41 0.00 -0.60 0.00 0.00 54.58 52.64 2wol n ASN 26 Cb 0.53 -4.84 -0.01 0.00 -0.53 0.00 0.00 39.78 34.94 2wol n ASN 26 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2wol s PRO 27 N -4.86 4.17 -0.05 1.20 0.04 -1.26 -1.04 135.00 133.19 2wol s PRO 27 Ca 0.38 2.38 -0.29 0.00 0.04 0.00 0.00 61.00 63.51 2wol s PRO 27 Cb -0.07 -2.97 0.10 0.00 0.04 0.00 0.00 34.50 31.60 2wol s PRO 27 CO 0.76 -0.40 0.83 0.45 0.04 0.00 0.00 177.00 178.68 2wol s SER 28 N -0.36 -0.48 -0.00 6.66 0.15 -1.26 -4.85 113.70 113.55 2wol s SER 28 Ca 0.52 0.36 0.06 0.00 0.70 0.00 0.00 55.95 57.59 2wol s SER 28 Cb -0.43 0.43 0.18 0.00 -1.71 0.00 0.00 66.02 64.49 2wol s SER 28 CO 0.57 -0.56 1.15 0.54 1.20 0.00 0.00 173.24 176.14 2wol n ARG 29 N 0.43 2.91 -2.04 5.44 1.74 -1.26 -4.84 116.66 119.04 2wol n ARG 29 Ca -0.13 -1.84 -0.42 0.00 -0.77 0.00 0.00 57.85 54.68 2wol n ARG 29 Cb 0.59 -1.17 -0.03 0.00 -1.02 0.00 0.00 32.46 30.84 2wol n ARG 29 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2wol s ARG 30 N -1.05 4.11 0.30 5.56 3.00 -1.26 -4.99 118.95 124.61 2wol s ARG 30 Ca 0.14 2.07 -0.11 0.00 -1.00 0.00 0.00 55.73 56.83 2wol s ARG 30 Cb 0.08 -3.99 -0.08 0.00 0.00 0.00 0.00 34.95 30.96 2wol s ARG 30 CO 0.09 -0.93 0.65 1.03 0.00 0.00 0.00 175.30 176.15 2wol s ARG 31 N 4.14 3.86 0.00 5.12 0.52 -1.26 -4.54 118.95 126.79 2wol s ARG 31 Ca 0.72 0.43 0.00 0.00 -0.52 0.00 0.00 55.73 56.37 2wol s ARG 31 Cb -0.31 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 32.63 2wol s ARG 31 CO 0.29 0.20 0.00 0.41 0.02 0.00 0.00 175.30 176.21 2wol n GLY 32 N -0.46 2.83 0.00 -3.53 0.00 0.35 -4.99 105.19 99.39 2wol n GLY 32 Ca 0.02 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2wol n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wol n GLY 33 N -1.22 -0.65 3.30 -0.02 0.00 -1.26 -4.09 105.19 101.24 2wol n GLY 33 Ca 0.00 -1.72 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 2wol n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wol s THR 34 N -1.65 3.11 -0.31 2.61 2.01 -1.26 -0.83 115.64 119.31 2wol s THR 34 Ca 0.00 -0.60 -0.26 0.00 0.31 0.00 0.00 61.69 61.15 2wol s THR 34 Cb 0.00 -2.37 0.01 0.00 0.01 0.00 0.00 72.50 70.14 2wol s THR 34 CO 0.00 0.47 0.90 -0.22 -0.69 0.00 0.00 174.62 175.07 2wol s LEU 35 N 1.15 4.04 -0.46 4.42 2.96 -0.18 -4.94 118.68 125.66 2wol s LEU 35 Ca 0.01 0.79 -0.17 0.00 -0.22 0.00 0.00 54.13 54.54 2wol s LEU 35 Cb -0.14 -3.25 0.05 0.00 0.50 0.00 0.00 46.19 43.34 2wol s LEU 35 CO -0.02 -0.72 0.49 -0.13 -1.32 0.00 0.00 176.35 174.64 2wol s ARG 36 N 3.22 3.07 0.23 1.98 0.52 -1.26 -0.92 118.95 125.79 2wol s ARG 36 Ca 0.37 -0.96 0.06 0.00 -0.52 0.00 0.00 55.73 54.69 2wol s ARG 36 Cb -0.13 -4.05 -0.04 0.00 0.52 0.00 0.00 34.95 31.25 2wol s ARG 36 CO 0.14 -1.02 0.21 -0.51 0.02 0.00 0.00 175.30 174.14 2wol s LEU 37 N 2.17 3.91 0.02 2.53 1.43 0.74 -0.31 118.68 129.16 2wol s LEU 37 Ca 0.11 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2wol s LEU 37 Cb -0.20 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 2wol s LEU 37 CO 0.11 -0.02 -0.01 0.54 0.23 0.00 0.00 176.35 177.20 2wol s VAL 38 N -2.02 0.10 -0.00 -1.59 0.11 -0.83 -1.03 120.40 115.14 2wol s VAL 38 Ca 0.33 -0.86 -0.11 0.00 -2.93 0.00 0.00 61.98 58.41 2wol s VAL 38 Cb -0.09 -0.27 0.01 0.00 -1.53 0.00 0.00 36.38 34.51 2wol s VAL 38 CO 0.25 -0.47 0.22 -0.55 -3.33 0.00 0.00 175.10 171.23 2wol s SER 39 N -1.40 -0.08 0.14 3.54 0.15 -0.40 -0.63 113.70 115.02 2wol s SER 39 Ca -0.15 -0.07 0.25 0.00 0.70 0.00 0.00 55.95 56.68 2wol s SER 39 Cb -0.09 0.26 0.61 0.00 -1.71 0.00 0.00 66.02 65.09 2wol s SER 39 CO -0.01 -0.42 1.56 -1.54 1.20 0.00 0.00 173.24 174.04 2wol n SER 40 N 1.33 0.68 -4.18 5.45 3.41 -1.26 -1.64 113.62 117.41 2wol n SER 40 Ca -0.22 0.31 -0.18 0.00 -0.26 0.00 0.00 58.87 58.51 2wol n SER 40 Cb 0.56 -0.27 -0.12 0.00 -0.26 0.00 0.00 64.21 64.12 2wol n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wol s ALA 41 N -3.12 1.21 0.72 7.33 0.00 -1.26 -3.79 121.76 122.85 2wol s ALA 41 Ca 0.09 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 2wol s ALA 41 Cb 0.14 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.18 2wol s ALA 41 CO 0.65 0.17 1.07 0.34 0.00 0.00 0.00 175.76 177.99 2wol s ASP 42 N -1.80 5.10 0.59 0.00 -1.08 -1.26 -4.63 116.67 113.59 2wol s ASP 42 Ca -0.01 1.70 -0.20 0.00 -0.52 0.00 0.00 52.55 53.52 2wol s ASP 42 Cb -0.10 -2.51 -0.04 0.00 -1.46 0.00 0.00 42.92 38.82 2wol s ASP 42 CO 0.02 -1.63 1.16 1.33 0.52 0.00 0.00 175.17 176.57 2wol n VAL 43 N -3.21 4.02 0.08 1.11 0.24 -1.26 -4.93 118.33 114.38 2wol n VAL 43 Ca 0.08 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.34 61.80 2wol n VAL 43 Cb 0.53 -1.38 0.04 0.00 -1.47 0.00 0.00 33.84 31.56 2wol n VAL 43 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 2wol h ASP 44 N 0.81 0.30 -4.70 -1.34 2.03 -1.95 -3.47 116.42 108.10 2wol h ASP 44 Ca -0.50 -0.21 -0.01 0.00 -0.73 0.00 0.00 57.03 55.58 2wol h ASP 44 Cb 1.34 -0.09 -0.20 0.00 -0.83 0.00 0.00 39.33 39.55 2wol h ASP 44 CO 0.53 0.96 0.31 -0.55 -1.03 0.00 0.00 179.24 179.46 2wol s SER 45 N -6.93 -0.57 0.00 4.15 0.15 -1.26 -4.98 113.70 104.27 2wol s SER 45 Ca -0.04 0.63 0.24 0.00 0.70 0.00 0.00 55.95 57.47 2wol s SER 45 Cb 0.11 0.47 0.25 0.00 -1.71 0.00 0.00 66.02 65.14 2wol s SER 45 CO 0.82 -0.52 1.29 0.18 1.20 0.00 0.00 173.24 176.21 2wol n LEU 46 N 0.88 3.11 -4.66 3.45 4.77 -1.26 -4.75 117.00 118.53 2wol n LEU 46 Ca -0.16 -1.13 -0.43 0.00 -0.03 0.00 0.00 56.01 54.26 2wol n LEU 46 Cb 0.57 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2wol n LEU 46 CO 0.21 0.56 0.95 -0.62 -1.33 0.00 0.00 177.39 177.17 2wol s ASP 47 N -1.85 7.07 0.64 -1.43 -1.08 -1.26 -4.66 116.67 114.10 2wol s ASP 47 Ca 0.31 1.48 0.39 0.00 -0.52 0.00 0.00 52.55 54.20 2wol s ASP 47 Cb 0.21 -2.54 2.20 0.00 -1.46 0.00 0.00 42.92 41.33 2wol s ASP 47 CO 0.30 -0.68 2.32 1.55 0.52 0.00 0.00 175.17 179.19 2wol h PRO 48 N 7.62 0.00 0.00 4.34 0.13 -1.89 -1.46 132.00 140.74 2wol h PRO 48 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2wol h PRO 48 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2wol h PRO 48 CO 0.97 0.00 -0.40 0.00 -0.23 0.00 0.00 178.00 178.34 2wol n ALA 49 N -2.16 2.96 -0.37 -0.56 0.00 -1.26 -2.83 120.51 116.28 2wol n ALA 49 Ca -0.03 -0.23 0.05 0.00 0.00 0.00 0.00 53.44 53.23 2wol n ALA 49 Cb 0.09 -1.24 0.14 0.00 0.00 0.00 0.00 19.45 18.43 2wol n ALA 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wol n ARG 50 N -1.81 2.79 -4.04 0.00 1.74 -0.55 -3.22 116.66 111.57 2wol n ARG 50 Ca 0.05 -2.13 -0.36 0.00 -0.77 0.00 0.00 57.85 54.65 2wol n ARG 50 Cb 0.39 -1.34 -0.08 0.00 -1.02 0.00 0.00 32.46 30.41 2wol n ARG 50 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2wol s THR 51 N -1.50 5.02 -0.08 0.55 -1.32 -1.24 -3.87 115.64 113.20 2wol s THR 51 Ca 0.22 0.03 0.12 0.00 -1.21 0.00 0.00 61.69 60.85 2wol s THR 51 Cb 0.15 -3.18 0.20 0.00 -1.51 0.00 0.00 72.50 68.16 2wol s THR 51 CO 0.10 0.58 1.10 0.00 -2.21 0.00 0.00 174.62 174.19 2wol n TYR 52 N 2.39 0.00 -3.47 9.09 -0.00 -1.22 -4.44 117.16 119.52 2wol n TYR 52 Ca -0.19 -0.64 -0.37 0.00 -0.00 0.00 0.00 57.90 56.70 2wol n TYR 52 Cb 0.54 -0.12 -0.07 0.00 -0.00 0.00 0.00 39.34 39.68 2wol n TYR 52 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 2wol s TYR 53 N -1.67 3.41 0.24 2.98 2.02 -1.26 -4.99 117.35 118.09 2wol s TYR 53 Ca 0.21 0.59 -0.04 0.00 -0.37 0.00 0.00 57.07 57.46 2wol s TYR 53 Cb 0.19 -2.43 0.39 0.00 -0.40 0.00 0.00 41.96 39.72 2wol s TYR 53 CO -0.00 0.11 1.81 0.28 -1.57 0.00 0.00 175.55 176.18 2wol h VAL 54 N 4.86 0.91 0.00 0.71 2.07 -1.96 -0.64 116.25 122.20 2wol h VAL 54 Ca -0.39 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 2wol h VAL 54 Cb 1.16 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2wol h VAL 54 CO 0.73 0.15 -0.20 4.11 0.02 0.00 0.00 177.57 182.38 2wol h TRP 55 N 0.80 0.00 0.13 1.57 5.08 -1.88 -0.83 115.95 120.82 2wol h TRP 55 Ca 0.40 0.00 -0.28 0.00 1.08 0.00 0.00 58.89 60.09 2wol h TRP 55 Cb 0.36 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.52 2wol h TRP 55 CO -0.06 0.20 -1.25 0.28 -1.28 0.00 0.00 178.44 176.33 2wol h VAL 56 N 0.00 1.49 -0.89 0.12 2.07 -1.67 -1.22 116.25 116.15 2wol h VAL 56 Ca -0.00 -3.04 0.06 0.00 0.82 0.00 0.00 66.70 64.53 2wol h VAL 56 Cb 0.71 2.94 -0.06 0.00 -1.52 0.00 0.00 31.29 33.36 2wol h VAL 56 CO 0.03 0.89 0.56 -0.50 0.02 0.00 0.00 177.57 178.57 2wol h TRP 57 N 0.08 1.05 -0.38 1.57 6.55 -0.67 0.21 115.95 124.35 2wol h TRP 57 Ca -0.14 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.71 2wol h TRP 57 Cb 1.97 -0.34 -0.02 0.00 -0.86 0.00 0.00 29.16 29.92 2wol h TRP 57 CO 0.07 0.55 0.17 1.25 -1.05 0.00 0.00 178.44 179.43 2wol h LEU 58 N 1.04 0.51 -1.35 -4.49 5.85 -1.12 -2.66 115.31 113.09 2wol h LEU 58 Ca 0.38 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 2wol h LEU 58 Cb 0.13 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2wol h LEU 58 CO -0.16 0.51 -0.01 0.25 -0.34 0.00 0.00 178.44 178.69 2wol h LEU 59 N 0.47 0.39 -2.67 2.25 5.85 -0.69 -2.56 115.31 118.35 2wol h LEU 59 Ca 0.13 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2wol h LEU 59 Cb 0.15 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 2wol h LEU 59 CO -0.01 0.46 -0.01 1.56 -0.34 0.00 0.00 178.44 180.10 2wol h GLN 60 N 0.40 0.00 0.00 1.25 1.08 -0.24 -1.18 115.11 116.42 2wol h GLN 60 Ca 0.09 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 2wol h GLN 60 Cb 0.29 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2wol h GLN 60 CO 0.01 0.01 -0.03 0.00 -0.95 0.00 0.00 178.83 177.86 2wol h ARG 61 N 0.00 0.00 0.00 1.46 3.08 -1.42 -0.20 114.38 117.31 2wol h ARG 61 Ca -0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 2wol h ARG 61 Cb 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 2wol h ARG 61 CO 0.00 0.03 -1.30 -0.07 -1.07 0.00 0.00 179.97 177.57 2wol h LEU 62 N 0.00 0.00 0.02 3.04 4.07 -1.40 -3.42 115.31 117.63 2wol h LEU 62 Ca -0.00 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.59 2wol h LEU 62 Cb 0.24 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.92 2wol h LEU 62 CO 0.00 0.84 -2.29 0.18 -1.08 0.00 0.00 178.44 176.09 2wol n LEU 63 N -3.11 1.80 -3.80 1.67 4.77 -0.79 -1.38 117.00 116.17 2wol n LEU 63 Ca -0.08 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.78 2wol n LEU 63 Cb 0.93 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 41.47 2wol n LEU 63 CO 0.44 0.73 -0.30 0.20 -1.33 0.00 0.00 177.39 177.14 2wol s ASN 64 N -6.25 -0.03 0.57 -1.43 0.01 -0.15 -1.11 114.94 106.55 2wol s ASN 64 Ca -0.22 0.13 -0.06 0.00 -0.71 0.00 0.00 52.86 52.00 2wol s ASN 64 Cb 0.08 0.07 -0.01 0.00 0.41 0.00 0.00 41.25 41.80 2wol s ASN 64 CO 0.72 -0.09 0.89 -0.13 -1.51 0.00 0.00 177.10 176.98 2wol s ARG 65 N 0.66 3.12 0.23 -0.60 0.52 -1.26 -4.55 118.95 117.07 2wol s ARG 65 Ca -0.05 0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.27 2wol s ARG 65 Cb -0.07 -2.27 -0.04 0.00 0.52 0.00 0.00 34.95 33.08 2wol s ARG 65 CO -0.02 -0.58 0.12 0.95 0.02 0.00 0.00 175.30 175.78 2wol s THR 66 N -2.96 0.23 0.15 0.02 -4.23 -1.26 -4.16 115.64 103.43 2wol s THR 66 Ca 0.52 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.87 2wol s THR 66 Cb -0.11 -2.56 0.01 0.00 1.34 0.00 0.00 72.50 71.19 2wol s THR 66 CO 0.46 0.00 1.76 -0.07 -0.54 0.00 0.00 174.62 176.23 2wol h LEU 67 N 2.51 0.18 -8.94 4.79 3.38 -1.83 0.11 115.31 115.52 2wol h LEU 67 Ca -0.37 0.03 -0.62 0.00 0.09 0.00 0.00 57.88 57.01 2wol h LEU 67 Cb 1.25 -0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.80 2wol h LEU 67 CO 0.56 0.14 -0.82 -0.04 0.09 0.00 0.00 178.44 178.37 2wol s MET 68 N -6.16 1.41 0.01 1.13 -1.94 -1.19 -0.87 119.30 111.69 2wol s MET 68 Ca -0.13 -1.44 -0.10 0.00 -1.71 0.00 0.00 55.69 52.30 2wol s MET 68 Cb 0.11 -1.69 0.01 0.00 2.01 0.00 0.00 34.83 35.27 2wol s MET 68 CO 0.71 0.37 0.21 0.00 -0.01 0.00 0.00 175.02 176.30 2wol s ALA 69 N -1.64 -0.49 0.14 3.03 0.00 0.60 -3.77 121.76 119.63 2wol s ALA 69 Ca 0.17 -0.05 -0.31 0.00 0.00 0.00 0.00 51.96 51.77 2wol s ALA 69 Cb -0.08 0.17 -0.09 0.00 0.00 0.00 0.00 23.12 23.12 2wol s ALA 69 CO 0.08 -0.29 1.51 0.71 0.00 0.00 0.00 175.76 177.77 2wol s TYR 70 N -1.84 3.08 0.83 0.00 1.51 -1.26 0.03 117.35 119.70 2wol s TYR 70 Ca -0.11 0.72 -0.11 0.00 -1.01 0.00 0.00 57.07 56.57 2wol s TYR 70 Cb -0.04 -3.84 0.09 0.00 -0.11 0.00 0.00 41.96 38.06 2wol s TYR 70 CO 0.00 -3.07 1.09 -1.25 -1.11 0.00 0.00 175.55 171.22 2wol s PRO 71 N 1.27 1.75 -1.12 -1.71 0.04 -1.26 -4.90 135.00 129.07 2wol s PRO 71 Ca 0.68 1.05 -0.19 0.00 0.04 0.00 0.00 61.00 62.57 2wol s PRO 71 Cb -0.41 -1.85 0.09 0.00 0.04 0.00 0.00 34.50 32.37 2wol s PRO 71 CO 0.31 -1.96 1.48 0.99 0.04 0.00 0.00 177.00 177.86 2wol s THR 72 N -2.90 4.28 -0.25 1.26 2.01 -1.26 -4.76 115.64 114.03 2wol s THR 72 Ca 0.62 -1.53 -0.09 0.00 0.31 0.00 0.00 61.69 61.00 2wol s THR 72 Cb -0.18 -5.03 0.10 0.00 0.01 0.00 0.00 72.50 67.40 2wol s THR 72 CO 0.57 -1.85 0.54 -0.62 -0.69 0.00 0.00 174.62 172.57 2wol s ASP 73 N 4.21 -0.72 0.34 3.53 -1.08 -1.26 -5.03 116.67 116.66 2wol s ASP 73 Ca 0.46 1.28 0.27 0.00 -0.52 0.00 0.00 52.55 54.04 2wol s ASP 73 Cb 0.00 1.73 1.01 0.00 -1.46 0.00 0.00 42.92 44.20 2wol s ASP 73 CO -0.03 -0.22 1.79 1.55 0.52 0.00 0.00 175.17 178.77 2wol h PRO 74 N 7.93 0.00 0.00 4.34 0.13 -1.89 -3.37 132.00 139.14 2wol h PRO 74 Ca -0.19 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.54 2wol h PRO 74 Cb 1.12 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.36 2wol h PRO 74 CO 0.13 0.00 0.24 0.41 -0.23 0.00 0.00 178.00 178.54 2wol n GLY 75 N 0.29 -0.39 0.40 1.56 0.00 -1.26 -4.22 105.19 101.57 2wol n GLY 75 Ca 0.02 -1.87 0.22 0.00 0.00 0.00 0.00 46.02 44.39 2wol n GLY 75 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wol h PRO 76 N 0.00 0.00 0.00 1.61 0.11 -1.97 0.37 132.00 132.12 2wol h PRO 76 Ca -0.34 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 2wol h PRO 76 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2wol h PRO 76 CO 0.29 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.06 2wol h ALA 77 N 1.64 1.18 0.00 -0.75 0.00 -1.93 -1.80 119.26 117.60 2wol h ALA 77 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2wol h ALA 77 Cb 1.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wol h ALA 77 CO -0.00 0.03 0.07 0.78 0.00 0.00 0.00 179.25 180.13 2wol h GLY 78 N 0.40 0.00 1.05 0.00 0.00 -1.07 -1.46 103.07 101.99 2wol h GLY 78 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wol h GLY 78 CO 0.00 0.00 -0.27 1.04 0.00 0.00 0.00 176.54 177.32 2wol n LEU 79 N -2.93 0.48 -4.34 3.11 4.77 -0.68 -4.33 117.00 113.08 2wol n LEU 79 Ca -0.03 0.06 -0.38 0.00 -0.03 0.00 0.00 56.01 55.64 2wol n LEU 79 Cb 0.13 -0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 40.83 2wol n LEU 79 CO 0.17 0.10 -0.26 -0.69 -1.33 0.00 0.00 177.39 175.38 2wol s VAL 80 N -2.79 3.99 0.27 4.08 1.01 -0.55 -4.88 120.40 121.53 2wol s VAL 80 Ca 0.18 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 2wol s VAL 80 Cb 0.19 -3.10 -0.13 0.00 0.00 0.00 0.00 36.38 33.33 2wol s VAL 80 CO 0.58 0.02 1.33 -2.65 0.00 0.00 0.00 175.10 174.38 2wol n PRO 81 N 4.87 1.95 -4.34 2.72 -0.02 -1.26 -4.36 135.00 134.55 2wol n PRO 81 Ca -0.14 0.69 -0.26 0.00 -2.02 0.00 0.00 63.50 61.78 2wol n PRO 81 Cb 0.47 -2.29 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 2wol n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wol s ALA 82 N -0.43 2.88 0.26 3.55 0.00 0.10 -4.86 121.76 123.25 2wol s ALA 82 Ca 0.64 -1.60 -0.31 0.00 0.00 0.00 0.00 51.96 50.69 2wol s ALA 82 Cb -0.64 -0.59 -0.12 0.00 0.00 0.00 0.00 23.12 21.76 2wol s ALA 82 CO 0.54 0.40 1.61 -2.30 0.00 0.00 0.00 175.76 176.01 2wol n PRO 83 N -0.18 2.62 0.00 0.00 -0.02 -1.26 -0.29 135.00 135.86 2wol n PRO 83 Ca -0.09 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2wol n PRO 83 Cb 0.57 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 2wol n PRO 83 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2wol n ASP 84 N 2.72 0.00 0.11 2.55 2.03 -0.05 -4.73 116.55 119.19 2wol n ASP 84 Ca 0.11 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.39 2wol n ASP 84 Cb 0.35 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.85 2wol n ASP 84 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2wol h LEU 85 N 0.00 0.03-10.09 -2.67 3.38 -0.42 -3.45 115.31 102.09 2wol h LEU 85 Ca 0.00 -0.02 -0.47 0.00 0.09 0.00 0.00 57.88 57.48 2wol h LEU 85 Cb 0.00 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 40.76 2wol h LEU 85 CO 0.00 0.74 0.38 0.00 0.09 0.00 0.00 178.44 179.65 2wol s ALA 86 N -3.40 2.88 -0.24 1.53 0.00 -0.73 -0.80 121.76 121.00 2wol s ALA 86 Ca -0.01 0.54 0.20 0.00 0.00 0.00 0.00 51.96 52.69 2wol s ALA 86 Cb 0.12 -3.23 0.32 0.00 0.00 0.00 0.00 23.12 20.32 2wol s ALA 86 CO 0.78 -0.31 1.57 1.05 0.00 0.00 0.00 175.76 178.85 2wol h GLU 87 N 1.45 0.00 -3.92 0.00 4.11 -0.94 -3.44 114.58 111.84 2wol h GLU 87 Ca -0.49 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.81 2wol h GLU 87 Cb 1.21 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.36 2wol h GLU 87 CO 0.59 0.24 -0.24 0.20 0.07 0.00 0.00 179.01 179.88 2wol s GLY 88 N -4.33 0.87 0.85 1.06 0.00 -1.26 -4.94 107.32 99.57 2wol s GLY 88 Ca 0.05 -1.15 -0.11 0.00 0.00 0.00 0.00 44.72 43.51 2wol s GLY 88 CO 0.69 -0.85 1.14 -4.14 0.00 0.00 0.00 173.10 169.95 2wol s PRO 89 N -3.89 1.50 0.09 2.90 0.02 -1.26 -4.76 135.00 129.59 2wol s PRO 89 Ca 0.27 1.50 -0.37 0.00 0.02 0.00 0.00 61.00 62.42 2wol s PRO 89 Cb 0.01 -1.79 -0.16 0.00 0.02 0.00 0.00 34.50 32.58 2wol s PRO 89 CO 0.11 -2.27 1.36 0.41 -0.33 0.00 0.00 177.00 176.29 2wol n GLY 90 N -0.09 0.52 3.60 0.52 0.00 -1.26 -4.91 105.19 103.57 2wol n GLY 90 Ca 0.11 0.70 -0.42 0.00 0.00 0.00 0.00 46.02 46.42 2wol n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wol s GLU 91 N 0.56 3.88 -0.15 1.61 2.02 0.28 -4.87 118.70 122.03 2wol s GLU 91 Ca 0.84 0.46 -0.15 0.00 0.02 0.00 0.00 54.97 56.14 2wol s GLU 91 Cb -0.94 -3.76 -0.05 0.00 0.10 0.00 0.00 34.13 29.49 2wol s GLU 91 CO 0.46 -0.73 0.32 0.08 0.02 0.00 0.00 175.26 175.42 2wol s VAL 92 N 2.98 5.29 0.28 2.63 1.01 -1.26 -1.29 120.40 130.04 2wol s VAL 92 Ca 0.31 0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.95 2wol s VAL 92 Cb -0.14 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2wol s VAL 92 CO 0.14 0.38 0.23 -0.94 0.00 0.00 0.00 175.10 174.91 2wol s SER 93 N 0.49 1.11 -1.45 3.32 1.04 0.19 -4.92 113.70 113.49 2wol s SER 93 Ca 0.18 -1.62 -0.11 0.00 0.48 0.00 0.00 55.95 54.88 2wol s SER 93 Cb -0.13 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.53 2wol s SER 93 CO 0.05 -0.99 1.09 0.47 0.98 0.00 0.00 173.24 174.84 2wol n ASP 94 N -1.09 -5.61 -3.53 7.02 8.00 -1.26 -1.35 116.55 118.73 2wol n ASP 94 Ca 0.05 -0.66 -0.23 0.00 0.71 0.00 0.00 54.79 54.66 2wol n ASP 94 Cb 0.64 -4.46 0.08 0.00 -0.02 0.00 0.00 41.12 37.36 2wol n ASP 94 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wol n GLY 95 N -1.85 -0.51 1.24 0.44 0.00 -1.26 -2.55 105.19 100.70 2wol n GLY 95 Ca 0.03 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2wol n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wol n GLY 96 N -1.95 0.75 0.07 -0.02 0.00 -1.10 -4.67 105.19 98.27 2wol n GLY 96 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 2wol n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wol n ARG 97 N -2.31 0.64 -4.64 1.61 1.74 -1.06 -1.77 116.66 110.87 2wol n ARG 97 Ca 0.00 0.03 -0.30 0.00 -0.77 0.00 0.00 57.85 56.81 2wol n ARG 97 Cb 0.00 -1.68 -0.17 0.00 -1.02 0.00 0.00 32.46 29.59 2wol n ARG 97 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wol s THR 98 N -3.19 1.70 -0.14 0.55 2.01 -0.46 0.46 115.64 116.58 2wol s THR 98 Ca -0.05 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.19 2wol s THR 98 Cb 0.10 -1.52 0.02 0.00 0.01 0.00 0.00 72.50 71.11 2wol s THR 98 CO 0.84 0.48 -0.14 0.26 -0.69 0.00 0.00 174.62 175.37 2wol s TRP 99 N 0.82 2.11 -0.08 4.92 0.52 -0.27 -0.63 118.94 126.32 2wol s TRP 99 Ca -0.09 -1.13 0.03 0.00 0.02 0.00 0.00 56.10 54.93 2wol s TRP 99 Cb -0.16 -1.54 -0.02 0.00 -1.15 0.00 0.00 33.47 30.60 2wol s TRP 99 CO 0.00 -0.61 -0.17 0.99 0.02 0.00 0.00 176.95 177.18 2wol s THR 100 N 1.34 2.72 0.07 2.01 2.01 -0.41 -0.11 115.64 123.27 2wol s THR 100 Ca 0.01 -0.81 0.07 0.00 0.31 0.00 0.00 61.69 61.27 2wol s THR 100 Cb -0.13 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 2wol s THR 100 CO -0.08 0.56 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.92 2wol s TYR 101 N -0.13 1.53 -0.18 4.92 1.51 -0.30 -0.56 117.35 124.15 2wol s TYR 101 Ca -0.02 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.64 2wol s TYR 101 Cb -0.14 -0.87 0.03 0.00 -0.11 0.00 0.00 41.96 40.86 2wol s TYR 101 CO 0.04 0.11 -0.17 1.03 -1.11 0.00 0.00 175.55 175.45 2wol s ARG 102 N -1.53 2.67 0.26 -0.62 0.52 -1.26 -1.70 118.95 117.27 2wol s ARG 102 Ca 0.04 -0.81 -0.23 0.00 -0.52 0.00 0.00 55.73 54.20 2wol s ARG 102 Cb -0.09 -2.47 -0.09 0.00 0.52 0.00 0.00 34.95 32.82 2wol s ARG 102 CO 0.03 -0.27 0.82 -0.51 0.02 0.00 0.00 175.30 175.39 2wol s LEU 103 N 1.33 4.38 0.47 2.53 1.02 0.72 -0.27 118.68 128.87 2wol s LEU 103 Ca 0.03 1.63 -0.25 0.00 0.02 0.00 0.00 54.13 55.56 2wol s LEU 103 Cb -0.14 -3.72 -0.08 0.00 0.02 0.00 0.00 46.19 42.28 2wol s LEU 103 CO -0.11 0.02 1.42 -0.13 0.02 0.00 0.00 176.35 177.57 2wol s ARG 104 N -1.88 3.59 0.30 1.70 0.52 0.02 -4.80 118.95 118.40 2wol s ARG 104 Ca 0.45 2.41 -0.08 0.00 -0.52 0.00 0.00 55.73 57.98 2wol s ARG 104 Cb -0.18 -2.59 -0.06 0.00 0.52 0.00 0.00 34.95 32.63 2wol s ARG 104 CO 0.23 -0.89 0.62 1.03 0.02 0.00 0.00 175.30 176.31 2wol s ARG 105 N -2.53 3.75 -0.59 3.54 1.81 -1.26 -4.42 118.95 119.25 2wol s ARG 105 Ca 0.63 0.25 0.00 0.00 -1.72 0.00 0.00 55.73 54.89 2wol s ARG 105 Cb -0.44 -2.57 0.00 0.00 -0.45 0.00 0.00 34.95 31.50 2wol s ARG 105 CO 0.55 0.18 0.00 0.41 -0.68 0.00 0.00 175.30 175.76 2wol n GLY 106 N -0.74 0.76 3.84 -3.53 0.00 -1.26 -5.01 105.19 99.26 2wol n GLY 106 Ca 0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 2wol n GLY 106 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wol s LEU 107 N -1.26 3.83 0.03 0.99 1.43 -1.26 -4.97 118.68 117.47 2wol s LEU 107 Ca 0.00 1.47 0.02 0.00 -1.03 0.00 0.00 54.13 54.59 2wol s LEU 107 Cb 0.00 -4.35 -0.02 0.00 0.03 0.00 0.00 46.19 41.85 2wol s LEU 107 CO 0.00 -0.42 -0.06 -0.13 0.23 0.00 0.00 176.35 175.96 2wol s ARG 108 N -3.59 0.46 0.87 1.70 0.52 -1.26 -0.90 118.95 116.75 2wol s ARG 108 Ca 0.58 -0.68 -0.13 0.00 -0.52 0.00 0.00 55.73 54.97 2wol s ARG 108 Cb -0.10 -0.20 0.12 0.00 0.52 0.00 0.00 34.95 35.29 2wol s ARG 108 CO 0.24 0.03 1.21 0.71 0.02 0.00 0.00 175.30 177.50 2wol s TYR 109 N -1.31 2.50 0.52 -0.53 1.51 -0.02 -4.57 117.35 115.45 2wol s TYR 109 Ca -0.11 0.65 0.38 0.00 -1.01 0.00 0.00 57.07 56.99 2wol s TYR 109 Cb -0.09 -3.64 2.07 0.00 -0.11 0.00 0.00 41.96 40.19 2wol s TYR 109 CO 0.00 -2.13 2.16 0.38 -1.11 0.00 0.00 175.55 174.86 2wol h ASP 110 N -1.30 0.00 -0.22 2.29 2.03 -1.51 -0.13 116.42 117.58 2wol h ASP 110 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 2wol h ASP 110 Cb 1.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 2wol h ASP 110 CO 0.58 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.89 2wol n ASP 111 N -2.89 2.43 0.00 4.15 5.75 -1.26 -4.73 116.55 119.99 2wol n ASP 111 Ca -0.03 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 2wol n ASP 111 Cb 0.12 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 2wol n ASP 111 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wol n GLY 112 N 1.29 1.24 3.85 6.12 0.00 -0.06 -5.05 105.19 112.58 2wol n GLY 112 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2wol n GLY 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wol s THR 113 N -2.79 4.59 0.35 2.61 -4.23 -1.26 -4.75 115.64 110.16 2wol s THR 113 Ca 0.00 1.08 -0.26 0.00 -1.18 0.00 0.00 61.69 61.33 2wol s THR 113 Cb 0.00 -3.73 -0.09 0.00 1.34 0.00 0.00 72.50 70.02 2wol s THR 113 CO 0.00 -0.67 1.08 -2.84 -0.54 0.00 0.00 174.62 171.65 2wol s PRO 114 N -4.06 4.34 -0.20 3.99 0.02 -1.26 -0.84 135.00 137.00 2wol s PRO 114 Ca 0.57 1.66 -0.21 0.00 0.02 0.00 0.00 61.00 63.04 2wol s PRO 114 Cb -0.10 -2.81 -0.02 0.00 0.02 0.00 0.00 34.50 31.58 2wol s PRO 114 CO 0.32 -0.01 0.63 0.42 -0.33 0.00 0.00 177.00 178.03 2wol s ILE 115 N -1.44 5.02 0.27 2.83 1.01 -0.08 -4.80 121.20 124.01 2wol s ILE 115 Ca 0.52 1.18 0.05 0.00 0.00 0.00 0.00 60.65 62.41 2wol s ILE 115 Cb -0.27 -3.94 -0.06 0.00 0.01 0.00 0.00 42.46 38.20 2wol s ILE 115 CO 0.34 0.10 -0.03 0.42 0.00 0.00 0.00 174.94 175.77 2wol s THR 116 N 1.95 1.43 0.49 2.92 -4.23 -1.26 -4.67 115.64 112.26 2wol s THR 116 Ca 0.29 -2.09 0.16 0.00 -1.18 0.00 0.00 61.69 58.87 2wol s THR 116 Cb -0.16 -2.44 0.30 0.00 1.34 0.00 0.00 72.50 71.54 2wol s THR 116 CO 0.10 -0.29 2.08 0.77 -0.54 0.00 0.00 174.62 176.74 2wol h SER 117 N 2.32 0.15 -0.59 3.99 4.64 -1.04 -0.58 113.55 122.44 2wol h SER 117 Ca -0.40 -0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.05 2wol h SER 117 Cb 1.23 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 2wol h SER 117 CO 0.67 0.10 0.41 -0.78 -0.87 0.00 0.00 176.83 176.36 2wol h ASP 118 N 0.18 0.23 0.73 4.97 1.82 -1.87 -1.57 116.42 120.89 2wol h ASP 118 Ca 0.12 0.01 -0.17 0.00 -0.39 0.00 0.00 57.03 56.60 2wol h ASP 118 Cb 0.26 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.21 2wol h ASP 118 CO -0.02 0.13 -0.80 0.44 -1.61 0.00 0.00 179.24 177.37 2wol h ASP 119 N 0.25 0.07 -0.09 2.28 3.32 -1.35 -0.06 116.42 120.83 2wol h ASP 119 Ca 0.28 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.16 2wol h ASP 119 Cb 0.78 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.31 2wol h ASP 119 CO -0.06 0.84 -0.42 0.58 -1.72 0.00 0.00 179.24 178.47 2wol h VAL 120 N 0.03 1.39 -0.64 -1.35 2.07 -1.39 -1.39 116.25 114.98 2wol h VAL 120 Ca -0.02 -1.78 0.03 0.00 0.82 0.00 0.00 66.70 65.76 2wol h VAL 120 Cb 1.41 2.25 -0.04 0.00 -1.52 0.00 0.00 31.29 33.39 2wol h VAL 120 CO 0.11 0.52 0.39 -0.09 0.02 0.00 0.00 177.57 178.52 2wol h ARG 121 N -0.01 0.73 -0.67 1.57 2.43 -1.28 -1.96 114.38 115.20 2wol h ARG 121 Ca -0.03 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2wol h ARG 121 Cb 1.06 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 2wol h ARG 121 CO 0.09 0.48 0.43 1.25 -1.51 0.00 0.00 179.97 180.71 2wol h HIS 122 N 0.75 0.82 -0.41 2.20 2.76 -0.94 0.13 115.15 120.46 2wol h HIS 122 Ca 0.26 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.49 2wol h HIS 122 Cb 0.05 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 28.70 2wol h HIS 122 CO -0.06 0.50 0.19 0.00 -1.30 0.00 0.00 177.93 177.27 2wol h ALA 123 N 1.26 0.51 -0.64 5.26 0.00 -0.96 0.54 119.26 125.23 2wol h ALA 123 Ca 0.25 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2wol h ALA 123 Cb -0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2wol h ALA 123 CO -0.07 -0.18 0.14 0.28 0.00 0.00 0.00 179.25 179.42 2wol h VAL 124 N 0.39 1.26 -0.91 0.00 2.07 -0.90 -2.78 116.25 115.37 2wol h VAL 124 Ca 0.18 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 2wol h VAL 124 Cb 0.11 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2wol h VAL 124 CO -0.14 0.36 0.52 1.56 0.02 0.00 0.00 177.57 179.89 2wol h GLN 125 N 0.95 1.27 -0.95 1.57 4.20 -0.31 -2.79 115.11 119.05 2wol h GLN 125 Ca 0.20 -0.14 0.15 0.00 0.06 0.00 0.00 58.65 58.92 2wol h GLN 125 Cb 0.39 -0.25 -0.08 0.00 0.30 0.00 0.00 27.48 27.83 2wol h GLN 125 CO 0.01 0.91 0.60 0.00 -0.67 0.00 0.00 178.83 179.68 2wol h ARG 126 N 1.27 0.74 -0.64 1.46 3.08 -0.62 -1.18 114.38 118.50 2wol h ARG 126 Ca 0.32 -0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.48 2wol h ARG 126 Cb 0.00 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 2wol h ARG 126 CO -0.05 0.49 0.44 0.28 -1.07 0.00 0.00 179.97 180.06 2wol h VAL 127 N 0.76 0.77 0.00 2.04 2.07 -1.44 -0.76 116.25 119.69 2wol h VAL 127 Ca 0.49 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.94 2wol h VAL 127 Cb 0.74 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2wol h VAL 127 CO -0.26 0.04 -0.03 -0.26 0.02 0.00 0.00 177.57 177.08 2wol h PHE 128 N 0.20 0.00 -0.78 1.57 -1.00 -1.34 -3.34 116.94 112.26 2wol h PHE 128 Ca 0.31 0.00 -0.73 0.00 2.81 0.00 0.00 57.97 60.36 2wol h PHE 128 Cb 0.93 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.40 2wol h PHE 128 CO -0.00 0.03 2.70 0.00 -1.61 0.00 0.00 178.31 179.43 2wol n ALA 129 N -2.11 6.17 0.34 2.45 0.00 -0.29 -4.50 120.51 122.56 2wol n ALA 129 Ca 0.00 -4.02 0.14 0.00 0.00 0.00 0.00 53.44 49.56 2wol n ALA 129 Cb 0.31 -3.12 0.60 0.00 0.00 0.00 0.00 19.45 17.24 2wol n ALA 129 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2wol h GLN 130 N 5.38 0.00 0.00 0.00 1.08 -1.81 0.11 115.11 119.87 2wol h GLN 130 Ca 0.60 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.74 2wol h GLN 130 Cb 0.49 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 2wol h GLN 130 CO 1.68 0.00 -0.29 0.38 -0.95 0.00 0.00 178.83 179.65 2wol h ASP 131 N 0.00 0.00 0.00 1.46 2.03 -1.95 -3.27 116.42 114.69 2wol h ASP 131 Ca 0.00 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.10 2wol h ASP 131 Cb 0.37 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.84 2wol h ASP 131 CO 0.00 0.29 -1.75 0.52 -1.03 0.00 0.00 179.24 177.26 2wol n VAL 132 N -3.35 0.76 -2.33 4.15 0.31 -0.68 -4.82 118.33 112.37 2wol n VAL 132 Ca 0.01 -0.34 -0.24 0.00 -0.01 0.00 0.00 64.34 63.75 2wol n VAL 132 Cb 0.51 -0.90 0.01 0.00 -0.91 0.00 0.00 33.84 32.56 2wol n VAL 132 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2wol n LEU 133 N -2.74 4.52 -4.78 7.52 4.77 0.29 -4.49 117.00 122.08 2wol n LEU 133 Ca -0.22 -4.89 -0.32 0.00 -0.03 0.00 0.00 56.01 50.55 2wol n LEU 133 Cb 0.78 -0.34 0.06 0.00 -2.33 0.00 0.00 43.42 41.60 2wol n LEU 133 CO 0.16 2.12 0.71 -2.16 -1.33 0.00 0.00 177.39 176.89 2wol s PRO 134 N -3.55 2.62 0.00 3.23 0.04 -1.23 -4.50 135.00 131.60 2wol s PRO 134 Ca 0.47 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2wol s PRO 134 Cb 0.40 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 33.00 2wol s PRO 134 CO -0.09 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 175.99 2wol n GLY 135 N -1.10 1.53 3.87 0.56 0.00 -1.26 -4.78 105.19 104.01 2wol n GLY 135 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 2wol n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wol s GLY 136 N -1.05 2.57 0.61 -0.02 0.00 -1.20 -3.37 107.32 104.85 2wol s GLY 136 Ca 0.00 -0.95 -0.19 0.00 0.00 0.00 0.00 44.72 43.58 2wol s GLY 136 CO 0.00 -2.02 1.24 -4.14 0.00 0.00 0.00 173.10 168.18 2wol s PRO 137 N -4.18 2.86 -0.07 2.90 0.02 -1.26 -4.97 135.00 130.29 2wol s PRO 137 Ca 0.25 1.91 0.11 0.00 0.02 0.00 0.00 61.00 63.29 2wol s PRO 137 Cb -0.01 -1.92 0.18 0.00 0.02 0.00 0.00 34.50 32.77 2wol s PRO 137 CO 0.16 -1.32 1.09 0.25 -0.33 0.00 0.00 177.00 176.85 2wol n THR 138 N -1.66 1.01 -0.23 0.99 -2.24 -1.26 -4.80 114.28 106.09 2wol n THR 138 Ca 0.14 -1.29 0.23 0.00 -2.27 0.00 0.00 64.05 60.87 2wol n THR 138 Cb 0.49 0.13 0.59 0.00 -2.10 0.00 0.00 70.33 69.45 2wol n THR 138 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2wol h TYR 139 N 0.09 0.35 0.00 4.78 -1.99 -2.01 -2.00 116.97 116.19 2wol h TYR 139 Ca -0.01 0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.67 2wol h TYR 139 Cb 1.21 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.83 2wol h TYR 139 CO 0.09 0.08 -0.27 -0.07 -0.00 0.00 0.00 178.16 177.98 2wol h LEU 140 N 0.25 0.00 0.80 3.88 3.38 -1.98 -3.33 115.31 118.30 2wol h LEU 140 Ca 0.47 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.40 2wol h LEU 140 Cb 1.44 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.20 2wol h LEU 140 CO -0.13 0.27 -0.38 0.40 0.09 0.00 0.00 178.44 178.69 2wol h ILE 141 N 0.00 0.15 0.00 1.22 2.04 -1.75 -1.72 117.51 117.45 2wol h ILE 141 Ca -0.00 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2wol h ILE 141 Cb 0.63 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2wol h ILE 141 CO 0.04 0.01 -0.10 1.55 0.00 0.00 0.00 178.15 179.64 2wol h PRO 142 N -1.16 0.00 0.00 2.37 0.13 -1.75 0.50 132.00 132.08 2wol h PRO 142 Ca -0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.99 2wol h PRO 142 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 2wol h PRO 142 CO 0.18 0.10 -0.12 -0.07 -0.23 0.00 0.00 178.00 177.86 2wol h LEU 143 N 0.00 0.00 0.00 1.56 3.38 -1.61 -3.36 115.31 115.29 2wol h LEU 143 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wol h LEU 143 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2wol h LEU 143 CO 0.01 0.12 -0.40 0.18 0.09 0.00 0.00 178.44 178.45 2wol n LEU 144 N -3.20 0.00 -4.75 1.67 4.77 -0.67 -0.94 117.00 113.88 2wol n LEU 144 Ca 0.01 -0.27 -0.40 0.00 -0.03 0.00 0.00 56.01 55.32 2wol n LEU 144 Cb 0.45 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 2wol n LEU 144 CO 0.32 0.00 0.56 -0.62 -1.33 0.00 0.00 177.39 176.32 2wol s ASP 145 N -1.34 7.41 -0.43 -1.43 2.15 0.12 -4.55 116.67 118.60 2wol s ASP 145 Ca 0.00 1.68 -0.22 0.00 0.43 0.00 0.00 52.55 54.44 2wol s ASP 145 Cb 0.00 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.11 2wol s ASP 145 CO 0.00 0.05 0.69 -0.62 -0.17 0.00 0.00 175.17 175.13 2wol s ASP 146 N -0.44 6.38 0.57 -0.34 -1.08 -1.26 -4.93 116.67 115.57 2wol s ASP 146 Ca 0.41 -0.17 0.26 0.00 -0.52 0.00 0.00 52.55 52.53 2wol s ASP 146 Cb -0.23 -2.34 1.63 0.00 -1.46 0.00 0.00 42.92 40.52 2wol s ASP 146 CO 0.27 -0.79 2.18 -0.65 0.52 0.00 0.00 175.17 176.70 2wol h PRO 147 N 8.83 0.00 0.00 4.34 0.11 -1.97 -0.37 132.00 142.94 2wol h PRO 147 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2wol h PRO 147 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2wol h PRO 147 CO 0.91 0.00 -0.22 0.39 -0.21 0.00 0.00 178.00 178.87 2wol n GLU 148 N -4.03 0.20 -2.96 1.05 1.02 -1.26 -4.38 120.64 110.28 2wol n GLU 148 Ca -0.01 0.12 -0.15 0.00 -0.02 0.00 0.00 57.16 57.10 2wol n GLU 148 Cb 0.17 -1.69 -0.01 0.00 -0.02 0.00 0.00 31.44 29.90 2wol n GLU 148 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2wol n ARG 149 N -2.01 0.71 -1.74 3.49 0.63 -0.22 -5.14 116.66 112.37 2wol n ARG 149 Ca 0.05 -2.42 -0.42 0.00 -0.92 0.00 0.00 57.85 54.15 2wol n ARG 149 Cb 0.41 -1.38 -0.00 0.00 0.45 0.00 0.00 32.46 31.94 2wol n ARG 149 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2wol n PRO 150 N 1.69 2.47 -3.19 -0.14 -0.02 -0.74 -4.36 135.00 130.71 2wol n PRO 150 Ca 0.15 0.87 -0.40 0.00 -2.02 0.00 0.00 63.50 62.10 2wol n PRO 150 Cb 0.58 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 2wol n PRO 150 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2wol s TYR 151 N -1.04 3.30 -1.78 6.00 5.04 -1.26 -4.97 117.35 122.65 2wol s TYR 151 Ca 0.55 0.75 0.10 0.00 -2.44 0.00 0.00 57.07 56.02 2wol s TYR 151 Cb -0.51 -2.75 0.31 0.00 0.35 0.00 0.00 41.96 39.35 2wol s TYR 151 CO 0.62 -0.24 1.22 -0.35 -1.34 0.00 0.00 175.55 175.46 2wol n PRO 152 N 5.37 1.94 0.00 4.97 -0.04 -1.26 -4.96 135.00 141.03 2wol n PRO 152 Ca -0.03 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 2wol n PRO 152 Cb 0.50 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 2wol n PRO 152 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wol n GLY 153 N 0.91 -0.39 0.00 0.55 0.00 -1.26 -4.44 105.19 100.56 2wol n GLY 153 Ca 0.11 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.58 2wol n GLY 153 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wol n PRO 154 N -0.28 0.52 -0.01 1.61 -0.04 -1.26 -2.93 135.00 132.61 2wol n PRO 154 Ca 0.00 0.01 -0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2wol n PRO 154 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 2wol n PRO 154 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wol n TYR 155 N -1.22 0.56 0.32 0.54 4.01 -1.26 -4.34 117.16 115.78 2wol n TYR 155 Ca 0.15 0.19 0.11 0.00 -0.16 0.00 0.00 57.90 58.19 2wol n TYR 155 Cb 0.20 -0.96 -0.02 0.00 -0.31 0.00 0.00 39.34 38.26 2wol n TYR 155 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2wol n ARG 156 N -2.73 0.45 -3.76 -0.72 1.74 -1.15 -4.91 116.66 105.58 2wol n ARG 156 Ca -0.14 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.81 2wol n ARG 156 Cb 0.86 -1.65 -0.09 0.00 -1.02 0.00 0.00 32.46 30.56 2wol n ARG 156 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2wol s THR 157 N -3.31 0.05 -2.86 0.55 -1.32 -1.15 -5.03 115.64 102.57 2wol s THR 157 Ca 0.00 -0.38 0.24 0.00 -1.21 0.00 0.00 61.69 60.35 2wol s THR 157 Cb 0.13 -0.58 0.27 0.00 -1.51 0.00 0.00 72.50 70.81 2wol s THR 157 CO 0.82 -0.21 1.35 -0.90 -2.21 0.00 0.00 174.62 173.47 2wol n ASP 158 N 1.62 2.80 -4.68 8.08 5.68 -1.26 -4.37 116.55 124.42 2wol n ASP 158 Ca -0.20 -1.92 -0.42 0.00 -0.50 0.00 0.00 54.79 51.75 2wol n ASP 158 Cb 0.56 -0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 40.49 2wol n ASP 158 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 2wol s GLU 159 N -1.94 4.32 0.80 0.11 2.12 -1.26 -5.00 118.70 117.84 2wol s GLU 159 Ca 0.31 1.71 -0.14 0.00 0.36 0.00 0.00 54.97 57.21 2wol s GLU 159 Cb 0.20 -3.60 0.08 0.00 0.26 0.00 0.00 34.13 31.07 2wol s GLU 159 CO 0.31 -0.51 1.22 -2.14 -0.54 0.00 0.00 175.26 173.59 2wol s PRO 160 N 2.47 1.68 0.08 4.30 0.02 -1.26 -4.92 135.00 137.37 2wol s PRO 160 Ca 0.57 1.79 -0.33 0.00 0.02 0.00 0.00 61.00 63.04 2wol s PRO 160 Cb -0.25 -1.78 -0.13 0.00 0.02 0.00 0.00 34.50 32.37 2wol s PRO 160 CO 0.21 -2.19 1.72 -0.11 -0.33 0.00 0.00 177.00 176.30 2wol n LEU 161 N -3.21 3.38 0.15 -5.54 7.94 -1.26 -4.87 117.00 113.60 2wol n LEU 161 Ca 0.14 1.03 0.13 0.00 -1.11 0.00 0.00 56.01 56.20 2wol n LEU 161 Cb 0.50 -1.43 0.47 0.00 0.53 0.00 0.00 43.42 43.49 2wol n LEU 161 CO 0.48 -0.13 0.88 0.03 -1.11 0.00 0.00 177.39 177.55 2wol h ARG 162 N 7.40 0.00 -0.01 1.96 3.08 -1.91 -2.32 114.38 122.59 2wol h ARG 162 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2wol h ARG 162 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2wol h ARG 162 CO 0.92 0.00 -0.08 -1.13 -1.07 0.00 0.00 179.97 178.61 2wol n SER 163 N -2.46 1.18 -4.04 7.04 3.41 -1.26 -4.75 113.62 112.74 2wol n SER 163 Ca 0.03 -1.22 -0.31 0.00 -0.26 0.00 0.00 58.87 57.11 2wol n SER 163 Cb 0.33 0.03 -0.16 0.00 -0.26 0.00 0.00 64.21 64.15 2wol n SER 163 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wol s VAL 164 N -2.18 1.86 -0.01 -3.33 1.01 -0.87 -0.20 120.40 116.68 2wol s VAL 164 Ca 0.34 -1.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 2wol s VAL 164 Cb 0.21 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2wol s VAL 164 CO 0.40 0.21 0.06 -0.76 0.00 0.00 0.00 175.10 175.01 2wol s LEU 165 N 1.30 3.81 -0.55 3.92 1.43 0.21 -4.74 118.68 124.06 2wol s LEU 165 Ca -0.02 0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 2wol s LEU 165 Cb -0.16 -2.20 0.20 0.00 0.03 0.00 0.00 46.19 44.06 2wol s LEU 165 CO -0.08 0.28 0.51 0.35 0.23 0.00 0.00 176.35 177.64 2wol n THR 166 N 1.26 0.58 0.16 5.49 -2.24 -1.26 -0.63 114.28 117.64 2wol n THR 166 Ca -0.14 -4.39 0.14 0.00 -2.27 0.00 0.00 64.05 57.39 2wol n THR 166 Cb 0.53 -1.98 0.69 0.00 -2.10 0.00 0.00 70.33 67.47 2wol n THR 166 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2wol h PRO 167 N 4.93 0.00 0.00 -0.78 0.13 -1.98 -3.43 132.00 130.87 2wol h PRO 167 Ca 0.18 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 65.00 2wol h PRO 167 Cb 0.80 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.85 2wol h PRO 167 CO 0.60 0.00 -0.22 -0.40 -0.23 0.00 0.00 178.00 177.75 2wol n ASP 168 N -4.38 -1.06 0.01 1.44 5.68 -1.26 -5.04 116.55 111.93 2wol n ASP 168 Ca 0.02 -2.80 0.05 0.00 -0.50 0.00 0.00 54.79 51.57 2wol n ASP 168 Cb 0.30 2.08 0.24 0.00 -1.14 0.00 0.00 41.12 42.60 2wol n ASP 168 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2wol n GLU 169 N -0.54 0.01 -0.18 0.11 1.02 -1.26 -2.62 120.64 117.18 2wol n GLU 169 Ca 0.02 0.33 0.07 0.00 -0.02 0.00 0.00 57.16 57.57 2wol n GLU 169 Cb 0.54 -1.53 0.10 0.00 -0.02 0.00 0.00 31.44 30.53 2wol n GLU 169 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wol n HIS 170 N -1.55 0.00 -4.00 -0.32 8.25 -1.26 -0.46 115.22 115.89 2wol n HIS 170 Ca 0.02 -0.73 -0.15 0.00 -0.26 0.00 0.00 57.72 56.60 2wol n HIS 170 Cb 0.12 -0.12 -0.15 0.00 1.12 0.00 0.00 29.99 30.96 2wol n HIS 170 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2wol s THR 171 N -2.09 0.21 -0.02 1.59 2.01 -1.08 -0.20 115.64 116.07 2wol s THR 171 Ca 0.23 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.19 2wol s THR 171 Cb 0.20 -0.23 0.01 0.00 0.01 0.00 0.00 72.50 72.49 2wol s THR 171 CO 0.02 0.10 -0.03 -0.51 -0.69 0.00 0.00 174.62 173.51 2wol s ILE 172 N 0.34 0.30 -0.12 1.82 2.07 -0.69 -3.94 121.20 120.97 2wol s ILE 172 Ca -0.03 -0.07 0.02 0.00 -1.41 0.00 0.00 60.65 59.15 2wol s ILE 172 Cb -0.06 -0.31 0.02 0.00 0.13 0.00 0.00 42.46 42.24 2wol s ILE 172 CO -0.01 0.13 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.30 2wol s VAL 173 N 0.45 1.60 -0.29 4.00 1.01 0.19 -1.15 120.40 126.22 2wol s VAL 173 Ca -0.05 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 2wol s VAL 173 Cb -0.08 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 2wol s VAL 173 CO -0.01 0.46 0.13 -0.36 0.00 0.00 0.00 175.10 175.32 2wol s PHE 174 N 1.07 3.15 -0.54 5.22 0.40 0.85 -0.62 117.98 127.51 2wol s PHE 174 Ca -0.04 -0.50 -0.14 0.00 -0.60 0.00 0.00 56.93 55.64 2wol s PHE 174 Cb -0.15 -2.31 0.13 0.00 0.51 0.00 0.00 43.02 41.20 2wol s PHE 174 CO -0.04 -0.41 0.48 1.03 0.70 0.00 0.00 175.22 176.98 2wol s ARG 175 N 1.62 2.90 0.54 0.44 0.52 0.71 -1.11 118.95 124.56 2wol s ARG 175 Ca 0.05 -1.77 -0.16 0.00 -0.52 0.00 0.00 55.73 53.33 2wol s ARG 175 Cb -0.16 -4.21 -0.07 0.00 0.52 0.00 0.00 34.95 31.03 2wol s ARG 175 CO 0.06 -1.29 1.00 -0.51 0.02 0.00 0.00 175.30 174.57 2wol s LEU 176 N 1.45 3.54 0.15 2.53 1.43 0.17 -4.76 118.68 123.20 2wol s LEU 176 Ca 0.05 1.56 0.25 0.00 -1.03 0.00 0.00 54.13 54.96 2wol s LEU 176 Cb -0.28 -4.50 0.92 0.00 0.03 0.00 0.00 46.19 42.36 2wol s LEU 176 CO 0.01 -0.69 1.76 0.35 0.23 0.00 0.00 176.35 178.02 2wol n THR 177 N -1.82 0.57 -3.43 5.49 -2.24 -0.11 -4.86 114.28 107.87 2wol n THR 177 Ca 0.07 -0.04 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 2wol n THR 177 Cb 0.54 -0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 67.99 2wol n THR 177 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wol s ARG 178 N -3.12 1.23 0.37 -0.78 1.70 -1.26 -5.11 118.95 111.98 2wol s ARG 178 Ca 0.09 -0.41 -0.28 0.00 -0.47 0.00 0.00 55.73 54.67 2wol s ARG 178 Cb 0.13 0.57 -0.11 0.00 -0.57 0.00 0.00 34.95 34.96 2wol s ARG 178 CO 0.50 -0.53 1.48 -2.14 -1.08 0.00 0.00 175.30 173.53 2wol s PRO 179 N -3.52 4.12 -0.30 3.89 0.02 -1.26 -4.60 135.00 133.35 2wol s PRO 179 Ca 0.00 2.56 -0.01 0.00 0.02 0.00 0.00 61.00 63.57 2wol s PRO 179 Cb -0.01 -2.97 0.13 0.00 0.02 0.00 0.00 34.50 31.66 2wol s PRO 179 CO -0.11 -0.52 0.24 0.12 -0.33 0.00 0.00 177.00 176.40 2wol s PHE 180 N -1.09 -0.11 0.54 6.54 5.36 -0.73 -4.69 117.98 123.81 2wol s PHE 180 Ca 0.53 -0.56 0.22 0.00 -0.96 0.00 0.00 56.93 56.17 2wol s PHE 180 Cb -0.46 -0.64 1.45 0.00 -0.34 0.00 0.00 43.02 43.03 2wol s PHE 180 CO 0.62 -0.89 2.12 0.66 -1.46 0.00 0.00 175.22 176.27 2wol h SER 181 N 8.15 0.00 -0.77 6.13 4.64 -1.64 -3.08 113.55 126.98 2wol h SER 181 Ca -0.13 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.96 2wol h SER 181 Cb 1.04 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.00 2wol h SER 181 CO 0.36 0.00 0.30 0.47 -0.87 0.00 0.00 176.83 177.08 2wol n ASP 182 N -4.27 4.86 -0.01 4.97 8.00 -1.26 -4.68 116.55 124.16 2wol n ASP 182 Ca 0.01 -3.24 0.01 0.00 0.71 0.00 0.00 54.79 52.28 2wol n ASP 182 Cb 0.26 -0.76 0.33 0.00 -0.02 0.00 0.00 41.12 40.93 2wol n ASP 182 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2wol h PHE 183 N 2.66 0.55 -0.55 1.24 3.57 -1.95 -1.32 116.94 121.14 2wol h PHE 183 Ca 0.29 -0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.86 2wol h PHE 183 Cb 2.39 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 40.93 2wol h PHE 183 CO 1.33 0.48 0.37 -0.44 -2.23 0.00 0.00 178.31 177.82 2wol h ASP 184 N 0.53 0.25 -0.51 0.41 3.32 -1.90 -1.03 116.42 117.50 2wol h ASP 184 Ca 0.12 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 2wol h ASP 184 Cb 0.21 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2wol h ASP 184 CO -0.00 0.15 0.01 0.45 -1.72 0.00 0.00 179.24 178.13 2wol h HIS 185 N 0.28 0.97 -0.25 4.55 3.86 -1.61 -2.52 115.15 120.42 2wol h HIS 185 Ca 0.26 -0.16 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 2wol h HIS 185 Cb 0.63 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 2wol h HIS 185 CO -0.00 0.90 -0.08 -0.07 0.86 0.00 0.00 177.93 179.54 2wol h LEU 186 N 0.76 0.38 0.00 2.43 3.38 -1.20 -1.86 115.31 119.19 2wol h LEU 186 Ca 0.15 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wol h LEU 186 Cb 0.50 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2wol h LEU 186 CO 0.02 0.51 0.00 0.23 0.09 0.00 0.00 178.44 179.29 2wol n MET 187 N -4.26 0.47 0.00 1.13 2.81 -0.67 -2.71 117.12 113.89 2wol n MET 187 Ca 0.00 0.03 0.12 0.00 -1.81 0.00 0.00 57.70 56.04 2wol n MET 187 Cb 0.27 -1.50 0.14 0.00 -0.71 0.00 0.00 33.22 31.42 2wol n MET 187 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wol n ALA 188 N -1.23 2.65 -2.46 3.04 0.00 -0.70 -3.17 120.51 118.63 2wol n ALA 188 Ca 0.14 -0.65 -0.35 0.00 0.00 0.00 0.00 53.44 52.58 2wol n ALA 188 Cb 0.19 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 2wol n ALA 188 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2wol s GLN 189 N -2.08 3.88 0.64 0.00 -1.52 -1.10 -4.83 119.66 114.64 2wol s GLN 189 Ca 0.28 0.34 0.37 0.00 -1.95 0.00 0.00 55.36 54.40 2wol s GLN 189 Cb 0.20 -2.96 2.11 0.00 -0.22 0.00 0.00 33.01 32.14 2wol s GLN 189 CO 0.35 0.51 2.28 -1.00 -0.25 0.00 0.00 175.29 177.18 2wol h PRO 190 N 3.62 0.00 0.00 2.91 0.13 -1.90 -0.24 132.00 136.52 2wol h PRO 190 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2wol h PRO 190 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2wol h PRO 190 CO 0.66 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 2wol n ALA 192 N -1.56 2.39 -1.91 0.00 0.00 -0.10 -4.25 120.51 115.07 2wol n ALA 192 Ca 0.03 -0.82 -0.41 0.00 0.00 0.00 0.00 53.44 52.23 2wol n ALA 192 Cb 0.16 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 2wol n ALA 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wol s ALA 193 N -1.15 3.59 0.38 0.00 0.00 -0.85 -4.67 121.76 119.07 2wol s ALA 193 Ca 0.22 1.25 -0.27 0.00 0.00 0.00 0.00 51.96 53.16 2wol s ALA 193 Cb 0.14 -3.53 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 2wol s ALA 193 CO 0.19 -0.67 1.42 -0.35 0.00 0.00 0.00 175.76 176.36 2wol n PRO 194 N 2.34 2.45 -3.86 0.00 -0.04 -1.26 -4.71 135.00 129.92 2wol n PRO 194 Ca 0.06 0.86 -0.27 0.00 -0.04 0.00 0.00 63.50 64.12 2wol n PRO 194 Cb 0.41 -2.57 -0.17 0.00 -0.04 0.00 0.00 33.50 31.13 2wol n PRO 194 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wol s VAL 195 N -1.13 0.89 0.02 0.52 1.01 -0.67 -4.92 120.40 116.12 2wol s VAL 195 Ca 0.55 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 2wol s VAL 195 Cb -0.50 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 2wol s VAL 195 CO 0.62 0.21 1.10 -2.16 0.00 0.00 0.00 175.10 174.88 2wol s PRO 196 N 1.74 4.48 0.34 2.72 0.04 -1.26 -4.24 135.00 138.82 2wol s PRO 196 Ca 0.03 1.60 0.09 0.00 0.04 0.00 0.00 61.00 62.76 2wol s PRO 196 Cb -0.14 -3.41 0.81 0.00 0.04 0.00 0.00 34.50 31.80 2wol s PRO 196 CO -0.07 -0.18 1.84 -0.09 0.04 0.00 0.00 177.00 178.53 2wol h ARG 197 N 6.85 0.69 -0.56 4.56 2.43 -1.92 -1.10 114.38 125.33 2wol h ARG 197 Ca -0.41 -0.04 0.16 0.00 -0.81 0.00 0.00 59.98 58.89 2wol h ARG 197 Cb 1.21 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 2wol h ARG 197 CO 0.79 0.45 0.40 0.07 -1.51 0.00 0.00 179.97 180.18 2wol h ARG 198 N 0.71 0.00 -0.18 0.20 0.11 -2.03 -1.78 114.38 111.40 2wol h ARG 198 Ca 0.49 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.57 2wol h ARG 198 Cb 0.81 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.89 2wol h ARG 198 CO -0.25 0.00 0.00 0.43 0.10 0.00 0.00 179.97 180.25 2wol n SER 199 N -4.37 2.61 -4.54 0.08 7.64 -0.44 -4.93 113.62 109.67 2wol n SER 199 Ca 0.10 -1.76 -0.41 0.00 1.01 0.00 0.00 58.87 57.81 2wol n SER 199 Cb 0.64 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 2wol n SER 199 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wol s ASP 200 N -1.15 6.27 -0.06 6.43 2.15 -0.67 -4.84 116.67 124.80 2wol s ASP 200 Ca 0.22 -0.82 0.05 0.00 0.43 0.00 0.00 52.55 52.44 2wol s ASP 200 Cb 0.14 -2.54 0.26 0.00 -0.30 0.00 0.00 42.92 40.47 2wol s ASP 200 CO 0.19 -1.69 0.99 0.35 -0.17 0.00 0.00 175.17 174.84 2wol n THR 201 N 6.44 0.77 0.00 1.71 -2.24 -1.26 -5.00 114.28 114.70 2wol n THR 201 Ca 0.11 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2wol n THR 201 Cb 0.49 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2wol n THR 201 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wol n GLY 202 N 0.39 4.06 0.33 3.38 0.00 -1.26 -2.21 105.19 109.89 2wol n GLY 202 Ca 0.09 0.06 0.18 0.00 0.00 0.00 0.00 46.02 46.35 2wol n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wol h ALA 203 N -0.87 1.47 -0.42 4.61 0.00 -1.95 -1.35 119.26 120.74 2wol h ALA 203 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wol h ALA 203 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2wol h ALA 203 CO 0.00 -0.20 0.00 -0.25 0.00 0.00 0.00 179.25 178.80 2wol n ASP 204 N -3.42 3.47 -0.28 0.00 8.00 -0.94 -4.62 116.55 118.76 2wol n ASP 204 Ca -0.01 -1.99 0.04 0.00 0.71 0.00 0.00 54.79 53.54 2wol n ASP 204 Cb 0.25 -0.27 0.26 0.00 -0.02 0.00 0.00 41.12 41.33 2wol n ASP 204 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2wol h TYR 205 N 4.40 1.00 0.00 1.24 3.20 -1.37 -1.40 116.97 124.03 2wol h TYR 205 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2wol h TYR 205 Cb 0.97 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 2wol h TYR 205 CO 0.27 0.54 -0.00 0.78 -1.64 0.00 0.00 178.16 178.10 2wol h GLY 206 N 0.99 0.00 2.00 1.82 0.00 -1.82 -1.29 103.07 104.77 2wol h GLY 206 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2wol h GLY 206 CO -0.13 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.62 2wol h ARG 207 N 0.00 0.00 0.00 4.80 3.08 -1.61 -3.39 114.38 117.27 2wol h ARG 207 Ca -0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 2wol h ARG 207 Cb 0.05 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.96 2wol h ARG 207 CO 0.00 0.00 -0.43 -3.47 -1.07 0.00 0.00 179.97 175.00 2wol n ASP 208 N -2.79 -2.57 -4.82 7.04 2.03 -0.71 -5.08 116.55 109.65 2wol n ASP 208 Ca 0.03 -3.34 -0.33 0.00 0.52 0.00 0.00 54.79 51.67 2wol n ASP 208 Cb 0.43 1.80 -0.07 0.00 -0.72 0.00 0.00 41.12 42.56 2wol n ASP 208 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2wol s PRO 209 N 0.49 4.21 0.57 -0.67 0.04 -0.57 -4.94 135.00 134.14 2wol s PRO 209 Ca 0.28 1.04 -0.17 0.00 0.04 0.00 0.00 61.00 62.18 2wol s PRO 209 Cb 0.25 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2wol s PRO 209 CO -0.17 0.05 1.07 1.03 0.04 0.00 0.00 177.00 179.03 2wol s ARG 210 N -3.01 3.34 -0.08 4.56 1.81 -1.26 -4.87 118.95 119.45 2wol s ARG 210 Ca 0.59 1.34 0.05 0.00 -1.72 0.00 0.00 55.73 55.99 2wol s ARG 210 Cb -0.10 -2.03 -0.01 0.00 -0.45 0.00 0.00 34.95 32.36 2wol s ARG 210 CO 0.15 -0.81 -0.24 0.45 -0.68 0.00 0.00 175.30 174.17 2wol s SER 211 N -2.41 3.03 0.00 0.23 0.15 -1.26 -4.96 113.70 108.48 2wol s SER 211 Ca 0.66 -0.52 0.14 0.00 0.70 0.00 0.00 55.95 56.93 2wol s SER 211 Cb -0.18 -1.09 -0.02 0.00 -1.71 0.00 0.00 66.02 63.02 2wol s SER 211 CO 0.32 0.20 0.77 -1.54 1.20 0.00 0.00 173.24 174.19 2wol n SER 212 N 3.22 1.41 -4.17 5.45 3.41 -1.11 -1.25 113.62 120.59 2wol n SER 212 Ca -0.18 -1.20 -0.22 0.00 -0.26 0.00 0.00 58.87 57.00 2wol n SER 212 Cb 0.52 0.53 0.13 0.00 -0.26 0.00 0.00 64.21 65.14 2wol n SER 212 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wol n GLY 213 N 1.11 0.11 0.22 5.00 0.00 -0.27 -4.28 105.19 107.08 2wol n GLY 213 Ca 0.06 -1.94 0.15 0.00 0.00 0.00 0.00 46.02 44.29 2wol n GLY 213 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wol h PRO 214 N 0.00 0.00 -5.66 1.61 0.13 -1.79 -3.42 132.00 122.87 2wol h PRO 214 Ca -0.32 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.34 2wol h PRO 214 Cb 1.11 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.07 2wol h PRO 214 CO 0.31 0.00 -0.76 0.71 -0.23 0.00 0.00 178.00 178.03 2wol s TYR 215 N -3.62 1.65 0.15 1.56 1.51 -0.48 -0.01 117.35 118.12 2wol s TYR 215 Ca 0.00 -0.53 0.05 0.00 -1.01 0.00 0.00 57.07 55.58 2wol s TYR 215 Cb 0.09 -0.82 -0.04 0.00 -0.11 0.00 0.00 41.96 41.08 2wol s TYR 215 CO 0.40 0.28 -0.10 -0.98 -1.11 0.00 0.00 175.55 174.03 2wol s ARG 216 N -3.03 1.07 -0.09 -0.62 1.70 0.32 -4.33 118.95 113.97 2wol s ARG 216 Ca 0.16 -1.45 -0.30 0.00 -0.47 0.00 0.00 55.73 53.68 2wol s ARG 216 Cb -0.04 -0.65 -0.04 0.00 -0.57 0.00 0.00 34.95 33.65 2wol s ARG 216 CO 0.05 0.08 1.53 0.08 -1.08 0.00 0.00 175.30 175.96 2wol s VAL 217 N -3.27 3.81 -0.14 4.99 1.01 -1.26 -1.35 120.40 124.19 2wol s VAL 217 Ca 0.16 0.98 -0.06 0.00 0.00 0.00 0.00 61.98 63.06 2wol s VAL 217 Cb 0.02 -3.63 -0.25 0.00 0.00 0.00 0.00 36.38 32.52 2wol s VAL 217 CO 0.01 -0.09 0.30 0.00 0.00 0.00 0.00 175.10 175.33 2wol n ALA 218 N 6.94 0.94 -3.63 5.51 0.00 0.62 -4.88 120.51 126.01 2wol n ALA 218 Ca 0.16 -0.64 -0.12 0.00 0.00 0.00 0.00 53.44 52.85 2wol n ALA 218 Cb 0.43 -0.62 -0.07 0.00 0.00 0.00 0.00 19.45 19.19 2wol n ALA 218 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2wol s ARG 219 N -2.55 0.78 -0.14 0.00 3.52 -1.02 -4.99 118.95 114.54 2wol s ARG 219 Ca -0.24 1.04 0.00 0.00 -0.13 0.00 0.00 55.73 56.40 2wol s ARG 219 Cb 0.07 0.32 0.03 0.00 -1.56 0.00 0.00 34.95 33.80 2wol s ARG 219 CO 0.75 -0.11 -0.11 -1.58 -0.81 0.00 0.00 175.30 173.43 2wol s HIS 220 N 0.74 1.93 -0.32 5.12 5.65 -1.26 -0.45 115.29 126.71 2wol s HIS 220 Ca -0.03 -1.07 -0.04 0.00 0.25 0.00 0.00 55.06 54.17 2wol s HIS 220 Cb -0.05 -1.46 0.05 0.00 -1.18 0.00 0.00 32.58 29.93 2wol s HIS 220 CO -0.06 -0.62 0.05 -2.00 -0.65 0.00 0.00 174.74 171.46 2wol s GLU 221 N 1.56 2.48 0.16 2.88 2.56 -0.04 -5.01 118.70 123.30 2wol s GLU 221 Ca 0.04 -1.26 -0.33 0.00 0.00 0.00 0.00 54.97 53.43 2wol s GLU 221 Cb -0.13 -3.30 -0.16 0.00 2.00 0.00 0.00 34.13 32.54 2wol s GLU 221 CO -0.10 -0.66 1.12 -2.30 -0.56 0.00 0.00 175.26 172.77 2wol n PRO 222 N 4.69 1.00 -1.30 4.30 -0.02 -1.26 -1.06 135.00 141.34 2wol n PRO 222 Ca -0.12 0.35 -0.10 0.00 -2.02 0.00 0.00 63.50 61.61 2wol n PRO 222 Cb 0.44 -1.83 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 2wol n PRO 222 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wol n ASP 223 N 1.99 -5.56 0.11 2.55 8.00 -1.26 -4.71 116.55 117.66 2wol n ASP 223 Ca 0.16 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.92 2wol n ASP 223 Cb 0.23 -3.99 0.00 0.00 -0.02 0.00 0.00 41.12 37.34 2wol n ASP 223 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2wol n THR 224 N -2.26 0.44 -3.48 -3.53 -1.04 -0.22 -4.38 114.28 99.80 2wol n THR 224 Ca -0.10 0.14 -0.12 0.00 -2.04 0.00 0.00 64.05 61.93 2wol n THR 224 Cb 0.56 -0.90 -0.03 0.00 -1.82 0.00 0.00 70.33 68.14 2wol n THR 224 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2wol s LEU 225 N -6.93 -0.30 -0.08 -4.42 0.05 -0.59 -1.47 118.68 104.93 2wol s LEU 225 Ca 0.00 -0.07 -0.03 0.00 0.05 0.00 0.00 54.13 54.08 2wol s LEU 225 Cb 0.00 2.39 0.04 0.00 -2.05 0.00 0.00 46.19 46.57 2wol s LEU 225 CO 0.00 -0.93 0.13 -0.22 -0.55 0.00 0.00 176.35 174.78 2wol s LEU 226 N -2.73 0.02 -0.12 1.48 2.96 -0.35 -0.86 118.68 119.08 2wol s LEU 226 Ca 0.01 0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 54.07 2wol s LEU 226 Cb -0.00 0.11 -0.02 0.00 0.50 0.00 0.00 46.19 46.77 2wol s LEU 226 CO -0.12 -0.26 -0.10 -1.00 -1.32 0.00 0.00 176.35 173.55 2wol s HIS 227 N 2.24 2.88 -0.08 5.38 3.76 0.40 -0.23 115.29 129.65 2wol s HIS 227 Ca 0.04 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 54.58 2wol s HIS 227 Cb -0.12 -1.83 -0.02 0.00 1.11 0.00 0.00 32.58 31.71 2wol s HIS 227 CO -0.05 -0.04 -0.16 -0.51 -0.85 0.00 0.00 174.74 173.13 2wol s LEU 228 N 0.07 2.61 0.35 0.89 1.43 0.80 -0.28 118.68 124.55 2wol s LEU 228 Ca -0.03 -0.29 0.09 0.00 -1.03 0.00 0.00 54.13 52.86 2wol s LEU 228 Cb -0.14 -1.54 -0.06 0.00 0.03 0.00 0.00 46.19 44.48 2wol s LEU 228 CO 0.04 0.27 -0.02 -1.83 0.23 0.00 0.00 176.35 175.04 2wol s GLU 229 N -0.28 1.98 0.38 1.70 -1.05 -0.46 -1.53 118.70 119.44 2wol s GLU 229 Ca 0.02 -1.86 -0.28 0.00 -0.15 0.00 0.00 54.97 52.70 2wol s GLU 229 Cb -0.13 -1.82 -0.10 0.00 -0.44 0.00 0.00 34.13 31.64 2wol s GLU 229 CO 0.03 0.10 1.44 1.03 0.95 0.00 0.00 175.26 178.82 2wol s ARG 230 N -3.69 4.08 -0.44 -4.83 0.52 -1.25 -0.52 118.95 112.83 2wol s ARG 230 Ca 0.34 2.48 -0.27 0.00 -0.52 0.00 0.00 55.73 57.77 2wol s ARG 230 Cb 0.02 -2.93 0.03 0.00 0.52 0.00 0.00 34.95 32.58 2wol s ARG 230 CO 0.18 -0.52 1.00 1.21 0.02 0.00 0.00 175.30 177.19 2wol s ASN 231 N -0.27 6.59 0.26 0.23 3.84 0.98 -4.59 114.94 122.00 2wol s ASN 231 Ca 0.53 0.36 0.23 0.00 0.21 0.00 0.00 52.86 54.19 2wol s ASN 231 Cb -0.45 -2.49 1.00 0.00 -0.55 0.00 0.00 41.25 38.77 2wol s ASN 231 CO 0.60 -1.07 1.69 -0.81 -2.79 0.00 0.00 177.10 174.73 2wol n PRO 232 N 7.28 0.18 0.00 0.43 -0.04 -1.26 -2.38 135.00 139.21 2wol n PRO 232 Ca 0.08 0.46 0.09 0.00 -0.04 0.00 0.00 63.50 64.10 2wol n PRO 232 Cb 0.48 -1.88 0.01 0.00 -0.04 0.00 0.00 33.50 32.08 2wol n PRO 232 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2wol n HIS 233 N -2.22 0.00 -2.24 0.54 8.25 -1.26 -4.94 115.22 113.35 2wol n HIS 233 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 2wol n HIS 233 Cb 0.19 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.27 2wol n HIS 233 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2wol s TRP 234 N -2.06 3.28 -0.37 4.41 -0.00 -1.00 -4.49 118.94 118.71 2wol s TRP 234 Ca 0.17 1.29 -0.04 0.00 -0.00 0.00 0.00 56.10 57.52 2wol s TRP 234 Cb 0.16 -3.57 0.08 0.00 -0.00 0.00 0.00 33.47 30.13 2wol s TRP 234 CO 0.43 -1.72 0.13 0.34 -0.00 0.00 0.00 176.95 176.13 2wol s ASP 235 N 0.19 5.21 0.33 5.86 -1.08 -1.26 -4.98 116.67 120.94 2wol s ASP 235 Ca 0.55 -1.58 0.10 0.00 -0.52 0.00 0.00 52.55 51.10 2wol s ASP 235 Cb -0.36 -1.82 0.88 0.00 -1.46 0.00 0.00 42.92 40.16 2wol s ASP 235 CO 0.39 -0.42 1.75 -0.09 0.52 0.00 0.00 175.17 177.32 2wol h ARG 236 N 8.11 0.59 0.00 4.34 2.43 -1.94 -0.23 114.38 127.68 2wol h ARG 236 Ca -0.18 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 2wol h ARG 236 Cb 1.06 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2wol h ARG 236 CO 0.64 0.39 0.00 0.00 -1.51 0.00 0.00 179.97 179.49 2wol h ALA 237 N 1.69 1.00 -0.02 2.80 0.00 -1.98 -2.69 119.26 120.05 2wol h ALA 237 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2wol h ALA 237 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2wol h ALA 237 CO -0.42 0.00 -0.10 0.25 0.00 0.00 0.00 179.25 178.98 2wol n THR 238 N -2.58 0.00 -3.93 0.00 -2.24 -0.10 -4.89 114.28 100.54 2wol n THR 238 Ca 0.01 -0.45 -0.34 0.00 -2.27 0.00 0.00 64.05 60.99 2wol n THR 238 Cb 0.20 1.38 -0.14 0.00 -2.10 0.00 0.00 70.33 69.68 2wol n THR 238 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wol s ASP 239 N -1.86 4.85 0.00 3.42 -1.08 -1.02 -4.94 116.67 116.04 2wol s ASP 239 Ca 0.22 -1.40 0.31 0.00 -0.52 0.00 0.00 52.55 51.16 2wol s ASP 239 Cb 0.17 -1.69 1.60 0.00 -1.46 0.00 0.00 42.92 41.53 2wol s ASP 239 CO 0.32 -0.28 2.06 -0.81 0.52 0.00 0.00 175.17 176.98 2wol n PRO 240 N 4.57 1.18 -0.08 4.34 -0.04 -1.26 -4.25 135.00 139.46 2wol n PRO 240 Ca -0.12 -0.31 -0.14 0.00 -0.04 0.00 0.00 63.50 62.89 2wol n PRO 240 Cb 0.43 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.33 2wol n PRO 240 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2wol n ILE 241 N -0.64 0.93 -3.79 0.52 2.08 -1.26 -4.87 119.36 112.32 2wol n ILE 241 Ca 0.22 -0.30 -0.37 0.00 0.56 0.00 0.00 62.75 62.86 2wol n ILE 241 Cb 0.20 -1.37 -0.13 0.00 -0.75 0.00 0.00 39.64 37.59 2wol n ILE 241 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2wol s ARG 242 N -2.32 3.25 0.37 0.38 0.52 -1.26 -4.58 118.95 115.32 2wol s ARG 242 Ca -0.23 -0.74 0.26 0.00 -0.52 0.00 0.00 55.73 54.50 2wol s ARG 242 Cb 0.07 -3.28 0.68 0.00 0.52 0.00 0.00 34.95 32.94 2wol s ARG 242 CO 0.34 -0.34 1.72 -1.00 0.02 0.00 0.00 175.30 176.04 2wol h PRO 243 N 8.20 0.00 -6.82 3.54 0.13 -1.92 -3.49 132.00 131.65 2wol h PRO 243 Ca -0.35 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.21 2wol h PRO 243 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2wol h PRO 243 CO 0.60 0.00 -1.00 0.00 -0.23 0.00 0.00 178.00 177.37 2wol n ALA 244 N -1.98 -2.59 -0.02 -0.56 0.00 -1.26 -4.92 120.51 109.18 2wol n ALA 244 Ca 0.04 -0.53 -0.12 0.00 0.00 0.00 0.00 53.44 52.84 2wol n ALA 244 Cb 0.44 -2.85 -0.10 0.00 0.00 0.00 0.00 19.45 16.95 2wol n ALA 244 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wol h LEU 245 N -2.50 -0.05-10.11 0.00 3.38 -1.84 -3.46 115.31 100.73 2wol h LEU 245 Ca -0.71 -0.62 -0.50 0.00 0.09 0.00 0.00 57.88 56.14 2wol h LEU 245 Cb 1.40 0.01 0.08 0.00 0.09 0.00 0.00 40.66 42.24 2wol h LEU 245 CO 0.52 0.67 0.42 -2.16 0.09 0.00 0.00 178.44 177.98 2wol s PRO 246 N -2.97 3.24 0.36 1.13 0.04 -1.26 -0.50 135.00 135.04 2wol s PRO 246 Ca -0.15 1.58 0.19 0.00 0.04 0.00 0.00 61.00 62.66 2wol s PRO 246 Cb -0.01 -1.99 0.41 0.00 0.04 0.00 0.00 34.50 32.95 2wol s PRO 246 CO 0.57 -0.93 1.60 -0.44 0.04 0.00 0.00 177.00 177.84 2wol h ASP 247 N 0.99 0.00 -4.99 6.66 3.45 -1.13 -3.44 116.42 117.95 2wol h ASP 247 Ca -0.49 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 56.86 2wol h ASP 247 Cb 1.26 0.00 -0.20 0.00 -0.56 0.00 0.00 39.33 39.83 2wol h ASP 247 CO 0.56 0.34 -0.16 -0.60 -1.57 0.00 0.00 179.24 177.82 2wol s ARG 248 N -3.24 0.77 -0.10 3.56 3.52 -1.10 -3.78 118.95 118.56 2wol s ARG 248 Ca 0.03 -0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.56 2wol s ARG 248 Cb 0.08 0.35 0.02 0.00 -1.56 0.00 0.00 34.95 33.84 2wol s ARG 248 CO 0.70 -0.22 -0.12 0.08 -0.81 0.00 0.00 175.30 174.93 2wol s VAL 249 N -1.30 1.28 -0.21 7.11 1.01 -0.59 -1.01 120.40 126.70 2wol s VAL 249 Ca -0.13 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2wol s VAL 249 Cb -0.04 -1.21 0.04 0.00 0.00 0.00 0.00 36.38 35.17 2wol s VAL 249 CO 0.06 0.40 -0.15 -1.61 0.00 0.00 0.00 175.10 173.80 2wol s GLU 250 N 1.19 2.55 -0.26 2.72 2.02 -0.10 -0.14 118.70 126.68 2wol s GLU 250 Ca -0.04 -1.01 -0.11 0.00 0.02 0.00 0.00 54.97 53.82 2wol s GLU 250 Cb -0.14 -2.65 -0.05 0.00 0.10 0.00 0.00 34.13 31.39 2wol s GLU 250 CO -0.03 -0.38 0.21 -1.17 0.02 0.00 0.00 175.26 173.91 2wol s LEU 251 N 1.24 4.07 -0.15 1.80 2.96 0.69 -0.19 118.68 129.10 2wol s LEU 251 Ca -0.01 0.11 -0.15 0.00 -0.22 0.00 0.00 54.13 53.85 2wol s LEU 251 Cb -0.16 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 2wol s LEU 251 CO -0.09 -0.01 0.36 -0.89 -1.32 0.00 0.00 176.35 174.40 2wol s THR 252 N 1.44 5.26 0.01 3.68 2.01 -0.20 -1.22 115.64 126.63 2wol s THR 252 Ca 0.09 0.69 0.08 0.00 0.31 0.00 0.00 61.69 62.86 2wol s THR 252 Cb -0.15 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2wol s THR 252 CO 0.08 0.35 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.51 2wol s ILE 253 N 0.60 2.41 0.00 1.82 1.01 -0.54 -1.28 121.20 125.23 2wol s ILE 253 Ca 0.20 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2wol s ILE 253 Cb -0.14 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.40 2wol s ILE 253 CO 0.06 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.06 2wol n GLY 254 N 1.98 0.95 3.77 6.18 0.00 -0.65 -4.17 105.19 113.25 2wol n GLY 254 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 2wol n GLY 254 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wol s LEU 255 N 0.00 4.24 0.43 0.99 1.43 -1.22 -4.93 118.68 119.62 2wol s LEU 255 Ca 0.00 2.19 -0.24 0.00 -1.03 0.00 0.00 54.13 55.05 2wol s LEU 255 Cb 0.00 -4.01 -0.10 0.00 0.03 0.00 0.00 46.19 42.11 2wol s LEU 255 CO 0.00 -0.49 1.08 -0.67 0.23 0.00 0.00 176.35 176.50 2wol n ASP 256 N 0.24 1.57 -0.07 2.29 2.03 -1.26 -4.30 116.55 117.04 2wol n ASP 256 Ca 0.03 1.04 0.02 0.00 0.52 0.00 0.00 54.79 56.41 2wol n ASP 256 Cb 0.47 -1.39 0.34 0.00 -0.72 0.00 0.00 41.12 39.82 2wol n ASP 256 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2wol h VAL 257 N 1.62 1.15 0.08 5.18 -1.51 -1.95 0.73 116.25 121.56 2wol h VAL 257 Ca -0.45 -0.35 -0.26 0.00 -1.23 0.00 0.00 66.70 64.41 2wol h VAL 257 Cb 1.33 0.44 0.01 0.00 -2.13 0.00 0.00 31.29 30.94 2wol h VAL 257 CO 0.57 0.16 -1.14 0.44 -1.23 0.00 0.00 177.57 176.37 2wol h ASP 258 N 0.70 0.59 -0.39 4.19 3.32 -2.00 -2.41 116.42 120.42 2wol h ASP 258 Ca 0.18 -0.55 0.05 0.00 0.02 0.00 0.00 57.03 56.74 2wol h ASP 258 Cb -0.01 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.31 2wol h ASP 258 CO -0.03 1.38 0.12 0.58 -1.72 0.00 0.00 179.24 179.56 2wol h VAL 259 N 0.18 0.86 -0.04 -1.35 2.07 -1.83 -1.79 116.25 114.35 2wol h VAL 259 Ca -0.13 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.33 2wol h VAL 259 Cb 1.82 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 2wol h VAL 259 CO 0.20 0.05 -0.20 0.25 0.02 0.00 0.00 177.57 177.88 2wol h LEU 260 N 0.26 -0.61 -0.62 2.57 6.46 -0.81 -1.63 115.31 120.94 2wol h LEU 260 Ca 0.18 0.09 0.04 0.00 -0.12 0.00 0.00 57.88 58.07 2wol h LEU 260 Cb 0.18 0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.33 2wol h LEU 260 CO -0.20 -0.26 0.36 0.44 -0.62 0.00 0.00 178.44 178.16 2wol h ASP 261 N -0.30 0.57 -0.49 1.25 3.32 -1.26 0.14 116.42 119.65 2wol h ASP 261 Ca 0.07 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2wol h ASP 261 Cb 0.40 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2wol h ASP 261 CO -0.22 0.39 0.24 0.00 -1.72 0.00 0.00 179.24 177.93 2wol h ALA 262 N 1.29 0.63 -0.02 3.45 0.00 -1.06 -0.80 119.26 122.74 2wol h ALA 262 Ca 0.26 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2wol h ALA 262 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2wol h ALA 262 CO -0.13 0.19 -0.77 0.00 0.00 0.00 0.00 179.25 178.54 2wol h ARG 263 N 0.64 0.18 0.16 0.00 3.08 -1.02 -1.45 114.38 115.97 2wol h ARG 263 Ca 0.17 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2wol h ARG 263 Cb 0.11 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2wol h ARG 263 CO -0.02 0.86 -0.08 1.25 -1.07 0.00 0.00 179.97 180.92 2wol h LEU 264 N 0.11 -0.18 -1.39 3.04 5.85 -0.84 -0.62 115.31 121.28 2wol h LEU 264 Ca -0.03 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 2wol h LEU 264 Cb 1.35 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 2wol h LEU 264 CO 0.12 -0.00 -0.02 0.40 -0.34 0.00 0.00 178.44 178.60 2wol h ILE 265 N -0.35 1.17 0.00 4.05 2.04 -1.09 -1.16 117.51 122.16 2wol h ILE 265 Ca -0.02 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.18 2wol h ILE 265 Cb 0.28 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2wol h ILE 265 CO 0.04 0.22 0.00 0.00 0.00 0.00 0.00 178.15 178.41 2wol n ALA 266 N -2.49 1.72 -0.38 1.87 0.00 -0.55 -4.26 120.51 116.42 2wol n ALA 266 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2wol n ALA 266 Cb 0.22 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2wol n ALA 266 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wol n GLY 267 N 0.14 0.78 0.20 0.00 0.00 -0.44 -4.78 105.19 101.09 2wol n GLY 267 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 2wol n GLY 267 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wol h GLU 268 N 3.13 0.00 -5.87 1.61 4.81 -1.32 -3.43 114.58 113.51 2wol h GLU 268 Ca 0.00 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.73 2wol h GLU 268 Cb 0.00 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 29.18 2wol h GLU 268 CO 0.00 0.33 -0.80 -0.06 -0.73 0.00 0.00 179.01 177.75 2wol s PHE 269 N -3.61 1.65 -0.12 0.92 0.40 -1.22 -5.00 117.98 110.99 2wol s PHE 269 Ca 0.00 -0.46 -0.25 0.00 -0.60 0.00 0.00 56.93 55.62 2wol s PHE 269 Cb 0.11 -0.88 -0.26 0.00 0.51 0.00 0.00 43.02 42.49 2wol s PHE 269 CO 0.67 0.20 0.70 -0.44 0.70 0.00 0.00 175.22 177.06 2wol h ASP 270 N 3.83 0.14 -4.14 1.36 3.32 -0.94 -3.43 116.42 116.57 2wol h ASP 270 Ca -0.43 -0.91 -0.15 0.00 0.02 0.00 0.00 57.03 55.56 2wol h ASP 270 Cb 1.19 -0.05 -0.24 0.00 0.22 0.00 0.00 39.33 40.45 2wol h ASP 270 CO 0.44 1.22 -0.38 -0.63 -1.72 0.00 0.00 179.24 178.16 2wol s ILE 271 N -2.31 0.02 -0.52 0.35 -1.09 -1.16 -3.43 121.20 113.06 2wol s ILE 271 Ca -0.19 -0.15 -0.28 0.00 -2.23 0.00 0.00 60.65 57.80 2wol s ILE 271 Cb -0.00 -0.43 0.03 0.00 -1.58 0.00 0.00 42.46 40.48 2wol s ILE 271 CO 0.72 -0.08 1.12 0.21 -1.23 0.00 0.00 174.94 175.67 2wol s ASN 272 N -0.25 6.53 0.13 3.58 3.84 -1.26 -1.96 114.94 125.54 2wol s ASN 272 Ca -0.04 0.23 -0.13 0.00 0.21 0.00 0.00 52.86 53.14 2wol s ASN 272 Cb -0.03 -2.53 -0.03 0.00 -0.55 0.00 0.00 41.25 38.11 2wol s ASN 272 CO 0.01 -1.31 1.51 0.25 -2.79 0.00 0.00 177.10 174.77 2wol h LEU 273 N 11.38 0.84 -1.14 3.21 5.85 -1.23 -3.16 115.31 131.06 2wol h LEU 273 Ca -0.24 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.14 2wol h LEU 273 Cb 1.06 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 2wol h LEU 273 CO 1.13 1.04 0.59 -0.08 -0.34 0.00 0.00 178.44 180.79 2wol h GLU 274 N 0.63 1.03 -1.26 1.25 4.81 -1.91 -3.46 114.58 115.67 2wol h GLU 274 Ca 0.09 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.07 2wol h GLU 274 Cb 0.72 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2wol h GLU 274 CO 0.05 0.68 -0.24 0.41 -0.73 0.00 0.00 179.01 179.19 2wol n GLY 275 N -1.40 0.12 0.00 1.92 0.00 -1.20 -4.68 105.19 99.96 2wol n GLY 275 Ca 0.13 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 45.78 2wol n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wol n ARG 276 N -2.03 0.90 0.00 1.61 1.74 -1.26 -4.98 116.66 112.63 2wol n ARG 276 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 2wol n ARG 276 Cb 0.55 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 2wol n ARG 276 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wol n GLY 277 N 0.73 -0.47 3.76 -0.13 0.00 -1.26 -4.86 105.19 102.96 2wol n GLY 277 Ca 0.18 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 2wol n GLY 277 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wol s LEU 278 N -2.23 4.45 0.91 0.99 1.43 0.69 -4.94 118.68 119.98 2wol s LEU 278 Ca 0.00 2.58 -0.15 0.00 -1.03 0.00 0.00 54.13 55.54 2wol s LEU 278 Cb 0.00 -3.64 0.16 0.00 0.03 0.00 0.00 46.19 42.74 2wol s LEU 278 CO 0.00 -0.47 1.27 -1.10 0.23 0.00 0.00 176.35 176.28 2wol s GLN 279 N -1.53 1.10 0.17 1.70 -1.52 -1.26 -4.65 119.66 113.68 2wol s GLN 279 Ca 0.49 -0.21 -0.16 0.00 -1.95 0.00 0.00 55.36 53.53 2wol s GLN 279 Cb -0.38 -1.88 0.13 0.00 -0.22 0.00 0.00 33.01 30.65 2wol s GLN 279 CO 0.49 -2.13 1.67 0.45 -0.25 0.00 0.00 175.29 175.52 2wol h HIS 280 N -1.44 -0.19 -0.29 0.91 3.86 -1.98 0.19 115.15 116.20 2wol h HIS 280 Ca -0.45 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 2wol h HIS 280 Cb 1.27 0.15 -0.02 0.00 1.06 0.00 0.00 27.41 29.88 2wol h HIS 280 CO -0.62 -0.17 0.19 0.00 0.86 0.00 0.00 177.93 178.19 2wol h ALA 281 N 1.43 0.37 -0.03 2.45 0.00 -2.00 -1.98 119.26 119.49 2wol h ALA 281 Ca 0.21 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2wol h ALA 281 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2wol h ALA 281 CO -0.44 -0.17 -0.67 0.00 0.00 0.00 0.00 179.25 177.98 2wol h ALA 282 N 1.11 0.82 -0.03 0.00 0.00 -1.80 -2.62 119.26 116.74 2wol h ALA 282 Ca 0.11 -0.59 0.03 0.00 0.00 0.00 0.00 54.91 54.46 2wol h ALA 282 Cb -0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2wol h ALA 282 CO -0.03 0.79 -0.21 1.96 0.00 0.00 0.00 179.25 181.76 2wol h GLN 283 N 0.10 -0.31 -0.15 0.00 4.20 -0.29 0.16 115.11 118.81 2wol h GLN 283 Ca -0.01 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 2wol h GLN 283 Cb 1.19 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 2wol h GLN 283 CO 0.10 -0.21 -0.36 0.07 -0.67 0.00 0.00 178.83 177.76 2wol h ARG 284 N -0.33 0.31 -0.04 1.46 0.11 -1.34 -1.81 114.38 112.74 2wol h ARG 284 Ca 0.07 -0.13 -0.01 0.00 0.10 0.00 0.00 59.98 60.00 2wol h ARG 284 Cb 0.42 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.49 2wol h ARG 284 CO -0.22 0.63 -0.03 -0.09 0.10 0.00 0.00 179.97 180.37 2wol h ARG 285 N 0.26 0.09 -0.29 0.08 2.43 -1.23 -3.02 114.38 112.70 2wol h ARG 285 Ca 0.03 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 2wol h ARG 285 Cb 0.76 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 2wol h ARG 285 CO 0.06 0.50 -0.51 0.00 -1.51 0.00 0.00 179.97 178.51 2wol h ALA 286 N 0.58 0.54 0.00 2.80 0.00 -0.62 -2.88 119.26 119.68 2wol h ALA 286 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2wol h ALA 286 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2wol h ALA 286 CO 0.01 0.68 0.00 1.79 0.00 0.00 0.00 179.25 181.73 2wol h THR 287 N 0.65 0.00 0.00 0.00 1.35 -1.44 -2.42 112.91 111.04 2wol h THR 287 Ca 0.02 -0.66 -0.11 0.00 -0.55 0.00 0.00 66.41 65.10 2wol h THR 287 Cb 1.10 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 69.13 2wol h THR 287 CO 0.11 0.00 -1.63 0.00 -0.25 0.00 0.00 175.52 173.76 2wol n ALA 288 N -1.99 2.24 -2.69 6.62 0.00 -1.14 -4.89 120.51 118.66 2wol n ALA 288 Ca 0.03 -0.58 -0.38 0.00 0.00 0.00 0.00 53.44 52.51 2wol n ALA 288 Cb 0.41 -0.82 -0.07 0.00 0.00 0.00 0.00 19.45 18.96 2wol n ALA 288 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wol s ASP 289 N -5.30 6.42 0.26 0.00 -1.08 -1.09 -4.99 116.67 110.89 2wol s ASP 289 Ca -0.05 0.50 -0.04 0.00 -0.52 0.00 0.00 52.55 52.44 2wol s ASP 289 Cb 0.10 -2.21 0.33 0.00 -1.46 0.00 0.00 42.92 39.67 2wol s ASP 289 CO 0.84 -0.02 1.84 -0.08 0.52 0.00 0.00 175.17 178.27 2wol h GLU 290 N 7.17 1.02 -0.12 4.34 4.57 -1.90 0.15 114.58 129.81 2wol h GLU 290 Ca -0.38 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 57.61 2wol h GLU 290 Cb 1.16 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 29.57 2wol h GLU 290 CO 0.72 0.82 -0.04 0.28 -1.18 0.00 0.00 179.01 179.61 2wol h VAL 291 N 1.00 1.30 -0.52 0.32 2.07 -1.92 -3.11 116.25 115.40 2wol h VAL 291 Ca 0.24 -1.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 2wol h VAL 291 Cb 0.17 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2wol h VAL 291 CO -0.02 0.30 0.14 -0.07 0.02 0.00 0.00 177.57 177.93 2wol h LEU 292 N -0.08 0.73 -1.32 2.57 3.38 -1.71 -2.43 115.31 116.46 2wol h LEU 292 Ca 0.03 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 57.98 2wol h LEU 292 Cb 0.49 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 2wol h LEU 292 CO 0.02 0.72 0.53 0.03 0.09 0.00 0.00 178.44 179.83 2wol h ARG 293 N 0.77 0.73 0.00 1.13 3.08 -0.18 -1.29 114.38 118.62 2wol h ARG 293 Ca 0.17 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2wol h ARG 293 Cb 0.27 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2wol h ARG 293 CO -0.00 0.48 0.00 -1.13 -1.07 0.00 0.00 179.97 178.25 2wol n SER 294 N -4.51 0.49 -1.11 7.04 3.41 -0.91 -2.08 113.62 115.95 2wol n SER 294 Ca 0.14 0.63 0.08 0.00 -0.26 0.00 0.00 58.87 59.46 2wol n SER 294 Cb 0.33 -0.73 0.27 0.00 -0.26 0.00 0.00 64.21 63.82 2wol n SER 294 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wol n HIS 295 N -2.05 0.96 -5.08 7.33 8.25 -0.49 -1.10 115.22 123.04 2wol n HIS 295 Ca 0.02 -0.59 -0.28 0.00 -0.26 0.00 0.00 57.72 56.60 2wol n HIS 295 Cb 0.20 -0.14 -0.16 0.00 1.12 0.00 0.00 29.99 31.02 2wol n HIS 295 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2wol s THR 296 N -1.55 1.74 -0.00 1.59 2.01 -0.88 -1.04 115.64 117.50 2wol s THR 296 Ca 0.40 -0.92 0.06 0.00 0.31 0.00 0.00 61.69 61.53 2wol s THR 296 Cb 0.25 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 2wol s THR 296 CO 0.21 0.49 -0.18 -1.81 -0.69 0.00 0.00 174.62 172.64 2wol s ASP 297 N -0.30 3.77 -0.54 3.53 1.01 -0.20 -1.31 116.67 122.63 2wol s ASP 297 Ca 0.03 -0.34 0.07 0.00 0.71 0.00 0.00 52.55 53.02 2wol s ASP 297 Cb -0.10 -0.66 0.31 0.00 1.01 0.00 0.00 42.92 43.47 2wol s ASP 297 CO 0.01 0.30 0.81 -3.20 0.21 0.00 0.00 175.17 173.31 2wol n ASN 298 N 1.99 3.23 -4.88 0.27 5.15 -1.26 -0.71 115.26 119.06 2wol n ASN 298 Ca -0.16 -3.41 -0.30 0.00 -0.60 0.00 0.00 54.58 50.10 2wol n ASN 298 Cb 0.52 -0.61 0.02 0.00 -0.53 0.00 0.00 39.78 39.18 2wol n ASN 298 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2wol s PRO 299 N -2.80 3.32 0.38 1.20 0.04 -1.17 -4.72 135.00 131.25 2wol s PRO 299 Ca 0.44 0.62 -0.26 0.00 0.04 0.00 0.00 61.00 61.84 2wol s PRO 299 Cb 0.25 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 2wol s PRO 299 CO -0.09 -0.73 1.14 1.03 0.04 0.00 0.00 177.00 178.40 2wol s ARG 300 N -5.23 4.18 0.00 4.56 0.52 -1.26 -1.69 118.95 120.03 2wol s ARG 300 Ca 0.56 1.80 0.24 0.00 -0.52 0.00 0.00 55.73 57.80 2wol s ARG 300 Cb -0.11 -2.75 0.31 0.00 0.52 0.00 0.00 34.95 32.91 2wol s ARG 300 CO 0.53 -0.20 1.28 0.25 0.02 0.00 0.00 175.30 177.18 2wol n THR 301 N 0.26 0.00 -0.91 0.02 -2.24 -0.68 -4.69 114.28 106.05 2wol n THR 301 Ca 0.03 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wol n THR 301 Cb 0.46 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 2wol n THR 301 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2wol n SER 302 N -1.29 -0.72 -4.81 3.42 7.64 -1.26 -4.48 113.62 112.11 2wol n SER 302 Ca 0.06 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.60 2wol n SER 302 Cb 0.34 -0.69 -0.07 0.00 -1.01 0.00 0.00 64.21 62.78 2wol n SER 302 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2wol s PHE 303 N -3.01 3.41 -0.11 1.43 0.40 -1.26 -4.62 117.98 114.21 2wol s PHE 303 Ca 0.00 1.66 0.02 0.00 -0.60 0.00 0.00 56.93 58.00 2wol s PHE 303 Cb 0.00 -2.88 -0.01 0.00 0.51 0.00 0.00 43.02 40.64 2wol s PHE 303 CO 0.00 -0.05 -0.17 -1.17 0.70 0.00 0.00 175.22 174.53 2wol s LEU 304 N -2.87 2.50 -0.21 -0.37 2.96 0.72 -1.23 118.68 120.19 2wol s LEU 304 Ca 0.59 -0.39 -0.12 0.00 -0.22 0.00 0.00 54.13 53.99 2wol s LEU 304 Cb -0.12 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 2wol s LEU 304 CO 0.16 0.18 0.20 -1.00 -1.32 0.00 0.00 176.35 174.58 2wol s HIS 305 N 0.23 3.38 0.21 5.38 3.76 -0.12 -1.00 115.29 127.13 2wol s HIS 305 Ca -0.11 0.38 -0.11 0.00 -0.15 0.00 0.00 55.06 55.07 2wol s HIS 305 Cb -0.16 -2.28 -0.00 0.00 1.11 0.00 0.00 32.58 31.25 2wol s HIS 305 CO 0.06 0.17 0.40 -0.59 -0.85 0.00 0.00 174.74 173.93 2wol s PHE 306 N 0.73 0.37 -0.13 1.40 -0.12 -0.66 -1.29 117.98 118.28 2wol s PHE 306 Ca 0.11 -0.72 0.00 0.00 -0.05 0.00 0.00 56.93 56.27 2wol s PHE 306 Cb -0.13 0.09 -0.01 0.00 -0.63 0.00 0.00 43.02 42.34 2wol s PHE 306 CO 0.02 -0.88 -0.14 0.08 -0.05 0.00 0.00 175.22 174.26 2wol s VAL 307 N -3.99 2.94 -0.10 -2.49 1.01 -0.28 -1.90 120.40 115.59 2wol s VAL 307 Ca 0.20 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 2wol s VAL 307 Cb 0.01 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2wol s VAL 307 CO 0.05 0.52 0.13 0.00 0.00 0.00 0.00 175.10 175.80 2wol s ALA 308 N 0.45 3.83 -0.07 5.51 0.00 0.06 -0.20 121.76 131.34 2wol s ALA 308 Ca -0.10 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.21 2wol s ALA 308 Cb -0.16 -1.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 2wol s ALA 308 CO 0.05 0.64 -0.16 -1.64 0.00 0.00 0.00 175.76 174.64 2wol s MET 309 N -1.16 2.74 -0.41 0.00 -1.94 0.82 -0.86 119.30 118.49 2wol s MET 309 Ca 0.17 -0.74 -0.08 0.00 -1.71 0.00 0.00 55.69 53.33 2wol s MET 309 Cb -0.12 -2.40 0.08 0.00 2.01 0.00 0.00 34.83 34.40 2wol s MET 309 CO 0.06 0.47 0.24 -0.65 -0.01 0.00 0.00 175.02 175.12 2wol s GLN 310 N -0.33 2.53 0.62 2.03 1.11 -0.61 -4.35 119.66 120.67 2wol s GLN 310 Ca 0.03 -1.48 0.32 0.00 0.01 0.00 0.00 55.36 54.23 2wol s GLN 310 Cb -0.13 -3.72 1.75 0.00 -1.01 0.00 0.00 33.01 29.90 2wol s GLN 310 CO 0.02 -0.94 2.07 -1.35 0.01 0.00 0.00 175.29 175.10 2wol h PRO 311 N 8.34 0.00 0.00 2.91 0.11 -1.74 -0.27 132.00 141.35 2wol h PRO 311 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2wol h PRO 311 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2wol h PRO 311 CO 0.74 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.14 2wol n HIS 312 N -3.43 0.00 -3.87 0.65 1.44 -1.26 -3.26 115.22 105.49 2wol n HIS 312 Ca 0.01 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.38 2wol n HIS 312 Cb 0.35 -0.28 -0.13 0.00 0.12 0.00 0.00 29.99 30.05 2wol n HIS 312 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2wol s ILE 313 N -2.55 2.95 0.48 0.61 -1.09 -0.11 -5.04 121.20 116.44 2wol s ILE 313 Ca 0.20 -2.45 -0.23 0.00 -2.23 0.00 0.00 60.65 55.95 2wol s ILE 313 Cb 0.14 -3.05 -0.09 0.00 -1.58 0.00 0.00 42.46 37.89 2wol s ILE 313 CO 0.32 -0.71 1.06 -2.65 -1.23 0.00 0.00 174.94 171.73 2wol n PRO 314 N 4.13 1.36 -0.54 2.79 -0.02 -1.26 -1.01 135.00 140.44 2wol n PRO 314 Ca 0.02 0.49 0.03 0.00 -2.02 0.00 0.00 63.50 62.02 2wol n PRO 314 Cb 0.40 -2.17 0.23 0.00 -0.02 0.00 0.00 33.50 31.94 2wol n PRO 314 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2wol n PRO 315 N -0.23 3.18 0.00 0.52 -0.04 -1.26 -4.94 135.00 132.23 2wol n PRO 315 Ca 0.10 -1.84 0.12 0.00 -0.04 0.00 0.00 63.50 61.84 2wol n PRO 315 Cb 0.42 -1.93 0.71 0.00 -0.04 0.00 0.00 33.50 32.65 2wol n PRO 315 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2wol n PHE 316 N 0.31 0.00 0.27 0.54 3.01 -0.18 -2.20 117.46 119.21 2wol n PHE 316 Ca 0.18 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.79 2wol n PHE 316 Cb 0.83 0.00 0.69 0.00 -0.01 0.00 0.00 39.48 40.99 2wol n PHE 316 CO 0.00 0.00 0.00 0.38 1.01 0.00 0.00 176.76 178.15 2wol h ASP 317 N 0.00 0.00 -3.49 4.37 2.03 -1.70 -3.32 116.42 114.31 2wol h ASP 317 Ca 0.00 0.00 -0.61 0.00 -0.73 0.00 0.00 57.03 55.69 2wol h ASP 317 Cb 0.00 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 38.39 2wol h ASP 317 CO 0.00 0.06 0.08 0.21 -1.03 0.00 0.00 179.24 178.56 2wol s ASN 318 N -5.80 6.57 0.51 4.15 3.84 -0.93 -4.95 114.94 118.33 2wol s ASN 318 Ca 0.00 0.69 0.21 0.00 0.21 0.00 0.00 52.86 53.97 2wol s ASN 318 Cb 0.10 -2.32 1.31 0.00 -0.55 0.00 0.00 41.25 39.79 2wol s ASN 318 CO 0.56 -0.30 2.03 1.62 -2.79 0.00 0.00 177.10 178.22 2wol h VAL 319 N 5.31 0.83 -0.00 -5.21 3.04 -1.89 -2.10 116.25 116.23 2wol h VAL 319 Ca -0.29 -0.02 -0.18 0.00 -1.01 0.00 0.00 66.70 65.19 2wol h VAL 319 Cb 1.14 0.76 -0.02 0.00 -2.01 0.00 0.00 31.29 31.16 2wol h VAL 319 CO 0.75 0.01 -0.82 0.45 -1.01 0.00 0.00 177.57 176.96 2wol h HIS 320 N 0.07 0.19 -0.51 3.17 3.86 -1.92 0.08 115.15 120.08 2wol h HIS 320 Ca 0.19 -0.10 0.02 0.00 -1.16 0.00 0.00 60.37 59.32 2wol h HIS 320 Cb 0.68 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 2wol h HIS 320 CO -0.00 0.89 0.31 0.28 0.86 0.00 0.00 177.93 180.27 2wol h VAL 321 N 0.08 1.07 -0.47 2.45 2.07 -1.62 -0.48 116.25 119.35 2wol h VAL 321 Ca -0.03 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 2wol h VAL 321 Cb 1.43 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2wol h VAL 321 CO 0.12 0.11 -0.16 0.03 0.02 0.00 0.00 177.57 177.69 2wol h ARG 322 N 0.63 0.95 -0.37 1.57 3.08 -1.16 -2.34 114.38 116.73 2wol h ARG 322 Ca 0.20 -0.38 -0.10 0.00 0.07 0.00 0.00 59.98 59.76 2wol h ARG 322 Cb -0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2wol h ARG 322 CO -0.08 1.05 -0.19 0.00 -1.07 0.00 0.00 179.97 179.67 2wol h ARG 323 N 0.79 0.70 -0.58 0.04 3.08 -0.93 -2.32 114.38 115.17 2wol h ARG 323 Ca 0.11 -0.26 0.06 0.00 0.07 0.00 0.00 59.98 59.97 2wol h ARG 323 Cb 0.73 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.68 2wol h ARG 323 CO 0.06 0.84 0.27 0.00 -1.07 0.00 0.00 179.97 180.07 2wol h ALA 324 N 1.17 0.75 -0.62 0.04 0.00 -0.80 -0.63 119.26 119.18 2wol h ALA 324 Ca 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2wol h ALA 324 Cb 0.67 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2wol h ALA 324 CO 0.05 -0.09 0.34 0.28 0.00 0.00 0.00 179.25 179.82 2wol h VAL 325 N 0.51 1.20 -0.25 0.00 2.07 -1.16 -1.19 116.25 117.44 2wol h VAL 325 Ca 0.27 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2wol h VAL 325 Cb 0.23 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2wol h VAL 325 CO -0.21 0.21 0.14 1.56 0.02 0.00 0.00 177.57 179.30 2wol h GLN 326 N 0.84 0.34 -0.35 1.57 1.08 -0.86 -2.42 115.11 115.31 2wol h GLN 326 Ca 0.22 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.32 2wol h GLN 326 Cb 0.04 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 2wol h GLN 326 CO -0.03 0.28 -0.03 1.88 -0.95 0.00 0.00 178.83 179.98 2wol h TYR 327 N 0.30 0.59 -0.09 2.96 0.99 -0.92 -2.96 116.97 117.83 2wol h TYR 327 Ca 0.09 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.75 2wol h TYR 327 Cb 0.04 -0.17 0.00 0.00 1.00 0.00 0.00 36.73 37.60 2wol h TYR 327 CO -0.04 0.59 0.00 0.00 -0.00 0.00 0.00 178.16 178.71 2wol n ALA 328 N -2.48 2.56 -2.26 3.88 0.00 -0.47 -0.89 120.51 120.85 2wol n ALA 328 Ca 0.01 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 2wol n ALA 328 Cb 0.27 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 2wol n ALA 328 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wol s ALA 329 N -1.89 3.59 -0.80 0.00 0.00 -0.93 -4.32 121.76 117.41 2wol s ALA 329 Ca 0.34 0.76 -0.22 0.00 0.00 0.00 0.00 51.96 52.85 2wol s ALA 329 Cb 0.18 -3.62 0.08 0.00 0.00 0.00 0.00 23.12 19.77 2wol s ALA 329 CO 0.28 -1.03 1.11 0.34 0.00 0.00 0.00 175.76 176.46 2wol s ASP 330 N 2.09 6.36 0.43 0.00 -1.08 -1.25 -3.61 116.67 119.61 2wol s ASP 330 Ca 0.62 -1.34 0.14 0.00 -0.52 0.00 0.00 52.55 51.45 2wol s ASP 330 Cb -0.29 -2.45 0.93 0.00 -1.46 0.00 0.00 42.92 39.65 2wol s ASP 330 CO 0.24 -1.37 1.95 0.11 0.52 0.00 0.00 175.17 176.62 2wol h LYS 331 N 9.41 0.02 -0.03 4.34 1.79 -1.64 -0.23 116.57 130.22 2wol h LYS 331 Ca -0.08 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 2wol h LYS 331 Cb 1.05 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2wol h LYS 331 CO 1.20 0.24 -0.04 0.82 -1.08 0.00 0.00 179.45 180.59 2wol h ILE 332 N 0.01 1.41 -0.90 1.86 1.08 -1.89 -1.06 117.51 118.03 2wol h ILE 332 Ca 0.00 -1.26 0.02 0.00 -0.39 0.00 0.00 64.86 63.23 2wol h ILE 332 Cb 0.40 2.19 -0.05 0.00 -3.07 0.00 0.00 36.82 36.29 2wol h ILE 332 CO 0.03 0.34 0.59 0.25 -0.69 0.00 0.00 178.15 178.67 2wol h LEU 333 N -0.42 1.01 -0.58 1.44 5.85 -1.81 -0.14 115.31 120.66 2wol h LEU 333 Ca 0.00 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 2wol h LEU 333 Cb 0.57 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2wol h LEU 333 CO 0.01 0.72 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.58 2wol h LEU 334 N 1.19 0.96 -0.59 2.25 3.38 -1.04 -1.26 115.31 120.20 2wol h LEU 334 Ca 0.34 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2wol h LEU 334 Cb -0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 2wol h LEU 334 CO -0.09 1.11 -0.11 -0.61 0.09 0.00 0.00 178.44 178.83 2wol h GLN 335 N 0.83 1.00 -0.63 1.13 4.15 -0.88 -2.64 115.11 118.07 2wol h GLN 335 Ca 0.12 -0.37 -0.01 0.00 0.77 0.00 0.00 58.65 59.16 2wol h GLN 335 Cb 0.73 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.33 2wol h GLN 335 CO 0.06 1.05 0.34 -0.44 -1.93 0.00 0.00 178.83 177.91 2wol h ASP 336 N 0.89 0.77 0.37 -0.69 3.32 -0.75 0.42 116.42 120.74 2wol h ASP 336 Ca 0.14 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 2wol h ASP 336 Cb 0.67 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 2wol h ASP 336 CO 0.05 0.63 -0.15 0.00 -1.72 0.00 0.00 179.24 178.05 2wol h ALA 337 N 1.50 1.33 -0.01 3.45 0.00 -1.01 -2.48 119.26 122.04 2wol h ALA 337 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wol h ALA 337 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2wol h ALA 337 CO -0.04 0.18 -0.17 -2.13 0.00 0.00 0.00 179.25 177.10 2wol n ARG 338 N -3.74 1.27 0.00 0.00 3.00 -0.04 -4.52 116.66 112.63 2wol n ARG 338 Ca -0.02 -0.81 0.00 0.00 -0.00 0.00 0.00 57.85 57.03 2wol n ARG 338 Cb 0.26 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.23 2wol n ARG 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wol n GLY 339 N 1.29 0.25 3.57 5.14 0.00 -0.70 -4.49 105.19 110.25 2wol n GLY 339 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2wol n GLY 339 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wol s GLY 340 N -0.26 1.58 0.39 -0.02 0.00 -0.17 -1.90 107.32 106.95 2wol s GLY 340 Ca 0.00 -0.01 0.27 0.00 0.00 0.00 0.00 44.72 44.98 2wol s GLY 340 CO 0.00 0.62 1.77 -0.56 0.00 0.00 0.00 173.10 174.93 2wol h PRO 341 N -2.29 0.00 0.00 2.90 0.13 -1.89 -3.42 132.00 127.44 2wol h PRO 341 Ca -0.56 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2wol h PRO 341 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2wol h PRO 341 CO 0.50 0.00 -1.04 1.33 -0.23 0.00 0.00 178.00 178.56 2wol n VAL 342 N -2.77 0.00 -2.47 1.56 0.24 -1.26 -4.75 118.33 108.89 2wol n VAL 342 Ca 0.03 -0.19 -0.14 0.00 -2.04 0.00 0.00 64.34 62.01 2wol n VAL 342 Cb 0.40 0.51 0.03 0.00 -1.47 0.00 0.00 33.84 33.31 2wol n VAL 342 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2wol n ASN 343 N -1.57 3.21 -1.50 -1.34 4.13 -0.80 -4.86 115.26 112.52 2wol n ASN 343 Ca -0.01 -2.97 -0.12 0.00 1.68 0.00 0.00 54.58 53.16 2wol n ASN 343 Cb 0.14 -0.43 0.16 0.00 -1.54 0.00 0.00 39.78 38.11 2wol n ASN 343 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wol n GLY 344 N -0.55 5.19 7.00 7.41 0.00 -1.16 -4.24 105.19 118.83 2wol n GLY 344 Ca 0.25 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2wol n GLY 344 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wol n GLY 345 N -1.05 -0.27 3.12 -0.02 0.00 -1.26 -4.70 105.19 101.01 2wol n GLY 345 Ca 0.40 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 2wol n GLY 345 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wol s ASP 346 N -4.00 3.70 0.29 1.61 -1.08 0.49 -4.90 116.67 112.78 2wol s ASP 346 Ca 0.00 -0.89 -0.29 0.00 -0.52 0.00 0.00 52.55 50.85 2wol s ASP 346 Cb 0.00 -1.53 -0.13 0.00 -1.46 0.00 0.00 42.92 39.80 2wol s ASP 346 CO 0.00 -0.07 1.16 0.18 0.52 0.00 0.00 175.17 176.96 2wol n LEU 347 N 4.57 2.55 -3.87 -1.34 4.77 -1.26 -0.15 117.00 122.27 2wol n LEU 347 Ca -0.18 1.18 -0.11 0.00 -0.03 0.00 0.00 56.01 56.87 2wol n LEU 347 Cb 0.47 -1.37 -0.12 0.00 -2.33 0.00 0.00 43.42 40.07 2wol n LEU 347 CO 0.25 -0.97 -0.26 0.28 -1.33 0.00 0.00 177.39 175.36 2wol s THR 348 N -0.90 0.04 -1.62 -5.08 -1.32 -0.95 -4.75 115.64 101.05 2wol s THR 348 Ca 0.59 -0.30 0.14 0.00 -1.21 0.00 0.00 61.69 60.91 2wol s THR 348 Cb -0.66 -0.22 0.18 0.00 -1.51 0.00 0.00 72.50 70.29 2wol s THR 348 CO 0.59 -0.17 1.04 0.35 -2.21 0.00 0.00 174.62 174.22 2wol n THR 349 N 2.45 0.24 -4.18 5.08 -2.24 -1.26 -4.22 114.28 110.15 2wol n THR 349 Ca -0.16 -0.62 -0.10 0.00 -2.27 0.00 0.00 64.05 60.89 2wol n THR 349 Cb 0.58 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.87 2wol n THR 349 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wol n ALA 350 N 0.79 0.30 -0.13 6.98 0.00 -1.25 -4.58 120.51 122.62 2wol n ALA 350 Ca 0.10 -0.93 -0.26 0.00 0.00 0.00 0.00 53.44 52.35 2wol n ALA 350 Cb 0.38 0.69 -0.09 0.00 0.00 0.00 0.00 19.45 20.43 2wol n ALA 350 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wol n LEU 351 N 0.00 1.94 -4.74 0.00 4.77 -1.26 -4.81 117.00 112.90 2wol n LEU 351 Ca 0.00 0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.92 2wol n LEU 351 Cb 0.28 -0.83 -0.02 0.00 -2.33 0.00 0.00 43.42 40.52 2wol n LEU 351 CO 0.15 0.40 1.29 0.49 -1.33 0.00 0.00 177.39 178.39 2wol n PHE 352 N -4.31 2.83 -1.79 -1.77 0.99 -1.26 -4.94 117.46 107.21 2wol n PHE 352 Ca -0.45 0.18 -0.34 0.00 -0.00 0.00 0.00 57.45 56.83 2wol n PHE 352 Cb 0.80 -2.63 0.05 0.00 -1.00 0.00 0.00 39.48 36.70 2wol n PHE 352 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 2wol s PRO 353 N 0.05 2.71 0.00 -1.08 0.02 -1.26 -4.89 135.00 130.55 2wol s PRO 353 Ca 0.68 1.66 0.07 0.00 0.02 0.00 0.00 61.00 63.43 2wol s PRO 353 Cb -0.50 -1.91 0.35 0.00 0.02 0.00 0.00 34.50 32.46 2wol s PRO 353 CO 0.43 -1.37 1.11 -0.35 -0.33 0.00 0.00 177.00 176.49 2wol n PRO 354 N -2.13 0.08 0.24 5.54 -0.04 -1.26 -2.13 135.00 135.30 2wol n PRO 354 Ca 0.12 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.96 2wol n PRO 354 Cb 0.51 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.94 2wol n PRO 354 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2wol h THR 355 N 0.00 0.26 -3.12 0.52 1.35 -1.99 -3.45 112.91 106.48 2wol h THR 355 Ca 0.00 -0.92 -0.60 0.00 -0.55 0.00 0.00 66.41 64.34 2wol h THR 355 Cb 0.08 1.74 -0.06 0.00 -1.73 0.00 0.00 68.15 68.18 2wol h THR 355 CO 0.00 0.11 -0.17 -0.76 -0.25 0.00 0.00 175.52 174.45 2wol s LEU 356 N -6.43 4.43 0.36 3.87 1.43 -0.91 -4.99 118.68 116.45 2wol s LEU 356 Ca 0.02 0.95 0.14 0.00 -1.03 0.00 0.00 54.13 54.22 2wol s LEU 356 Cb 0.09 -2.64 1.00 0.00 0.03 0.00 0.00 46.19 44.67 2wol s LEU 356 CO 0.61 0.24 1.74 -0.65 0.23 0.00 0.00 176.35 178.53 2wol h PRO 357 N 5.19 0.47 0.00 1.29 0.11 -1.89 -1.72 132.00 135.44 2wol h PRO 357 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2wol h PRO 357 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2wol h PRO 357 CO 0.65 0.31 0.00 0.00 -0.21 0.00 0.00 178.00 178.75 2wol n ALA 358 N -2.39 2.24 -1.56 -0.75 0.00 -1.26 -4.87 120.51 111.91 2wol n ALA 358 Ca 0.26 -0.11 -0.54 0.00 0.00 0.00 0.00 53.44 53.06 2wol n ALA 358 Cb 0.83 -1.41 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 2wol n ALA 358 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2wol n HIS 359 N -1.36 1.26 -3.90 0.00 -0.00 -0.65 -4.66 115.22 105.91 2wol n HIS 359 Ca 0.10 0.76 -0.09 0.00 -0.00 0.00 0.00 57.72 58.49 2wol n HIS 359 Cb 0.24 -2.26 -0.07 0.00 -0.00 0.00 0.00 29.99 27.89 2wol n HIS 359 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 2wol s GLN 360 N 0.35 0.93 -0.20 1.57 -2.07 -1.26 -5.09 119.66 113.88 2wol s GLN 360 Ca 0.86 -1.04 -0.29 0.00 -1.82 0.00 0.00 55.36 53.08 2wol s GLN 360 Cb -1.05 0.35 -0.02 0.00 -1.09 0.00 0.00 33.01 31.20 2wol s GLN 360 CO 0.50 -0.31 1.37 -0.51 -1.32 0.00 0.00 175.29 175.02 2wol s ASP 361 N -2.90 6.75 -0.24 12.60 1.01 -1.26 -4.94 116.67 127.70 2wol s ASP 361 Ca 0.09 1.60 -0.04 0.00 0.71 0.00 0.00 52.55 54.91 2wol s ASP 361 Cb 0.05 -2.54 0.12 0.00 1.01 0.00 0.00 42.92 41.56 2wol s ASP 361 CO -0.08 -0.95 0.42 -0.22 0.21 0.00 0.00 175.17 174.56 2wol s LEU 362 N 4.07 -0.74 -0.44 1.23 2.96 -1.26 -5.08 118.68 119.42 2wol s LEU 362 Ca 0.60 0.61 0.05 0.00 -0.22 0.00 0.00 54.13 55.17 2wol s LEU 362 Cb -0.22 1.35 0.18 0.00 0.50 0.00 0.00 46.19 48.00 2wol s LEU 362 CO 0.21 -0.27 0.44 -0.67 -1.32 0.00 0.00 176.35 174.74 2wol n ASP 363 N 5.38 -1.20 0.18 3.68 2.03 -1.26 -3.87 116.55 121.48 2wol n ASP 363 Ca -0.05 -2.51 0.04 0.00 0.52 0.00 0.00 54.79 52.78 2wol n ASP 363 Cb 0.50 0.01 0.31 0.00 -0.72 0.00 0.00 41.12 41.21 2wol n ASP 363 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2wol h LEU 364 N 5.45 0.00 -6.30 -2.67 3.38 -1.95 -3.36 115.31 109.86 2wol h LEU 364 Ca 0.21 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.59 2wol h LEU 364 Cb 0.96 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.30 2wol h LEU 364 CO 0.29 0.43 -0.73 -1.22 0.09 0.00 0.00 178.44 177.30 2wol n TYR 365 N -3.66 2.43 -1.86 1.13 4.02 -1.26 -5.11 117.16 112.86 2wol n TYR 365 Ca -0.01 -4.00 -0.38 0.00 -0.01 0.00 0.00 57.90 53.51 2wol n TYR 365 Cb 0.52 -0.47 0.04 0.00 -0.02 0.00 0.00 39.34 39.40 2wol n TYR 365 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 2wol s PRO 366 N -1.89 3.10 -0.41 -0.72 0.02 -1.26 -4.60 135.00 129.24 2wol s PRO 366 Ca 0.36 2.11 0.05 0.00 0.02 0.00 0.00 61.00 63.54 2wol s PRO 366 Cb 0.12 -2.17 0.59 0.00 0.02 0.00 0.00 34.50 33.05 2wol s PRO 366 CO -0.07 -1.18 1.75 0.25 -0.33 0.00 0.00 177.00 177.42 2wol n THR 367 N -1.17 3.00 0.00 0.99 -2.24 -1.26 -4.41 114.28 109.19 2wol n THR 367 Ca 0.11 -2.38 0.00 0.00 -2.27 0.00 0.00 64.05 59.51 2wol n THR 367 Cb 0.46 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 2wol n THR 367 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wol n GLY 368 N -1.11 -0.87 0.29 3.38 0.00 -1.26 -0.40 105.19 105.22 2wol n GLY 368 Ca 0.51 -1.68 0.17 0.00 0.00 0.00 0.00 46.02 45.02 2wol n GLY 368 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wol h PRO 369 N 0.00 0.00 -0.23 1.61 0.13 -1.97 -2.19 132.00 129.35 2wol h PRO 369 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2wol h PRO 369 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2wol h PRO 369 CO 0.00 0.06 0.00 -0.40 -0.23 0.00 0.00 178.00 177.43 2wol n ASP 370 N -3.32 2.86 -1.43 1.44 5.75 -1.26 -4.98 116.55 115.60 2wol n ASP 370 Ca -0.01 -1.84 -0.17 0.00 -0.01 0.00 0.00 54.79 52.76 2wol n ASP 370 Cb 0.22 -0.15 -0.06 0.00 -1.03 0.00 0.00 41.12 40.10 2wol n ASP 370 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2wol n LEU 371 N 1.03 -1.35 -0.88 -2.12 4.77 -0.82 -4.86 117.00 112.75 2wol n LEU 371 Ca 0.13 0.35 0.11 0.00 -0.03 0.00 0.00 56.01 56.57 2wol n LEU 371 Cb 0.47 -2.47 0.11 0.00 -2.33 0.00 0.00 43.42 39.20 2wol n LEU 371 CO 0.11 -0.78 0.60 0.54 -1.33 0.00 0.00 177.39 176.53 2wol n ARG 372 N -2.53 2.02 0.00 3.23 1.74 -1.06 -1.94 116.66 118.13 2wol n ARG 372 Ca -0.18 -1.84 0.00 0.00 -0.77 0.00 0.00 57.85 55.06 2wol n ARG 372 Cb 0.58 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 2wol n ARG 372 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wol n GLY 373 N 1.22 3.92 3.30 -0.13 0.00 0.47 -3.87 105.19 110.09 2wol n GLY 373 Ca 0.13 -1.35 -0.46 0.00 0.00 0.00 0.00 46.02 44.34 2wol n GLY 373 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wol s ASP 374 N 0.00 6.47 0.26 1.61 -1.08 -0.07 -4.46 116.67 119.40 2wol s ASP 374 Ca 0.00 -2.48 0.12 0.00 -0.52 0.00 0.00 52.55 49.67 2wol s ASP 374 Cb 0.00 -2.17 0.28 0.00 -1.46 0.00 0.00 42.92 39.57 2wol s ASP 374 CO 0.00 -0.62 1.55 -0.07 0.52 0.00 0.00 175.17 176.55 2wol h LEU 375 N 7.98 0.00 -0.25 -1.34 3.38 -1.94 -1.65 115.31 121.49 2wol h LEU 375 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2wol h LEU 375 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2wol h LEU 375 CO 0.81 0.63 0.13 0.44 0.09 0.00 0.00 178.44 180.55 2wol h ASP 376 N 0.00 0.31 -0.58 -0.43 3.32 -1.96 -0.71 116.42 116.37 2wol h ASP 376 Ca -0.01 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 2wol h ASP 376 Cb 1.22 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 2wol h ASP 376 CO 0.08 0.31 0.13 0.00 -1.72 0.00 0.00 179.24 178.04 2wol h ALA 377 N 1.01 0.77 -0.56 3.45 0.00 -1.91 -2.01 119.26 120.00 2wol h ALA 377 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2wol h ALA 377 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2wol h ALA 377 CO -0.01 0.49 0.36 0.00 0.00 0.00 0.00 179.25 180.09 2wol h ALA 378 N 1.02 0.72 -0.41 0.00 0.00 -1.18 -1.47 119.26 117.93 2wol h ALA 378 Ca 0.18 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2wol h ALA 378 Cb 0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2wol h ALA 378 CO 0.01 0.17 -0.07 0.00 0.00 0.00 0.00 179.25 179.36 2wol h ARG 379 N 0.76 0.71 -0.69 0.00 3.08 -0.97 -0.53 114.38 116.75 2wol h ARG 379 Ca 0.20 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2wol h ARG 379 Cb -0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 2wol h ARG 379 CO -0.04 0.77 0.15 0.00 -1.07 0.00 0.00 179.97 179.78 2wol h ALA 380 N 1.27 0.91 -0.49 0.04 0.00 -1.07 -1.20 119.26 118.72 2wol h ALA 380 Ca 0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2wol h ALA 380 Cb 0.51 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2wol h ALA 380 CO 0.03 0.65 0.16 0.93 0.00 0.00 0.00 179.25 181.02 2wol h GLU 381 N 1.05 0.76 -0.65 0.00 4.39 -0.85 -1.43 114.58 117.84 2wol h GLU 381 Ca 0.21 -0.16 0.05 0.00 0.34 0.00 0.00 59.36 59.80 2wol h GLU 381 Cb 0.40 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.89 2wol h GLU 381 CO 0.01 0.71 0.37 -0.07 -1.16 0.00 0.00 179.01 178.87 2wol h LEU 382 N 0.65 0.57 -0.84 1.33 3.38 -0.87 -1.33 115.31 118.20 2wol h LEU 382 Ca 0.16 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.18 2wol h LEU 382 Cb 0.26 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 2wol h LEU 382 CO -0.01 0.38 0.54 0.00 0.09 0.00 0.00 178.44 179.45 2wol h ALA 383 N 1.32 1.10 0.00 1.53 0.00 -0.99 -0.69 119.26 121.53 2wol h ALA 383 Ca 0.28 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2wol h ALA 383 Cb 0.13 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2wol h ALA 383 CO -0.15 0.39 -0.09 0.00 0.00 0.00 0.00 179.25 179.39 2wol h ALA 384 N 1.34 1.77 -0.00 0.00 0.00 -0.35 -1.63 119.26 120.39 2wol h ALA 384 Ca 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2wol h ALA 384 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wol h ALA 384 CO -0.11 0.12 -0.04 0.00 0.00 0.00 0.00 179.25 179.21 2wol n ALA 385 N -2.49 2.57 -1.14 0.00 0.00 -0.59 -4.89 120.51 113.96 2wol n ALA 385 Ca -0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 53.44 53.20 2wol n ALA 385 Cb 0.17 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.16 2wol n ALA 385 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wol n GLY 386 N 1.32 0.72 2.53 0.00 0.00 -0.61 -4.96 105.19 104.19 2wol n GLY 386 Ca 0.13 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 2wol n GLY 386 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wol n LEU 387 N -0.51 2.54 0.28 0.99 4.77 -0.34 -4.97 117.00 119.76 2wol n LEU 387 Ca -0.05 -5.20 0.12 0.00 -0.03 0.00 0.00 56.01 50.86 2wol n LEU 387 Cb 0.15 0.13 0.79 0.00 -2.33 0.00 0.00 43.42 42.16 2wol n LEU 387 CO 0.07 2.26 1.09 1.55 -1.33 0.00 0.00 177.39 181.03 2wol h PRO 388 N 2.97 0.00 -0.11 3.23 0.13 -1.83 -1.53 132.00 134.86 2wol h PRO 388 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2wol h PRO 388 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2wol h PRO 388 CO 0.65 0.01 0.00 -0.25 -0.23 0.00 0.00 178.00 178.18 2wol n ASP 389 N -4.11 2.52 0.00 1.44 8.00 -1.26 -4.67 116.55 118.47 2wol n ASP 389 Ca -0.03 -1.83 0.00 0.00 0.71 0.00 0.00 54.79 53.64 2wol n ASP 389 Cb 0.10 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 2wol n ASP 389 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wol n GLY 390 N 1.31 -1.80 3.79 0.44 0.00 -0.58 -4.45 105.19 103.90 2wol n GLY 390 Ca 0.17 -2.03 -0.02 0.00 0.00 0.00 0.00 46.02 44.14 2wol n GLY 390 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wol s PHE 391 N 0.00 -0.04 -0.04 1.61 -0.12 -0.98 -4.87 117.98 113.54 2wol s PHE 391 Ca 0.00 -0.26 -0.01 0.00 -0.05 0.00 0.00 56.93 56.62 2wol s PHE 391 Cb 0.00 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 43.00 2wol s PHE 391 CO 0.00 -0.74 0.02 1.03 -0.05 0.00 0.00 175.22 175.49 2wol s ARG 392 N -2.69 2.95 0.32 1.99 0.52 -1.26 -0.75 118.95 120.03 2wol s ARG 392 Ca 0.17 -0.48 -0.12 0.00 -0.52 0.00 0.00 55.73 54.77 2wol s ARG 392 Cb -0.01 -2.78 0.02 0.00 0.52 0.00 0.00 34.95 32.71 2wol s ARG 392 CO 0.02 0.67 0.62 0.00 0.02 0.00 0.00 175.30 176.63 2wol s ALA 393 N -1.03 -0.30 -0.06 2.13 0.00 -0.74 -4.91 121.76 116.86 2wol s ALA 393 Ca 0.18 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.26 2wol s ALA 393 Cb -0.12 0.92 -0.00 0.00 0.00 0.00 0.00 23.12 23.93 2wol s ALA 393 CO 0.08 -0.91 -0.18 0.08 0.00 0.00 0.00 175.76 174.82 2wol s VAL 394 N -3.17 1.56 -0.18 0.00 1.01 -1.26 -1.80 120.40 116.55 2wol s VAL 394 Ca 0.20 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 2wol s VAL 394 Cb -0.03 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2wol s VAL 394 CO 0.12 0.45 0.04 -0.51 0.00 0.00 0.00 175.10 175.20 2wol s ILE 395 N 0.20 4.51 0.05 2.22 2.07 -0.49 -2.27 121.20 127.50 2wol s ILE 395 Ca -0.09 -0.13 -0.16 0.00 -1.41 0.00 0.00 60.65 58.86 2wol s ILE 395 Cb -0.14 -3.03 -0.06 0.00 0.13 0.00 0.00 42.46 39.36 2wol s ILE 395 CO 0.04 0.45 0.49 -0.83 -1.91 0.00 0.00 174.94 173.18 2wol s GLY 396 N 0.52 2.54 0.35 1.50 0.00 0.46 -0.92 107.32 111.77 2wol s GLY 396 Ca 0.02 -0.12 -0.16 0.00 0.00 0.00 0.00 44.72 44.46 2wol s GLY 396 CO 0.01 0.25 0.73 -1.08 0.00 0.00 0.00 173.10 173.01 2wol s THR 397 N -1.16 0.00 0.24 0.90 -1.32 -0.60 -1.52 115.64 112.18 2wol s THR 397 Ca 0.28 -1.08 0.05 0.00 -1.21 0.00 0.00 61.69 59.73 2wol s THR 397 Cb -0.17 -2.59 -0.03 0.00 -1.51 0.00 0.00 72.50 68.19 2wol s THR 397 CO 0.17 0.00 0.34 -1.10 -2.21 0.00 0.00 174.62 171.82 2wol s GLN 398 N -2.89 3.39 0.55 7.08 -0.21 -1.26 -0.49 119.66 125.83 2wol s GLN 398 Ca 0.16 -0.78 -0.21 0.00 0.02 0.00 0.00 55.36 54.55 2wol s GLN 398 Cb -0.05 -2.86 -0.05 0.00 1.00 0.00 0.00 33.01 31.06 2wol s GLN 398 CO 0.11 0.43 1.28 1.03 -2.12 0.00 0.00 175.29 176.03 2wol s ARG 399 N -3.94 3.14 0.00 2.91 0.52 -1.26 -2.00 118.95 118.32 2wol s ARG 399 Ca 0.34 2.05 0.00 0.00 -0.52 0.00 0.00 55.73 57.60 2wol s ARG 399 Cb -0.09 -2.16 0.00 0.00 0.52 0.00 0.00 34.95 33.22 2wol s ARG 399 CO 0.29 -1.13 0.00 0.41 0.02 0.00 0.00 175.30 174.88 2wol n GLY 400 N 0.66 0.85 0.27 -3.53 0.00 -1.26 -4.52 105.19 97.65 2wol n GLY 400 Ca 0.11 -1.58 -0.00 0.00 0.00 0.00 0.00 46.02 44.54 2wol n GLY 400 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wol h LYS 401 N 0.00 0.51 -0.45 1.61 1.63 -1.94 -1.82 116.57 116.12 2wol h LYS 401 Ca 0.00 -0.12 -0.05 0.00 -0.85 0.00 0.00 60.65 59.63 2wol h LYS 401 Cb 0.00 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 2wol h LYS 401 CO 0.00 0.56 0.06 0.74 -3.45 0.00 0.00 179.45 177.36 2wol h PHE 402 N 0.49 0.72 -0.45 1.91 -1.00 -1.79 -2.46 116.94 114.35 2wol h PHE 402 Ca 0.10 -0.07 -0.09 0.00 2.81 0.00 0.00 57.97 60.72 2wol h PHE 402 Cb 0.36 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 2wol h PHE 402 CO 0.01 0.64 -0.07 -0.09 -1.61 0.00 0.00 178.31 177.20 2wol h ARG 403 N 0.66 0.84 -0.78 1.51 9.65 -0.71 -0.63 114.38 124.93 2wol h ARG 403 Ca 0.14 -0.30 0.04 0.00 -1.10 0.00 0.00 59.98 58.76 2wol h ARG 403 Cb 0.33 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.80 2wol h ARG 403 CO 0.01 0.93 0.49 -0.07 2.80 0.00 0.00 179.97 184.13 2wol h LEU 404 N 0.67 0.80 -0.38 3.80 3.38 -1.28 0.06 115.31 122.36 2wol h LEU 404 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2wol h LEU 404 Cb 0.60 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2wol h LEU 404 CO 0.04 0.54 0.14 0.58 0.09 0.00 0.00 178.44 179.83 2wol h VAL 405 N 0.94 1.20 -0.60 1.22 2.07 -1.27 -2.14 116.25 117.68 2wol h VAL 405 Ca 0.32 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 67.29 2wol h VAL 405 Cb 0.05 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 2wol h VAL 405 CO -0.13 0.22 0.29 0.00 0.02 0.00 0.00 177.57 177.97 2wol h ALA 406 N 0.99 0.79 -0.89 1.67 0.00 -0.53 -0.84 119.26 120.44 2wol h ALA 406 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wol h ALA 406 Cb 0.21 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2wol h ALA 406 CO -0.01 -0.08 0.57 -0.44 0.00 0.00 0.00 179.25 179.29 2wol h ASP 407 N 0.53 1.04 0.24 0.00 3.32 -0.83 -0.48 116.42 120.24 2wol h ASP 407 Ca 0.28 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 2wol h ASP 407 Cb 0.24 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2wol h ASP 407 CO -0.22 0.77 -0.33 0.00 -1.72 0.00 0.00 179.24 177.73 2wol h ALA 408 N 1.42 1.31 -0.22 3.45 0.00 -0.66 -0.73 119.26 123.82 2wol h ALA 408 Ca 0.32 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2wol h ALA 408 Cb -0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2wol h ALA 408 CO -0.07 0.49 -0.11 0.28 0.00 0.00 0.00 179.25 179.85 2wol h VAL 409 N 0.13 1.30 -0.21 0.00 2.07 -0.19 -1.01 116.25 118.34 2wol h VAL 409 Ca 0.02 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.41 2wol h VAL 409 Cb 0.66 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 2wol h VAL 409 CO 0.05 0.36 -0.11 0.58 0.02 0.00 0.00 177.57 178.47 2wol h VAL 410 N 0.18 0.65 -0.54 2.57 2.07 -0.84 -0.99 116.25 119.35 2wol h VAL 410 Ca 0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 2wol h VAL 410 Cb 0.60 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2wol h VAL 410 CO 0.03 0.00 0.27 -0.08 0.02 0.00 0.00 177.57 177.81 2wol h GLU 411 N -0.09 0.78 0.07 1.57 4.81 -1.12 -1.59 114.58 119.01 2wol h GLU 411 Ca 0.12 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2wol h GLU 411 Cb 0.26 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2wol h GLU 411 CO -0.27 0.64 -0.07 0.77 -0.73 0.00 0.00 179.01 179.34 2wol h SER 412 N 0.73 -0.20 1.35 1.04 0.02 -0.88 -3.21 113.55 112.41 2wol h SER 412 Ca 0.19 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.08 2wol h SER 412 Cb 0.11 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2wol h SER 412 CO -0.02 -0.12 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.09 2wol h LEU 413 N -0.16 0.00 -2.30 5.07 3.38 -1.09 -3.05 115.31 117.16 2wol h LEU 413 Ca 0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2wol h LEU 413 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2wol h LEU 413 CO -0.03 0.39 0.07 0.00 0.09 0.00 0.00 178.44 178.97 2wol h ALA 414 N 1.61 1.73 0.00 1.53 0.00 -1.12 -2.09 119.26 120.91 2wol h ALA 414 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wol h ALA 414 Cb 1.17 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2wol h ALA 414 CO 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 179.25 179.18 2wol h ARG 415 N 0.00 0.00 -0.03 0.00 3.08 -1.64 -2.24 114.38 113.55 2wol h ARG 415 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2wol h ARG 415 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2wol h ARG 415 CO -0.00 0.02 -0.02 1.33 -1.07 0.00 0.00 179.97 180.23 2wol n VAL 416 N -3.20 1.94 -0.96 2.04 0.24 -0.84 -4.98 118.33 112.57 2wol n VAL 416 Ca -0.02 -2.27 0.00 0.00 -2.04 0.00 0.00 64.34 60.01 2wol n VAL 416 Cb 0.16 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 2wol n VAL 416 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wol n GLY 417 N -1.34 0.49 3.53 7.63 0.00 -0.84 -4.15 105.19 110.51 2wol n GLY 417 Ca 0.17 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2wol n GLY 417 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wol s ILE 418 N -2.00 4.54 -0.44 -0.61 1.01 -0.87 -2.33 121.20 120.50 2wol s ILE 418 Ca 0.00 0.31 -0.16 0.00 0.00 0.00 0.00 60.65 60.80 2wol s ILE 418 Cb 0.00 -4.42 0.04 0.00 0.01 0.00 0.00 42.46 38.09 2wol s ILE 418 CO 0.00 -0.90 0.38 -1.61 0.00 0.00 0.00 174.94 172.80 2wol s GLU 419 N 3.55 3.00 -0.04 2.79 2.02 0.07 -2.82 118.70 127.26 2wol s GLU 419 Ca 0.29 -1.11 -0.02 0.00 0.02 0.00 0.00 54.97 54.16 2wol s GLU 419 Cb -0.13 -4.04 -0.04 0.00 0.10 0.00 0.00 34.13 30.02 2wol s GLU 419 CO 0.21 -0.90 0.06 -0.51 0.02 0.00 0.00 175.26 174.14 2wol s LEU 420 N 1.79 3.87 0.27 1.80 1.43 -1.26 -1.79 118.68 124.79 2wol s LEU 420 Ca 0.06 0.19 0.09 0.00 -1.03 0.00 0.00 54.13 53.44 2wol s LEU 420 Cb -0.21 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 2wol s LEU 420 CO 0.09 0.32 0.01 0.42 0.23 0.00 0.00 176.35 177.42 2wol s THR 421 N -1.08 3.45 -0.16 5.49 -4.23 -0.75 -4.97 115.64 113.40 2wol s THR 421 Ca 0.19 -1.89 -0.04 0.00 -1.18 0.00 0.00 61.69 58.77 2wol s THR 421 Cb -0.12 -2.86 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 2wol s THR 421 CO 0.09 -0.37 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.07 2wol s VAL 422 N -2.33 3.80 -0.29 2.29 1.01 -1.26 -1.39 120.40 122.23 2wol s VAL 422 Ca 0.32 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 2wol s VAL 422 Cb -0.06 -2.67 0.03 0.00 0.00 0.00 0.00 36.38 33.67 2wol s VAL 422 CO 0.20 0.49 0.03 -0.75 0.00 0.00 0.00 175.10 175.07 2wol s LYS 423 N 0.48 2.81 0.07 2.72 2.47 -0.10 -4.96 119.74 123.23 2wol s LYS 423 Ca -0.04 -1.03 -0.23 0.00 -1.56 0.00 0.00 55.97 53.12 2wol s LYS 423 Cb -0.14 -3.25 -0.06 0.00 -1.46 0.00 0.00 37.83 32.91 2wol s LYS 423 CO 0.03 -0.51 0.68 -1.21 0.16 0.00 0.00 175.35 174.50 2wol s GLU 424 N 1.39 4.40 0.18 4.03 2.02 -1.26 -1.56 118.70 127.90 2wol s GLU 424 Ca -0.00 0.93 0.10 0.00 0.02 0.00 0.00 54.97 56.02 2wol s GLU 424 Cb -0.18 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.71 2wol s GLU 424 CO -0.00 0.47 -0.17 -0.51 0.02 0.00 0.00 175.26 175.06 2wol s LEU 425 N -0.62 2.69 0.15 1.80 1.43 0.35 -4.93 118.68 119.54 2wol s LEU 425 Ca 0.34 -0.72 -0.34 0.00 -1.03 0.00 0.00 54.13 52.38 2wol s LEU 425 Cb -0.20 -1.41 -0.15 0.00 0.03 0.00 0.00 46.19 44.45 2wol s LEU 425 CO 0.21 0.12 1.37 -0.67 0.23 0.00 0.00 176.35 177.61 2wol n ASP 426 N 0.21 2.11 0.01 2.29 -0.08 -1.26 -4.37 116.55 115.46 2wol n ASP 426 Ca -0.12 1.12 -0.12 0.00 -1.51 0.00 0.00 54.79 54.16 2wol n ASP 426 Cb 0.55 -1.29 -0.08 0.00 2.34 0.00 0.00 41.12 42.64 2wol n ASP 426 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2wol h VAL 427 N 3.20 1.19 -0.30 5.18 2.07 -1.95 -2.35 116.25 123.29 2wol h VAL 427 Ca -0.46 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 2wol h VAL 427 Cb 1.31 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 2wol h VAL 427 CO 0.78 0.15 0.13 0.00 0.02 0.00 0.00 177.57 178.65 2wol h ALA 428 N 0.77 1.67 -0.25 1.67 0.00 -2.03 -2.76 119.26 118.33 2wol h ALA 428 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wol h ALA 428 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wol h ALA 428 CO 0.00 0.27 0.00 0.25 0.00 0.00 0.00 179.25 179.77 2wol n THR 429 N -4.42 2.06 -0.23 0.00 -2.24 -1.23 -4.75 114.28 103.47 2wol n THR 429 Ca 0.01 -1.77 0.06 0.00 -2.27 0.00 0.00 64.05 60.08 2wol n THR 429 Cb 0.12 -0.13 0.31 0.00 -2.10 0.00 0.00 70.33 68.53 2wol n THR 429 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2wol h TYR 430 N 1.67 0.87 0.00 4.78 3.20 -1.11 0.38 116.97 126.76 2wol h TYR 430 Ca 0.00 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.75 2wol h TYR 430 Cb 1.30 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 2wol h TYR 430 CO 0.41 0.45 -1.57 1.19 -1.64 0.00 0.00 178.16 177.00 2wol n PHE 431 N -4.49 0.70 0.00 -3.82 3.01 -1.26 -0.20 117.46 111.40 2wol n PHE 431 Ca 0.12 0.23 -0.22 0.00 1.01 0.00 0.00 57.45 58.60 2wol n PHE 431 Cb 0.24 -0.97 -0.14 0.00 -0.01 0.00 0.00 39.48 38.61 2wol n PHE 431 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2wol h SER 432 N 0.00 0.40 0.00 4.37 4.64 -1.78 -2.59 113.55 118.59 2wol h SER 432 Ca -0.16 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.24 2wol h SER 432 Cb 1.49 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2wol h SER 432 CO 0.03 1.82 0.00 0.18 -0.87 0.00 0.00 176.83 177.99 2wol n LEU 433 N -3.59 0.20 0.00 5.97 4.77 0.12 -3.42 117.00 121.05 2wol n LEU 433 Ca -0.31 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 2wol n LEU 433 Cb 1.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 2wol n LEU 433 CO 0.41 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2wol n GLY 434 N 0.37 0.37 0.30 -0.72 0.00 -0.22 -4.53 105.19 100.76 2wol n GLY 434 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2wol n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wol h ALA 435 N -2.00 2.04 -0.04 4.61 0.00 -0.87 -2.24 119.26 120.76 2wol h ALA 435 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wol h ALA 435 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wol h ALA 435 CO 0.00 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.58 2wol n GLY 436 N -1.54 -0.80 3.08 0.00 0.00 -0.91 -4.65 105.19 100.37 2wol n GLY 436 Ca 0.02 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 2wol n GLY 436 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wol s HIS 437 N -1.95 3.12 0.45 1.61 5.04 -0.84 -0.48 115.29 122.23 2wol s HIS 437 Ca 0.14 -2.13 0.23 0.00 -1.54 0.00 0.00 55.06 51.76 2wol s HIS 437 Cb 0.07 -1.92 1.23 0.00 0.04 0.00 0.00 32.58 32.00 2wol s HIS 437 CO 0.11 -0.86 1.81 -1.35 -2.34 0.00 0.00 174.74 172.11 2wol h PRO 438 N 7.82 0.26 -0.24 2.88 0.11 -1.80 -0.48 132.00 140.55 2wol h PRO 438 Ca -0.26 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.66 2wol h PRO 438 Cb 1.07 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 2wol h PRO 438 CO 0.51 0.17 -0.53 1.49 -0.21 0.00 0.00 178.00 179.44 2wol h GLU 439 N 0.27 0.70 -0.49 1.05 4.57 -1.94 -2.50 114.58 116.24 2wol h GLU 439 Ca 0.54 -0.43 -0.08 0.00 -1.18 0.00 0.00 59.36 58.21 2wol h GLU 439 Cb 1.61 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 30.23 2wol h GLU 439 CO -0.18 1.05 -0.03 1.15 -1.18 0.00 0.00 179.01 179.82 2wol h THR 440 N 0.54 1.27 -0.75 0.32 2.02 -1.38 0.14 112.91 115.06 2wol h THR 440 Ca 0.02 -1.12 0.05 0.00 0.77 0.00 0.00 66.41 66.13 2wol h THR 440 Cb 1.09 1.01 -0.05 0.00 -1.74 0.00 0.00 68.15 68.46 2wol h THR 440 CO 0.11 0.39 0.46 0.58 0.37 0.00 0.00 175.52 177.43 2wol h VAL 441 N 0.74 1.05 -0.20 3.16 2.07 -1.32 -2.13 116.25 119.61 2wol h VAL 441 Ca 0.14 -0.30 -0.15 0.00 0.82 0.00 0.00 66.70 67.21 2wol h VAL 441 Cb 0.55 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2wol h VAL 441 CO 0.03 0.16 -0.45 0.03 0.02 0.00 0.00 177.57 177.36 2wol h ARG 442 N 0.87 0.67 -0.72 1.57 3.08 -1.20 -0.87 114.38 117.77 2wol h ARG 442 Ca 0.32 -0.44 0.10 0.00 0.07 0.00 0.00 59.98 60.03 2wol h ARG 442 Cb 0.10 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.14 2wol h ARG 442 CO -0.15 1.06 0.35 1.49 -1.07 0.00 0.00 179.97 181.66 2wol h GLU 443 N 0.36 0.56 -0.02 0.04 4.81 -0.38 -2.58 114.58 117.36 2wol h GLU 443 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2wol h GLU 443 Cb 1.06 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2wol h GLU 443 CO 0.10 0.37 -0.14 0.72 -0.73 0.00 0.00 179.01 179.33 2wol n HIS 444 N -4.89 0.00 -3.37 0.92 8.25 -0.83 -4.99 115.22 110.31 2wol n HIS 444 Ca 0.12 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.41 2wol n HIS 444 Cb 0.31 -0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.49 2wol n HIS 444 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wol n GLY 445 N 1.37 -0.70 3.45 -1.41 0.00 -0.55 -4.91 105.19 102.43 2wol n GLY 445 Ca 0.13 0.31 -0.44 0.00 0.00 0.00 0.00 46.02 46.01 2wol n GLY 445 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wol s LEU 446 N -5.98 5.15 0.39 0.99 1.43 -0.44 -4.32 118.68 115.91 2wol s LEU 446 Ca 0.20 -2.39 0.16 0.00 -1.03 0.00 0.00 54.13 51.08 2wol s LEU 446 Cb -0.03 -2.39 0.82 0.00 0.03 0.00 0.00 46.19 44.62 2wol s LEU 446 CO 0.74 -0.93 1.84 1.23 0.23 0.00 0.00 176.35 179.45 2wol h GLY 447 N 10.02 0.00 -4.35 -3.19 0.00 -1.78 -3.43 103.07 100.35 2wol h GLY 447 Ca 0.20 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.01 2wol h GLY 447 CO 1.13 0.00 -0.82 1.08 0.00 0.00 0.00 176.54 177.93 2wol s LEU 448 N -7.74 2.26 -0.02 3.11 1.02 -1.13 -1.57 118.68 114.61 2wol s LEU 448 Ca -0.02 -0.62 0.00 0.00 0.02 0.00 0.00 54.13 53.51 2wol s LEU 448 Cb 0.13 -0.81 0.02 0.00 0.02 0.00 0.00 46.19 45.55 2wol s LEU 448 CO 0.69 0.05 0.01 -0.76 0.02 0.00 0.00 176.35 176.36 2wol s LEU 449 N -1.67 1.40 -0.15 1.79 1.43 -0.04 -0.40 118.68 121.04 2wol s LEU 449 Ca 0.05 -0.00 -0.16 0.00 -1.03 0.00 0.00 54.13 52.99 2wol s LEU 449 Cb -0.10 -0.12 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 2wol s LEU 449 CO 0.03 -0.07 0.38 -0.69 0.23 0.00 0.00 176.35 176.22 2wol s VAL 450 N 0.71 5.25 0.30 -1.59 1.01 -0.58 -0.76 120.40 124.75 2wol s VAL 450 Ca -0.06 0.72 -0.12 0.00 0.00 0.00 0.00 61.98 62.51 2wol s VAL 450 Cb -0.09 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2wol s VAL 450 CO -0.02 0.35 0.58 0.28 0.00 0.00 0.00 175.10 176.29 2wol s THR 451 N 0.64 0.00 0.13 3.92 -1.32 -0.80 -4.77 115.64 113.44 2wol s THR 451 Ca 0.20 -1.31 0.05 0.00 -1.21 0.00 0.00 61.69 59.42 2wol s THR 451 Cb -0.14 -2.42 -0.04 0.00 -1.51 0.00 0.00 72.50 68.39 2wol s THR 451 CO 0.07 0.00 -0.11 1.51 -2.21 0.00 0.00 174.62 173.88 2wol s ASP 452 N -3.07 1.75 -0.13 8.08 -4.77 -1.26 -1.65 116.67 115.62 2wol s ASP 452 Ca 0.21 -0.92 -0.11 0.00 -3.30 0.00 0.00 52.55 48.43 2wol s ASP 452 Cb -0.02 -0.02 0.04 0.00 -1.09 0.00 0.00 42.92 41.83 2wol s ASP 452 CO 0.12 -0.28 0.35 0.86 0.70 0.00 0.00 175.17 176.92 2wol s TRP 453 N -2.88 -0.42 -0.01 2.11 -0.11 -0.17 -4.97 118.94 112.49 2wol s TRP 453 Ca 0.12 0.98 0.04 0.00 1.22 0.00 0.00 56.10 58.46 2wol s TRP 453 Cb -0.00 0.15 -0.01 0.00 -1.50 0.00 0.00 33.47 32.10 2wol s TRP 453 CO 0.01 -0.22 -0.13 0.20 -4.62 0.00 0.00 176.95 172.19 2wol s GLY 454 N 0.55 0.64 0.56 5.86 0.00 -1.26 -0.20 107.32 113.46 2wol s GLY 454 Ca -0.03 -0.56 -0.20 0.00 0.00 0.00 0.00 44.72 43.93 2wol s GLY 454 CO -0.03 -0.46 1.26 0.00 0.00 0.00 0.00 173.10 173.87 2wol s ALA 455 N -0.30 2.68 -0.83 3.20 0.00 -1.26 -4.93 121.76 120.33 2wol s ALA 455 Ca 0.05 1.12 0.27 0.00 0.00 0.00 0.00 51.96 53.40 2wol s ALA 455 Cb -0.05 -3.49 0.94 0.00 0.00 0.00 0.00 23.12 20.52 2wol s ALA 455 CO -0.00 -1.19 1.81 -0.25 0.00 0.00 0.00 175.76 176.12 2wol n ASP 456 N -1.26 0.53 -3.69 0.00 8.00 -1.26 -4.79 116.55 114.07 2wol n ASP 456 Ca 0.12 0.53 -0.14 0.00 0.71 0.00 0.00 54.79 56.00 2wol n ASP 456 Cb 0.48 -0.66 -0.09 0.00 -0.02 0.00 0.00 41.12 40.84 2wol n ASP 456 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2wol s PHE 457 N -3.07 -0.45 -1.49 1.24 -0.12 -1.26 -5.08 117.98 107.75 2wol s PHE 457 Ca 0.12 0.97 -0.12 0.00 -0.05 0.00 0.00 56.93 57.85 2wol s PHE 457 Cb 0.15 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 2wol s PHE 457 CO 0.58 -0.35 2.61 -0.35 -0.05 0.00 0.00 175.22 177.65 2wol n PRO 458 N 2.05 3.21 -4.27 1.99 -0.04 -1.26 -4.25 135.00 132.43 2wol n PRO 458 Ca -0.17 -2.28 -0.15 0.00 -0.04 0.00 0.00 63.50 60.86 2wol n PRO 458 Cb 0.57 -2.96 -0.10 0.00 -0.04 0.00 0.00 33.50 30.96 2wol n PRO 458 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2wol s THR 459 N 2.73 0.66 0.25 0.52 -4.23 -1.26 -4.95 115.64 109.36 2wol s THR 459 Ca 0.59 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.05 2wol s THR 459 Cb 0.16 -2.31 0.25 0.00 1.34 0.00 0.00 72.50 71.95 2wol s THR 459 CO -0.06 -0.31 1.92 -0.33 -0.54 0.00 0.00 174.62 175.30 2wol h GLU 460 N 2.58 1.32 0.17 3.99 3.07 -1.99 0.16 114.58 123.87 2wol h GLU 460 Ca -0.37 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.39 2wol h GLU 460 Cb 1.22 -0.29 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 2wol h GLU 460 CO 0.62 0.88 -0.08 -0.92 -1.40 0.00 0.00 179.01 178.11 2wol h TYR 461 N 1.35 -0.21 -1.00 4.33 3.20 -1.97 0.91 116.97 123.58 2wol h TYR 461 Ca 0.36 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.32 2wol h TYR 461 Cb -0.14 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.13 2wol h TYR 461 CO 0.00 -0.05 0.64 0.78 -1.64 0.00 0.00 178.16 177.89 2wol h GLY 462 N -0.31 1.59 0.29 1.82 0.00 -1.68 -1.58 103.07 103.19 2wol h GLY 462 Ca -0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 2wol h GLY 462 CO 0.04 0.25 -0.12 -2.75 0.00 0.00 0.00 176.54 173.96 2wol h PHE 463 N 1.09 0.12 0.02 5.60 3.57 -0.81 -3.38 116.94 123.15 2wol h PHE 463 Ca 0.46 -0.07 -0.37 0.00 3.53 0.00 0.00 57.97 61.53 2wol h PHE 463 Cb 0.32 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 2wol h PHE 463 CO -0.00 0.90 -2.29 -0.11 -2.23 0.00 0.00 178.31 174.57 2wol n LEU 464 N -4.60 1.74 -0.19 0.59 7.94 0.30 -4.48 117.00 118.31 2wol n LEU 464 Ca -0.10 0.02 -0.04 0.00 -1.11 0.00 0.00 56.01 54.79 2wol n LEU 464 Cb 0.46 -0.37 0.06 0.00 0.53 0.00 0.00 43.42 44.10 2wol n LEU 464 CO 0.36 0.72 1.05 0.00 -1.11 0.00 0.00 177.39 178.42 2wol h ALA 465 N 0.44 0.72 0.00 1.96 0.00 -1.41 -0.94 119.26 120.03 2wol h ALA 465 Ca -0.51 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2wol h ALA 465 Cb 2.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 2wol h ALA 465 CO -0.01 -0.03 -0.02 -1.35 0.00 0.00 0.00 179.25 177.84 2wol h PRO 466 N 0.57 0.00 0.00 0.00 0.11 -1.80 -0.15 132.00 130.74 2wol h PRO 466 Ca 0.24 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.15 2wol h PRO 466 Cb 0.13 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 2wol h PRO 466 CO -0.16 0.02 -1.17 -0.07 -0.21 0.00 0.00 178.00 176.42 2wol h LEU 467 N 0.00 0.00 0.00 2.35 3.38 -1.35 -1.66 115.31 118.03 2wol h LEU 467 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wol h LEU 467 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2wol h LEU 467 CO 0.00 0.82 -0.07 1.33 0.09 0.00 0.00 178.44 180.61 2wol n VAL 468 N -3.16 0.00 -2.52 1.22 0.24 -0.90 -4.24 118.33 108.98 2wol n VAL 468 Ca -0.06 -0.06 -0.43 0.00 -2.04 0.00 0.00 64.34 61.76 2wol n VAL 468 Cb 0.91 0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 33.90 2wol n VAL 468 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wol s ASP 469 N -0.25 7.08 0.49 -1.34 -1.08 -0.09 -4.59 116.67 116.88 2wol s ASP 469 Ca 0.00 1.68 0.16 0.00 -0.52 0.00 0.00 52.55 53.87 2wol s ASP 469 Cb 0.00 -2.55 1.19 0.00 -1.46 0.00 0.00 42.92 40.10 2wol s ASP 469 CO 0.00 -0.60 2.06 1.23 0.52 0.00 0.00 175.17 178.38 2wol h GLY 470 N 8.62 0.20 1.99 2.66 0.00 -1.85 -0.06 103.07 114.64 2wol h GLY 470 Ca -0.30 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2wol h GLY 470 CO 0.91 0.05 0.00 0.54 0.00 0.00 0.00 176.54 178.04 2wol n ARG 471 N -4.48 0.01 -0.37 4.80 3.00 -1.26 -3.34 116.66 115.02 2wol n ARG 471 Ca 0.04 0.15 0.10 0.00 -0.01 0.00 0.00 57.85 58.12 2wol n ARG 471 Cb 0.27 -1.50 0.29 0.00 0.00 0.00 0.00 32.46 31.51 2wol n ARG 471 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2wol n GLN 472 N -1.50 2.94 -2.28 5.56 1.13 -0.04 -4.93 117.38 118.28 2wol n GLN 472 Ca 0.05 -2.56 -0.43 0.00 -1.94 0.00 0.00 57.00 52.13 2wol n GLN 472 Cb 0.24 -1.56 -0.02 0.00 0.11 0.00 0.00 30.24 29.00 2wol n GLN 472 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2wol s ILE 473 N -1.19 3.98 -0.53 5.09 1.01 -1.21 -4.54 121.20 123.81 2wol s ILE 473 Ca 0.43 1.24 -0.16 0.00 0.00 0.00 0.00 60.65 62.16 2wol s ILE 473 Cb 0.24 -3.80 0.12 0.00 0.01 0.00 0.00 42.46 39.03 2wol s ILE 473 CO 0.27 -0.08 0.48 -0.54 0.00 0.00 0.00 174.94 175.07 2wol s LYS 474 N 3.28 2.98 0.51 2.79 -0.14 -1.26 -4.94 119.74 122.96 2wol s LYS 474 Ca 0.62 -1.65 0.29 0.00 -1.36 0.00 0.00 55.97 53.87 2wol s LYS 474 Cb -0.27 -4.27 1.28 0.00 -1.68 0.00 0.00 37.83 32.89 2wol s LYS 474 CO 0.22 -1.27 1.97 0.00 -0.76 0.00 0.00 175.35 175.50 2wol h ARG 475 N 8.86 0.00 -0.73 1.68 2.47 -1.94 -2.98 114.38 121.75 2wol h ARG 475 Ca -0.30 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 2wol h ARG 475 Cb 1.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 2wol h ARG 475 CO 1.01 0.12 0.00 0.09 0.56 0.00 0.00 179.97 181.75 2wol n ASN 476 N -3.35 4.01 0.00 7.04 3.02 -1.26 -4.53 115.26 120.19 2wol n ASN 476 Ca -0.00 -2.03 0.00 0.00 -0.03 0.00 0.00 54.58 52.51 2wol n ASN 476 Cb 0.32 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 2wol n ASN 476 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wol n GLY 477 N 1.60 2.50 2.22 7.41 0.00 -1.12 -5.00 105.19 112.79 2wol n GLY 477 Ca 0.25 -2.01 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 2wol n GLY 477 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wol n GLY 478 N 0.18 0.79 3.74 -0.02 0.00 -0.77 -4.81 105.19 104.30 2wol n GLY 478 Ca 0.00 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 2wol n GLY 478 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wol s ASN 479 N -2.84 7.40 0.00 1.61 2.47 0.36 -4.84 114.94 119.10 2wol s ASN 479 Ca 0.00 1.98 0.04 0.00 0.42 0.00 0.00 52.86 55.30 2wol s ASN 479 Cb 0.00 -2.60 -0.03 0.00 -1.45 0.00 0.00 41.25 37.17 2wol s ASN 479 CO 0.00 -0.11 0.21 0.79 -3.72 0.00 0.00 177.10 174.26 2wol n TRP 480 N 2.33 0.00 -2.92 0.43 7.02 -1.26 -4.39 117.44 118.66 2wol n TRP 480 Ca 0.02 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 56.06 2wol n TRP 480 Cb 0.47 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.36 2wol n TRP 480 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2wol n ASN 481 N -0.93 5.29 -0.17 -0.99 2.85 -0.62 -4.16 115.26 116.53 2wol n ASN 481 Ca 0.01 -3.02 -0.10 0.00 -0.11 0.00 0.00 54.58 51.36 2wol n ASN 481 Cb 0.06 -1.52 0.00 0.00 1.24 0.00 0.00 39.78 39.56 2wol n ASN 481 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2wol h LEU 482 N 8.88 0.84 0.00 1.20 3.38 -1.86 -0.77 115.31 126.97 2wol h LEU 482 Ca 0.31 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wol h LEU 482 Cb 0.83 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2wol h LEU 482 CO 1.27 0.94 0.00 -2.65 0.09 0.00 0.00 178.44 178.10 2wol n PRO 483 N -4.34 0.04 -3.83 1.13 -0.02 -1.26 -4.81 135.00 121.90 2wol n PRO 483 Ca 0.01 0.26 -0.26 0.00 -2.02 0.00 0.00 63.50 61.48 2wol n PRO 483 Cb 0.31 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.32 2wol n PRO 483 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wol n GLU 484 N -1.46 -5.18 -1.89 -0.52 1.02 -0.30 -4.25 120.64 108.06 2wol n GLU 484 Ca 0.04 0.60 -0.42 0.00 -0.02 0.00 0.00 57.16 57.35 2wol n GLU 484 Cb 0.14 -5.32 -0.03 0.00 -0.02 0.00 0.00 31.44 26.21 2wol n GLU 484 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2wol s LEU 485 N -7.02 4.37 -0.40 -4.62 2.96 -1.26 -4.93 118.68 107.77 2wol s LEU 485 Ca 0.36 2.62 0.09 0.00 -0.22 0.00 0.00 54.13 56.98 2wol s LEU 485 Cb -0.18 -3.58 0.29 0.00 0.50 0.00 0.00 46.19 43.22 2wol s LEU 485 CO 0.83 -0.87 0.63 -0.67 -1.32 0.00 0.00 176.35 174.94 2wol n ASP 486 N 4.61 0.79 -4.57 3.68 2.03 -1.26 -2.90 116.55 118.94 2wol n ASP 486 Ca 0.15 -2.90 -0.42 0.00 0.52 0.00 0.00 54.79 52.14 2wol n ASP 486 Cb 0.39 -0.63 -0.06 0.00 -0.72 0.00 0.00 41.12 40.09 2wol n ASP 486 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2wol s ASP 487 N -1.84 6.43 0.40 1.67 -1.08 -1.26 -4.95 116.67 116.04 2wol s ASP 487 Ca 0.38 0.12 0.15 0.00 -0.52 0.00 0.00 52.55 52.68 2wol s ASP 487 Cb 0.25 -2.34 1.01 0.00 -1.46 0.00 0.00 42.92 40.38 2wol s ASP 487 CO -0.09 -0.65 1.84 -0.65 0.52 0.00 0.00 175.17 176.14 2wol h PRO 488 N 8.53 0.47 -0.34 4.34 0.11 -1.98 -0.37 132.00 142.76 2wol h PRO 488 Ca -0.26 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.65 2wol h PRO 488 Cb 1.11 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 2wol h PRO 488 CO 0.86 0.31 -0.46 0.93 -0.21 0.00 0.00 178.00 179.43 2wol h GLU 489 N 0.48 0.91 -0.08 1.05 5.08 -1.99 0.15 114.58 120.19 2wol h GLU 489 Ca 0.49 -0.52 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2wol h GLU 489 Cb 1.11 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 2wol h GLU 489 CO -0.21 1.17 0.03 0.28 -1.00 0.00 0.00 179.01 179.28 2wol h VAL 490 N 0.72 1.13 -0.66 3.13 2.07 -1.73 -1.72 116.25 119.19 2wol h VAL 490 Ca 0.04 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.22 2wol h VAL 490 Cb 1.06 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 2wol h VAL 490 CO 0.11 0.11 0.39 0.78 0.02 0.00 0.00 177.57 178.98 2wol h ASN 491 N -0.02 0.61 -0.55 0.57 2.35 -1.01 -1.17 115.58 116.36 2wol h ASN 491 Ca 0.03 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2wol h ASN 491 Cb 0.15 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2wol h ASN 491 CO -0.00 0.41 0.22 0.00 -1.65 0.00 0.00 177.43 176.41 2wol h ALA 492 N 1.31 0.72 -0.56 -0.83 0.00 -0.91 -0.51 119.26 118.47 2wol h ALA 492 Ca 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2wol h ALA 492 Cb 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2wol h ALA 492 CO -0.14 0.33 0.33 -0.07 0.00 0.00 0.00 179.25 179.69 2wol h LEU 493 N 0.75 0.69 -0.25 0.00 3.38 -0.95 -0.23 115.31 118.70 2wol h LEU 493 Ca 0.18 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2wol h LEU 493 Cb 0.20 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2wol h LEU 493 CO -0.01 0.56 0.09 0.40 0.09 0.00 0.00 178.44 179.57 2wol h ILE 494 N 0.76 0.94 -0.88 1.22 2.04 -0.97 -1.64 117.51 118.98 2wol h ILE 494 Ca 0.20 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 66.07 2wol h ILE 494 Cb 0.01 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 36.73 2wol h ILE 494 CO -0.04 0.04 0.54 0.44 0.00 0.00 0.00 178.15 179.13 2wol h ASP 495 N 0.21 0.81 -0.62 1.72 3.32 -0.74 -2.36 116.42 118.77 2wol h ASP 495 Ca 0.11 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2wol h ASP 495 Cb 0.07 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 2wol h ASP 495 CO -0.11 0.48 0.33 -0.08 -1.72 0.00 0.00 179.24 178.14 2wol h GLU 496 N 0.93 0.86 -0.88 3.56 4.81 -0.36 -2.54 114.58 120.96 2wol h GLU 496 Ca 0.41 -0.11 0.08 0.00 -0.13 0.00 0.00 59.36 59.61 2wol h GLU 496 Cb 0.30 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 2wol h GLU 496 CO -0.22 0.66 0.57 1.79 -0.73 0.00 0.00 179.01 181.09 2wol h THR 497 N 0.84 1.03 0.00 0.32 1.35 -0.79 -2.31 112.91 113.34 2wol h THR 497 Ca 0.22 -0.33 -0.02 0.00 -0.55 0.00 0.00 66.41 65.73 2wol h THR 497 Cb 0.06 -0.01 -0.00 0.00 -1.73 0.00 0.00 68.15 66.47 2wol h THR 497 CO -0.03 0.17 -0.09 -0.07 -0.25 0.00 0.00 175.52 175.25 2wol h LEU 498 N 0.95 0.00 -1.64 3.87 3.38 -1.19 -2.27 115.31 118.42 2wol h LEU 498 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2wol h LEU 498 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2wol h LEU 498 CO -0.15 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.47 2wol n HIS 499 N -3.43 0.06 -2.70 1.13 1.44 -1.04 -1.83 115.22 108.85 2wol n HIS 499 Ca -0.01 -0.06 -0.43 0.00 -2.01 0.00 0.00 57.72 55.21 2wol n HIS 499 Cb 0.25 -0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.33 2wol n HIS 499 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2wol s THR 500 N -1.03 4.58 0.07 0.61 2.01 -0.85 -4.90 115.64 116.13 2wol s THR 500 Ca 0.16 1.65 -0.13 0.00 0.31 0.00 0.00 61.69 63.68 2wol s THR 500 Cb 0.11 -4.35 -0.26 0.00 0.01 0.00 0.00 72.50 68.01 2wol s THR 500 CO 0.16 -0.40 1.16 0.71 -0.69 0.00 0.00 174.62 175.56 2wol h THR 501 N 5.68 1.30 -2.73 -0.82 1.35 -1.92 -3.44 112.91 112.33 2wol h THR 501 Ca -0.21 -2.40 -0.56 0.00 -0.55 0.00 0.00 66.41 62.68 2wol h THR 501 Cb 1.07 2.55 -0.02 0.00 -1.73 0.00 0.00 68.15 70.01 2wol h THR 501 CO 1.00 0.73 1.14 -0.62 -0.25 0.00 0.00 175.52 177.52 2wol s ASP 502 N -7.33 6.37 0.36 5.36 2.15 -1.26 -4.91 116.67 117.40 2wol s ASP 502 Ca -0.09 1.68 0.05 0.00 0.43 0.00 0.00 52.55 54.62 2wol s ASP 502 Cb 0.06 -2.53 0.70 0.00 -0.30 0.00 0.00 42.92 40.86 2wol s ASP 502 CO 0.92 -1.26 1.97 -0.65 -0.17 0.00 0.00 175.17 175.98 2wol h PRO 503 N 10.80 0.77 -0.15 4.34 0.11 -1.99 -1.01 132.00 144.88 2wol h PRO 503 Ca -0.34 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.69 2wol h PRO 503 Cb 1.16 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 2wol h PRO 503 CO 1.00 0.51 -0.03 0.00 -0.21 0.00 0.00 178.00 179.27 2wol h ALA 504 N 1.60 0.21 -0.50 -0.75 0.00 -1.98 -0.93 119.26 116.91 2wol h ALA 504 Ca 0.30 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2wol h ALA 504 Cb 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2wol h ALA 504 CO -0.09 -0.04 0.16 0.00 0.00 0.00 0.00 179.25 179.28 2wol h ALA 505 N 0.72 1.35 -0.54 0.00 0.00 -1.92 -2.19 119.26 116.67 2wol h ALA 505 Ca 0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2wol h ALA 505 Cb 0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2wol h ALA 505 CO 0.01 0.48 0.14 -0.09 0.00 0.00 0.00 179.25 179.79 2wol h ARG 506 N 0.72 0.86 -0.75 0.00 2.43 -1.04 -2.14 114.38 114.46 2wol h ARG 506 Ca 0.17 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2wol h ARG 506 Cb 0.21 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2wol h ARG 506 CO -0.01 0.81 0.42 0.00 -1.51 0.00 0.00 179.97 179.67 2wol h ALA 507 N 1.01 0.96 -0.59 2.80 0.00 -0.82 -1.49 119.26 121.14 2wol h ALA 507 Ca 0.17 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2wol h ALA 507 Cb 0.33 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2wol h ALA 507 CO 0.00 0.47 0.06 0.93 0.00 0.00 0.00 179.25 180.71 2wol h GLU 508 N 1.03 0.97 -0.60 0.00 4.39 -1.25 -0.82 114.58 118.30 2wol h GLU 508 Ca 0.26 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2wol h GLU 508 Cb 0.03 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 2wol h GLU 508 CO -0.04 0.92 0.29 -0.07 -1.16 0.00 0.00 179.01 178.94 2wol h LEU 509 N 0.91 0.79 -1.16 1.33 3.38 -1.15 -2.21 115.31 117.21 2wol h LEU 509 Ca 0.18 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2wol h LEU 509 Cb 0.45 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2wol h LEU 509 CO 0.02 0.71 -0.00 -0.50 0.09 0.00 0.00 178.44 178.75 2wol h TRP 510 N 0.83 0.61 -0.67 1.13 4.06 -0.85 -1.29 115.95 119.76 2wol h TRP 510 Ca 0.21 -0.07 -0.04 0.00 2.06 0.00 0.00 58.89 61.05 2wol h TRP 510 Cb 0.13 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 28.08 2wol h TRP 510 CO 0.00 0.59 0.24 0.00 -3.56 0.00 0.00 178.44 175.71 2wol h ARG 511 N 0.56 1.00 -0.59 0.49 3.08 -0.92 -0.92 114.38 117.08 2wol h ARG 511 Ca 0.12 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 2wol h ARG 511 Cb 0.36 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2wol h ARG 511 CO 0.01 0.84 0.07 0.00 -1.07 0.00 0.00 179.97 179.82 2wol h ALA 512 N 1.28 0.79 0.02 0.04 0.00 -0.78 -1.26 119.26 119.35 2wol h ALA 512 Ca 0.22 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2wol h ALA 512 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2wol h ALA 512 CO -0.01 0.57 -0.10 0.28 0.00 0.00 0.00 179.25 179.99 2wol h VAL 513 N 0.90 0.75 -0.67 0.00 2.07 -0.88 -1.24 116.25 117.19 2wol h VAL 513 Ca 0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 2wol h VAL 513 Cb 0.47 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2wol h VAL 513 CO 0.02 0.00 0.39 -0.08 0.02 0.00 0.00 177.57 177.91 2wol h GLU 514 N -0.18 0.92 -0.28 1.57 4.81 -1.07 -0.71 114.58 119.64 2wol h GLU 514 Ca 0.03 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2wol h GLU 514 Cb 0.22 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2wol h GLU 514 CO -0.09 0.68 0.14 -0.09 -0.73 0.00 0.00 179.01 178.92 2wol h ARG 515 N 0.91 0.28 -0.83 1.92 2.43 -1.11 -0.99 114.38 117.00 2wol h ARG 515 Ca 0.24 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 2wol h ARG 515 Cb 0.01 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 2wol h ARG 515 CO -0.04 0.19 0.37 -0.09 -1.51 0.00 0.00 179.97 178.89 2wol h ARG 516 N 0.29 1.21 -0.61 0.20 9.65 -0.74 0.23 114.38 124.61 2wol h ARG 516 Ca 0.12 -0.20 0.01 0.00 -1.10 0.00 0.00 59.98 58.81 2wol h ARG 516 Cb 0.04 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.38 2wol h ARG 516 CO -0.08 0.95 0.40 0.28 2.80 0.00 0.00 179.97 184.32 2wol h VAL 517 N 1.19 1.15 -0.13 0.20 2.07 -0.81 -1.77 116.25 118.14 2wol h VAL 517 Ca 0.28 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 2wol h VAL 517 Cb 0.16 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2wol h VAL 517 CO -0.03 0.15 -0.37 0.24 0.02 0.00 0.00 177.57 177.58 2wol h MET 518 N 0.82 0.28 -0.94 1.57 2.86 -0.66 -2.35 114.93 116.51 2wol h MET 518 Ca 0.23 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.78 2wol h MET 518 Cb -0.08 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.52 2wol h MET 518 CO -0.06 0.62 0.62 0.93 1.06 0.00 0.00 176.91 180.08 2wol h GLU 519 N 0.24 1.15 0.00 1.72 5.08 -0.43 -1.32 114.58 121.03 2wol h GLU 519 Ca 0.03 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2wol h GLU 519 Cb 0.77 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2wol h GLU 519 CO 0.06 0.76 -0.15 0.45 -1.00 0.00 0.00 179.01 179.13 2wol h HIS 520 N 1.18 0.00 -0.88 4.33 3.86 -0.81 -3.47 115.15 119.37 2wol h HIS 520 Ca 0.37 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 59.23 2wol h HIS 520 Cb 0.01 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.34 2wol h HIS 520 CO -0.00 0.15 -0.33 0.00 0.86 0.00 0.00 177.93 178.62 2wol n ALA 521 N -2.37 -0.27 0.25 2.45 0.00 -0.50 -4.88 120.51 115.20 2wol n ALA 521 Ca -0.02 0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.83 2wol n ALA 521 Cb 0.25 -1.80 0.28 0.00 0.00 0.00 0.00 19.45 18.18 2wol n ALA 521 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2wol h VAL 522 N 0.00 0.00 -3.22 0.00 -1.51 -1.85 -3.43 116.25 106.23 2wol h VAL 522 Ca -0.36 -0.88 -0.67 0.00 -1.23 0.00 0.00 66.70 63.57 2wol h VAL 522 Cb 1.13 1.88 -0.34 0.00 -2.13 0.00 0.00 31.29 31.83 2wol h VAL 522 CO 0.52 0.00 -0.87 -0.76 -1.23 0.00 0.00 177.57 175.23 2wol s LEU 523 N -6.11 2.07 -0.45 4.19 1.43 -1.26 -0.12 118.68 118.44 2wol s LEU 523 Ca 0.06 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 2wol s LEU 523 Cb 0.06 -1.41 0.08 0.00 0.03 0.00 0.00 46.19 44.96 2wol s LEU 523 CO 0.64 0.08 0.32 -0.22 0.23 0.00 0.00 176.35 177.40 2wol s LEU 524 N 0.78 5.40 0.25 1.79 2.96 0.72 -4.94 118.68 125.64 2wol s LEU 524 Ca -0.08 -1.52 -0.30 0.00 -0.22 0.00 0.00 54.13 52.01 2wol s LEU 524 Cb -0.16 -2.05 -0.09 0.00 0.50 0.00 0.00 46.19 44.39 2wol s LEU 524 CO -0.01 -0.60 1.23 -2.84 -1.32 0.00 0.00 176.35 172.81 2wol s PRO 525 N 1.48 4.47 0.00 0.98 0.02 -1.26 -1.12 135.00 139.57 2wol s PRO 525 Ca 0.04 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.04 2wol s PRO 525 Cb -0.24 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.10 2wol s PRO 525 CO 0.03 -0.07 0.00 1.28 -0.33 0.00 0.00 177.00 177.91 2wol n LEU 526 N 1.78 0.00 -3.97 -5.54 4.77 -0.41 -4.75 117.00 108.88 2wol n LEU 526 Ca 0.02 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.91 2wol n LEU 526 Cb 0.43 -0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 2wol n LEU 526 CO 0.57 -0.43 -0.30 0.68 -1.33 0.00 0.00 177.39 176.57 2wol s VAL 527 N -0.86 0.13 -0.19 4.08 -7.23 -1.15 -2.25 120.40 112.93 2wol s VAL 527 Ca 0.00 -1.07 -0.23 0.00 -1.81 0.00 0.00 61.98 58.88 2wol s VAL 527 Cb 0.00 -0.62 -0.02 0.00 0.56 0.00 0.00 36.38 36.30 2wol s VAL 527 CO 0.00 -0.59 0.72 -1.00 -0.31 0.00 0.00 175.10 173.92 2wol s HIS 528 N -2.09 3.38 0.51 2.82 3.76 0.79 -0.94 115.29 123.53 2wol s HIS 528 Ca -0.10 1.06 -0.22 0.00 -0.15 0.00 0.00 55.06 55.65 2wol s HIS 528 Cb -0.05 -2.90 -0.06 0.00 1.11 0.00 0.00 32.58 30.69 2wol s HIS 528 CO -0.03 -0.22 1.24 0.34 -0.85 0.00 0.00 174.74 175.22 2wol s ASP 529 N 1.20 5.68 0.25 1.40 -1.08 -0.36 -0.38 116.67 123.38 2wol s ASP 529 Ca 0.32 2.48 0.06 0.00 -0.52 0.00 0.00 52.55 54.90 2wol s ASP 529 Cb -0.16 -2.61 -0.05 0.00 -1.46 0.00 0.00 42.92 38.63 2wol s ASP 529 CO 0.11 -1.27 -0.06 -0.54 0.52 0.00 0.00 175.17 173.93 2wol s LYS 530 N -2.89 1.44 0.11 4.34 1.02 -1.26 -1.68 119.74 120.82 2wol s LYS 530 Ca 0.69 -1.71 -0.07 0.00 0.02 0.00 0.00 55.97 54.90 2wol s LYS 530 Cb -0.33 -0.98 -0.01 0.00 -0.52 0.00 0.00 37.83 35.98 2wol s LYS 530 CO 0.39 0.03 0.17 -0.08 -0.92 0.00 0.00 175.35 174.93 2wol s THR 531 N -3.13 0.13 -0.28 2.17 -1.32 -0.68 -4.79 115.64 107.74 2wol s THR 531 Ca 0.27 -1.42 -0.02 0.00 -1.21 0.00 0.00 61.69 59.31 2wol s THR 531 Cb 0.04 -1.60 0.04 0.00 -1.51 0.00 0.00 72.50 69.46 2wol s THR 531 CO 0.10 -0.57 -0.01 -0.76 -2.21 0.00 0.00 174.62 171.16 2wol s LEU 532 N -2.92 3.67 -0.12 9.08 1.43 -1.26 -3.03 118.68 125.53 2wol s LEU 532 Ca 0.11 -1.09 -0.06 0.00 -1.03 0.00 0.00 54.13 52.06 2wol s LEU 532 Cb 0.05 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 2wol s LEU 532 CO -0.06 -0.21 0.12 -1.00 0.23 0.00 0.00 176.35 175.43 2wol s HIS 533 N 1.30 3.55 -0.16 0.29 3.76 0.12 -0.22 115.29 123.93 2wol s HIS 533 Ca -0.03 0.49 -0.04 0.00 -0.15 0.00 0.00 55.06 55.33 2wol s HIS 533 Cb -0.19 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.55 2wol s HIS 533 CO -0.02 0.71 -0.03 0.12 -0.85 0.00 0.00 174.74 174.67 2wol s PHE 534 N -1.00 3.05 -0.15 1.40 5.36 -1.26 -1.03 117.98 124.35 2wol s PHE 534 Ca 0.15 -0.24 0.02 0.00 -0.96 0.00 0.00 56.93 55.89 2wol s PHE 534 Cb -0.12 -1.97 0.01 0.00 -0.34 0.00 0.00 43.02 40.61 2wol s PHE 534 CO 0.04 -0.00 -0.21 -0.98 -1.46 0.00 0.00 175.22 172.61 2wol s ARG 535 N 0.33 2.92 0.37 10.12 1.70 -0.21 -4.65 118.95 129.53 2wol s ARG 535 Ca -0.03 -0.82 -0.27 0.00 -0.47 0.00 0.00 55.73 54.15 2wol s ARG 535 Cb -0.14 -2.41 -0.09 0.00 -0.57 0.00 0.00 34.95 31.75 2wol s ARG 535 CO 0.03 -0.07 1.20 -0.80 -1.08 0.00 0.00 175.30 174.58 2wol s ASN 536 N 0.95 6.67 0.41 -2.89 0.01 -1.22 -4.78 114.94 114.09 2wol s ASN 536 Ca -0.04 2.43 0.29 0.00 -0.71 0.00 0.00 52.86 54.83 2wol s ASN 536 Cb -0.15 -2.63 1.28 0.00 0.41 0.00 0.00 41.25 40.16 2wol s ASN 536 CO -0.04 -0.58 1.87 1.55 -1.51 0.00 0.00 177.10 178.39 2wol h PRO 537 N 2.97 0.00 -0.01 -0.60 0.13 -1.95 -2.64 132.00 129.90 2wol h PRO 537 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2wol h PRO 537 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2wol h PRO 537 CO 0.64 0.00 -0.05 -2.67 -0.23 0.00 0.00 178.00 175.69 2wol n TRP 538 N -2.63 0.00 -2.95 1.56 2.14 -1.26 -4.81 117.44 109.48 2wol n TRP 538 Ca 0.01 0.00 -0.40 0.00 2.07 0.00 0.00 57.50 59.17 2wol n TRP 538 Cb 0.22 -0.04 -0.04 0.00 -0.81 0.00 0.00 31.31 30.64 2wol n TRP 538 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 2wol s VAL 539 N -2.13 4.97 0.11 -1.67 1.01 -1.00 -0.81 120.40 120.89 2wol s VAL 539 Ca 0.37 1.62 -0.00 0.00 0.00 0.00 0.00 61.98 63.96 2wol s VAL 539 Cb 0.21 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2wol s VAL 539 CO 0.38 0.24 0.28 0.42 0.00 0.00 0.00 175.10 176.42 2wol s THR 540 N 0.78 5.32 -1.25 3.92 -4.23 -0.21 -4.57 115.64 115.38 2wol s THR 540 Ca 0.41 -0.38 -0.03 0.00 -1.18 0.00 0.00 61.69 60.52 2wol s THR 540 Cb -0.19 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 69.99 2wol s THR 540 CO 0.21 0.04 1.04 0.59 -0.54 0.00 0.00 174.62 175.96 2wol n ASN 541 N -0.04 -3.25 -4.68 3.99 3.02 -0.21 -1.74 115.26 112.35 2wol n ASN 541 Ca -0.05 -0.61 -0.40 0.00 -0.03 0.00 0.00 54.58 53.50 2wol n ASN 541 Cb 0.52 -5.04 -0.06 0.00 -0.61 0.00 0.00 39.78 34.60 2wol n ASN 541 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wol s VAL 542 N -3.36 5.05 -0.07 2.41 1.01 -0.65 -4.19 120.40 120.60 2wol s VAL 542 Ca 0.17 1.20 -0.22 0.00 0.00 0.00 0.00 61.98 63.13 2wol s VAL 542 Cb -0.08 -3.94 0.05 0.00 0.00 0.00 0.00 36.38 32.41 2wol s VAL 542 CO 0.74 0.17 0.52 -0.72 0.00 0.00 0.00 175.10 175.80 2wol s TYR 543 N 1.49 -0.47 -0.18 5.22 -0.85 -1.26 -0.60 117.35 120.69 2wol s TYR 543 Ca 0.30 0.89 -0.29 0.00 -0.52 0.00 0.00 57.07 57.45 2wol s TYR 543 Cb -0.16 0.25 -0.01 0.00 0.38 0.00 0.00 41.96 42.42 2wol s TYR 543 CO 0.12 -0.46 1.27 0.08 -1.52 0.00 0.00 175.55 175.04 2wol s VAL 544 N -0.91 4.26 -0.09 -3.49 1.01 0.29 -1.67 120.40 119.79 2wol s VAL 544 Ca -0.09 1.51 -0.30 0.00 0.00 0.00 0.00 61.98 63.10 2wol s VAL 544 Cb -0.03 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2wol s VAL 544 CO 0.06 -0.17 1.20 -2.28 0.00 0.00 0.00 175.10 173.91 2wol s HIS 545 N 3.61 3.12 0.49 5.22 2.46 0.30 -4.67 115.29 125.83 2wol s HIS 545 Ca 0.55 1.19 0.34 0.00 0.47 0.00 0.00 55.06 57.61 2wol s HIS 545 Cb -0.21 -3.43 1.81 0.00 -0.13 0.00 0.00 32.58 30.62 2wol s HIS 545 CO 0.16 -1.33 2.19 -1.00 -2.47 0.00 0.00 174.74 172.29 2wol h PRO 546 N 7.63 0.00 0.00 2.88 0.13 -1.81 0.35 132.00 141.18 2wol h PRO 546 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2wol h PRO 546 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2wol h PRO 546 CO 0.91 0.04 -0.01 0.00 -0.23 0.00 0.00 178.00 178.71 2wol n ALA 547 N -2.21 2.33 0.00 -0.56 0.00 -1.26 -4.28 120.51 114.53 2wol n ALA 547 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2wol n ALA 547 Cb 0.16 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.15 2wol n ALA 547 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wol n PHE 548 N -1.84 0.00 -1.05 0.00 3.01 -0.49 -4.78 117.46 112.31 2wol n PHE 548 Ca 0.06 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.51 2wol n PHE 548 Cb 0.38 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.84 2wol n PHE 548 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wol n GLY 549 N 2.95 0.45 3.25 1.37 0.00 -0.01 -4.95 105.19 108.26 2wol n GLY 549 Ca 0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 2wol n GLY 549 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wol s LEU 550 N -0.37 2.41 0.38 0.99 1.43 -1.25 -4.79 118.68 117.47 2wol s LEU 550 Ca 0.00 -0.82 -0.27 0.00 -1.03 0.00 0.00 54.13 52.01 2wol s LEU 550 Cb 0.00 -0.57 -0.11 0.00 0.03 0.00 0.00 46.19 45.54 2wol s LEU 550 CO 0.00 -0.14 1.33 -1.22 0.23 0.00 0.00 176.35 176.55 2wol n TYR 551 N 0.48 2.38 -2.59 0.29 0.53 -1.26 -0.54 117.16 116.45 2wol n TYR 551 Ca -0.15 0.51 -0.42 0.00 -1.02 0.00 0.00 57.90 56.82 2wol n TYR 551 Cb 0.57 -2.43 -0.02 0.00 -1.03 0.00 0.00 39.34 36.43 2wol n TYR 551 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 2wol s ASP 552 N -0.36 6.57 0.27 7.72 2.15 -0.67 -4.75 116.67 127.60 2wol s ASP 552 Ca 0.57 -1.66 0.00 0.00 0.43 0.00 0.00 52.55 51.90 2wol s ASP 552 Cb -0.52 -2.56 0.63 0.00 -0.30 0.00 0.00 42.92 40.16 2wol s ASP 552 CO 0.61 -1.42 1.69 0.40 -0.17 0.00 0.00 175.17 176.28 2wol h ILE 553 N 6.53 0.47 0.00 4.11 1.08 -1.90 -1.59 117.51 126.21 2wol h ILE 553 Ca 0.23 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.58 2wol h ILE 553 Cb 0.99 0.11 -0.00 0.00 -3.07 0.00 0.00 36.82 34.85 2wol h ILE 553 CO 1.41 0.06 -0.03 0.06 -0.69 0.00 0.00 178.15 178.96 2wol h GLN 554 N 0.34 0.00 0.00 2.37 -0.00 -1.88 -1.69 115.11 114.24 2wol h GLN 554 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.15 2wol h GLN 554 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.41 2wol h GLN 554 CO -0.54 0.03 -0.11 0.00 -0.00 0.00 0.00 178.83 178.21 2wol n ALA 555 N -2.26 2.40 -1.80 0.06 0.00 -0.60 -4.28 120.51 114.02 2wol n ALA 555 Ca -0.03 -0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 2wol n ALA 555 Cb 0.12 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.11 2wol n ALA 555 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2wol s MET 556 N -3.11 3.94 0.00 0.00 -1.94 -0.64 -4.67 119.30 112.87 2wol s MET 556 Ca 0.10 1.34 0.00 0.00 -1.71 0.00 0.00 55.69 55.42 2wol s MET 556 Cb 0.12 -2.18 0.00 0.00 2.01 0.00 0.00 34.83 34.79 2wol s MET 556 CO 0.62 -0.31 0.00 0.41 -0.01 0.00 0.00 175.02 175.73 2wol n GLY 557 N -0.23 4.16 3.29 -0.03 0.00 -0.71 -4.28 105.19 107.39 2wol n GLY 557 Ca 0.08 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 2wol n GLY 557 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wol s LEU 558 N 0.00 2.05 0.46 0.99 2.01 -1.26 -1.05 118.68 121.88 2wol s LEU 558 Ca 0.00 -0.45 -0.22 0.00 0.01 0.00 0.00 54.13 53.47 2wol s LEU 558 Cb 0.00 -1.29 -0.08 0.00 0.01 0.00 0.00 46.19 44.83 2wol s LEU 558 CO 0.00 0.30 1.10 0.00 1.01 0.00 0.00 176.35 178.76 2wol s ALA 559 N -0.56 2.94 -2.00 4.21 0.00 0.01 -4.85 121.76 121.52 2wol s ALA 559 Ca 0.09 0.78 0.08 0.00 0.00 0.00 0.00 51.96 52.91 2wol s ALA 559 Cb -0.10 -3.32 0.50 0.00 0.00 0.00 0.00 23.12 20.21 2wol s ALA 559 CO -0.01 -0.46 0.96 -1.91 0.00 0.00 0.00 175.76 174.34