#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pum n TRP 2 N 0.00 -2.10 -1.95 0.66 -0.00 -1.26 -4.87 117.44 107.93 2pum n TRP 2 Ca 0.00 0.83 -0.03 0.00 -0.00 0.00 0.00 57.50 58.30 2pum n TRP 2 Cb 0.00 -3.16 -0.01 0.00 -0.00 0.00 0.00 31.31 28.14 2pum n TRP 2 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 2pum n GLU 3 N -0.81 0.16 0.00 5.87 2.13 -1.26 -5.04 120.64 121.69 2pum n GLU 3 Ca 0.05 -0.54 0.00 0.00 0.66 0.00 0.00 57.16 57.32 2pum n GLU 3 Cb 0.37 0.44 0.00 0.00 0.27 0.00 0.00 31.44 32.52 2pum n GLU 3 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2pum n VAL 4 N -0.18 0.00 -3.58 6.31 0.24 -1.26 -3.98 118.33 115.88 2pum n VAL 4 Ca -0.13 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.87 2pum n VAL 4 Cb 0.53 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.77 2pum n VAL 4 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2pum s GLY 5 N -0.79 0.92 0.09 7.63 0.00 -1.26 -5.10 107.32 108.82 2pum s GLY 5 Ca 0.00 -1.72 0.03 0.00 0.00 0.00 0.00 44.72 43.03 2pum s GLY 5 CO 0.00 1.91 -0.09 0.00 0.00 0.00 0.00 173.10 174.92 2pum n GLY 7 N 0.56 2.27 0.06 0.00 0.00 -1.26 -4.86 105.19 101.97 2pum n GLY 7 Ca -0.16 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 45.49 2pum n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pum n ALA 8 N 0.00 2.98 -0.32 4.61 0.00 -1.26 -4.22 120.51 122.30 2pum n ALA 8 Ca 0.00 -0.29 0.13 0.00 0.00 0.00 0.00 53.44 53.29 2pum n ALA 8 Cb 0.00 -1.11 0.32 0.00 0.00 0.00 0.00 19.45 18.66 2pum n ALA 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2pum h PRO 9 N 0.00 0.54 -6.11 0.00 0.11 -1.87 -3.43 132.00 121.25 2pum h PRO 9 Ca 0.00 -0.03 -0.75 0.00 0.11 0.00 0.00 66.00 65.33 2pum h PRO 9 Cb 0.78 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.78 2pum h PRO 9 CO 0.00 0.36 0.97 1.33 -0.21 0.00 0.00 178.00 180.45 2pum n VAL 10 N -4.92 0.25 -1.69 3.15 0.24 -1.26 -4.92 118.33 109.19 2pum n VAL 10 Ca 0.23 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.34 62.04 2pum n VAL 10 Cb 0.63 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.84 2pum n VAL 10 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2pum n PRO 11 N 5.71 1.91 -3.99 7.34 -0.02 -1.26 -4.99 135.00 139.70 2pum n PRO 11 Ca 0.30 0.68 -0.34 0.00 -2.02 0.00 0.00 63.50 62.12 2pum n PRO 11 Cb 0.11 -2.30 -0.14 0.00 -0.02 0.00 0.00 33.50 31.15 2pum n PRO 11 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2pum s LEU 12 N -1.23 3.69 0.34 2.45 2.96 -1.26 -5.09 118.68 120.54 2pum s LEU 12 Ca 0.59 -1.34 -0.14 0.00 -0.22 0.00 0.00 54.13 53.02 2pum s LEU 12 Cb -0.54 -1.63 0.03 0.00 0.50 0.00 0.00 46.19 44.54 2pum s LEU 12 CO 0.59 -0.23 0.68 0.68 -1.32 0.00 0.00 176.35 176.76 2pum s VAL 13 N 1.18 0.00 0.15 1.68 -7.23 -1.26 -5.20 120.40 109.72 2pum s VAL 13 Ca -0.07 -1.16 -0.03 0.00 -1.81 0.00 0.00 61.98 58.92 2pum s VAL 13 Cb -0.20 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.11 2pum s VAL 13 CO -0.03 0.00 0.36 -0.75 -0.31 0.00 0.00 175.10 174.38 2pum s LYS 14 N -2.97 3.57 -0.12 4.82 2.47 -1.26 -5.06 119.74 121.18 2pum s LYS 14 Ca 0.18 -0.21 -0.09 0.00 -1.56 0.00 0.00 55.97 54.30 2pum s LYS 14 Cb -0.04 -2.86 -0.04 0.00 -1.46 0.00 0.00 37.83 33.42 2pum s LYS 14 CO 0.12 0.46 0.17 0.00 0.16 0.00 0.00 175.35 176.26 2pum h ASP 16 N 5.25 0.72 0.00 0.00 1.82 -1.98 -3.48 116.42 118.75 2pum h ASP 16 Ca -0.52 -0.90 0.00 0.00 -0.39 0.00 0.00 57.03 55.21 2pum h ASP 16 Cb 1.22 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.99 2pum h ASP 16 CO 0.62 1.74 0.00 -0.62 -1.61 0.00 0.00 179.24 179.36 2pum n GLU 17 N -3.65 0.00 0.00 0.28 1.02 -1.26 -4.54 120.64 112.49 2pum n GLU 17 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 2pum n GLU 17 Cb 1.09 -2.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 2pum n GLU 17 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2pum n ASN 18 N 0.00 0.05 -4.73 1.62 4.13 -1.26 -5.07 115.26 110.00 2pum n ASN 18 Ca 0.00 -1.03 -0.41 0.00 1.68 0.00 0.00 54.58 54.82 2pum n ASN 18 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 2pum n ASN 18 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2pum s SER 19 N -0.03 7.06 0.00 6.41 0.15 -1.26 -4.92 113.70 121.12 2pum s SER 19 Ca 0.00 2.23 0.05 0.00 0.70 0.00 0.00 55.95 58.93 2pum s SER 19 Cb 0.00 -2.60 0.32 0.00 -1.71 0.00 0.00 66.02 62.03 2pum s SER 19 CO 0.00 -0.40 1.16 -2.65 1.20 0.00 0.00 173.24 172.55 2pum n PRO 20 N 2.70 0.95 -4.46 5.44 -0.02 -1.26 -4.88 135.00 133.48 2pum n PRO 20 Ca 0.05 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.31 2pum n PRO 20 Cb 0.45 -1.09 -0.14 0.00 -0.02 0.00 0.00 33.50 32.70 2pum n PRO 20 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2pum s TYR 21 N -2.00 1.39 0.60 6.00 2.02 -1.26 -5.09 117.35 119.01 2pum s TYR 21 Ca 0.08 -0.35 -0.17 0.00 -0.37 0.00 0.00 57.07 56.26 2pum s TYR 21 Cb 0.04 -0.83 -0.03 0.00 -0.40 0.00 0.00 41.96 40.74 2pum s TYR 21 CO 0.06 0.05 1.13 1.03 -1.57 0.00 0.00 175.55 176.25 2pum s ARG 22 N -1.07 3.05 1.09 -0.62 0.52 -1.26 -5.02 118.95 115.64 2pum s ARG 22 Ca 0.04 1.56 -0.15 0.00 -0.52 0.00 0.00 55.73 56.65 2pum s ARG 22 Cb -0.08 -1.97 0.23 0.00 0.52 0.00 0.00 34.95 33.66 2pum s ARG 22 CO 0.01 -1.09 1.11 0.95 0.02 0.00 0.00 175.30 176.30 2pum s THR 23 N -1.98 1.83 0.14 0.02 -4.23 -1.26 -4.96 115.64 105.21 2pum s THR 23 Ca 0.71 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.28 2pum s THR 23 Cb -0.23 -2.51 -0.18 0.00 1.34 0.00 0.00 72.50 70.91 2pum s THR 23 CO 0.34 0.00 1.33 0.40 -0.54 0.00 0.00 174.62 176.15 2pum h ILE 24 N -2.19 1.63 0.00 2.99 1.08 -1.91 -3.33 117.51 115.78 2pum h ILE 24 Ca -0.50 -3.11 -0.01 0.00 -0.39 0.00 0.00 64.86 60.85 2pum h ILE 24 Cb 1.31 2.71 -0.00 0.00 -3.07 0.00 0.00 36.82 37.77 2pum h ILE 24 CO 0.47 0.89 -1.09 0.35 -0.69 0.00 0.00 178.15 178.09 2pum n THR 25 N -3.47 0.62 0.00 -0.27 -2.24 -1.25 -4.39 114.28 103.28 2pum n THR 25 Ca -0.01 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2pum n THR 25 Cb 0.88 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 2pum n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pum n GLY 26 N 1.20 3.08 3.53 3.38 0.00 -1.25 -0.37 105.19 114.75 2pum n GLY 26 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2pum n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pum n ASP 27 N 0.00 -0.15 -0.04 1.61 8.00 -1.26 -3.17 116.55 121.54 2pum n ASP 27 Ca 0.00 0.83 -0.00 0.00 0.71 0.00 0.00 54.79 56.32 2pum n ASP 27 Cb 0.00 -1.25 -0.00 0.00 -0.02 0.00 0.00 41.12 39.85 2pum n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pum h ASN 29 N 0.00 0.28 -3.41 0.00 -0.73 -1.72 -3.43 115.58 106.56 2pum h ASN 29 Ca -0.01 -0.63 -0.60 0.00 1.87 0.00 0.00 56.30 56.93 2pum h ASN 29 Cb 0.16 -0.08 -0.11 0.00 0.27 0.00 0.00 38.32 38.56 2pum h ASN 29 CO 0.01 0.86 -0.24 0.21 -0.37 0.00 0.00 177.43 177.91 2pum s ASN 30 N -6.20 6.45 0.02 1.15 3.84 -1.26 -4.60 114.94 114.34 2pum s ASN 30 Ca -0.15 0.53 -0.17 0.00 0.21 0.00 0.00 52.86 53.28 2pum s ASN 30 Cb 0.03 -2.22 -0.32 0.00 -0.55 0.00 0.00 41.25 38.19 2pum s ASN 30 CO 0.74 -0.01 1.02 0.03 -2.79 0.00 0.00 177.10 176.10 2pum h ARG 31 N 7.10 0.52 0.00 0.43 3.08 -1.94 -2.54 114.38 121.03 2pum h ARG 31 Ca -0.38 -0.78 0.00 0.00 0.07 0.00 0.00 59.98 58.89 2pum h ARG 31 Cb 1.16 0.27 0.00 0.00 0.08 0.00 0.00 29.97 31.49 2pum h ARG 31 CO 0.73 1.36 -0.57 2.89 -1.07 0.00 0.00 179.97 183.31 2pum n ARG 32 N -3.87 0.16 -3.35 0.04 1.85 -1.26 -4.36 116.66 105.87 2pum n ARG 32 Ca -0.15 0.04 -0.26 0.00 -1.00 0.00 0.00 57.85 56.49 2pum n ARG 32 Cb 0.97 -1.60 -0.09 0.00 -1.05 0.00 0.00 32.46 30.69 2pum n ARG 32 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2pum n SER 33 N -1.83 0.13 0.18 2.89 2.88 -1.23 -5.01 113.62 111.63 2pum n SER 33 Ca 0.04 -2.58 0.13 0.00 -1.33 0.00 0.00 58.87 55.13 2pum n SER 33 Cb 0.39 -0.60 0.66 0.00 -0.75 0.00 0.00 64.21 63.91 2pum n SER 33 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2pum h PRO 34 N 4.96 0.00 0.00 -1.46 0.11 -1.65 -2.36 132.00 131.61 2pum h PRO 34 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2pum h PRO 34 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2pum h PRO 34 CO 0.44 0.00 -0.89 0.00 -0.21 0.00 0.00 178.00 177.35 2pum n ALA 35 N -1.82 4.37 -1.62 -0.75 0.00 -1.26 -0.02 120.51 119.40 2pum n ALA 35 Ca -0.01 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 2pum n ALA 35 Cb 0.08 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 2pum n ALA 35 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2pum n LEU 36 N -1.53 3.60 0.00 0.00 7.94 -0.89 -1.36 117.00 124.76 2pum n LEU 36 Ca 0.04 0.53 0.00 0.00 -1.11 0.00 0.00 56.01 55.47 2pum n LEU 36 Cb 0.34 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 42.76 2pum n LEU 36 CO 0.41 -0.30 0.00 0.61 -1.11 0.00 0.00 177.39 177.00 2pum n GLY 37 N 5.24 0.55 3.79 -3.96 0.00 -1.26 -4.63 105.19 104.92 2pum n GLY 37 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 2pum n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pum s ALA 38 N -2.27 2.49 0.89 4.61 0.00 -0.47 -2.24 121.76 124.77 2pum s ALA 38 Ca 0.00 0.32 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 2pum s ALA 38 Cb 0.00 -3.26 0.13 0.00 0.00 0.00 0.00 23.12 19.99 2pum s ALA 38 CO 0.00 -1.35 1.14 0.00 0.00 0.00 0.00 175.76 175.55 2pum s ALA 39 N -2.70 1.91 -1.45 0.00 0.00 0.50 -4.18 121.76 115.84 2pum s ALA 39 Ca 0.62 -0.53 -0.09 0.00 0.00 0.00 0.00 51.96 51.97 2pum s ALA 39 Cb -0.17 -3.03 0.03 0.00 0.00 0.00 0.00 23.12 19.95 2pum s ALA 39 CO 0.49 -2.18 0.92 0.09 0.00 0.00 0.00 175.76 175.08 2pum n ASN 40 N -3.69 -5.84 -4.09 0.00 3.02 0.87 -4.88 115.26 100.65 2pum n ASN 40 Ca 0.07 -0.50 -0.15 0.00 -0.03 0.00 0.00 54.58 53.97 2pum n ASN 40 Cb 0.59 -4.66 -0.10 0.00 -0.61 0.00 0.00 39.78 35.01 2pum n ASN 40 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2pum s ARG 41 N -6.17 1.37 0.43 3.52 0.52 -1.05 -4.25 118.95 113.33 2pum s ARG 41 Ca 0.50 -1.75 -0.26 0.00 -0.52 0.00 0.00 55.73 53.71 2pum s ARG 41 Cb -0.23 0.12 -0.09 0.00 0.52 0.00 0.00 34.95 35.27 2pum s ARG 41 CO 0.62 -0.41 1.41 0.00 0.02 0.00 0.00 175.30 176.94 2pum s ALA 42 N -3.91 3.29 0.53 2.13 0.00 -1.26 0.39 121.76 122.93 2pum s ALA 42 Ca 0.38 1.43 -0.22 0.00 0.00 0.00 0.00 51.96 53.55 2pum s ALA 42 Cb 0.06 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 2pum s ALA 42 CO 0.15 -1.09 1.31 -0.51 0.00 0.00 0.00 175.76 175.62 2pum s LEU 43 N -2.57 3.88 0.71 0.00 1.43 -0.65 -4.69 118.68 116.78 2pum s LEU 43 Ca 0.59 2.65 -0.12 0.00 -1.03 0.00 0.00 54.13 56.22 2pum s LEU 43 Cb -0.43 -4.28 0.02 0.00 0.03 0.00 0.00 46.19 41.53 2pum s LEU 43 CO 0.55 -1.43 1.07 0.00 0.23 0.00 0.00 176.35 176.78 2pum s ALA 44 N -1.37 2.53 -0.34 4.21 0.00 0.24 -4.69 121.76 122.35 2pum s ALA 44 Ca 0.70 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.91 2pum s ALA 44 Cb -0.37 -3.22 0.10 0.00 0.00 0.00 0.00 23.12 19.62 2pum s ALA 44 CO 0.44 -1.35 0.05 1.03 0.00 0.00 0.00 175.76 175.93 2pum s ARG 45 N -4.81 1.64 0.43 0.00 1.81 -1.26 -0.47 118.95 116.29 2pum s ARG 45 Ca 0.60 -1.80 0.18 0.00 -1.72 0.00 0.00 55.73 52.99 2pum s ARG 45 Cb -0.16 -3.21 0.98 0.00 -0.45 0.00 0.00 34.95 32.11 2pum s ARG 45 CO 0.52 -0.91 1.92 -1.49 -0.68 0.00 0.00 175.30 174.66 2pum h TRP 46 N 7.68 0.00 -4.18 -0.53 6.55 -1.96 -3.44 115.95 120.07 2pum h TRP 46 Ca -0.07 0.00 -0.14 0.00 0.95 0.00 0.00 58.89 59.63 2pum h TRP 46 Cb 1.03 0.00 -0.15 0.00 -0.86 0.00 0.00 29.16 29.18 2pum h TRP 46 CO 0.49 0.26 -0.68 -0.51 -1.05 0.00 0.00 178.44 176.96 2pum s LEU 47 N -7.83 2.43 0.32 -4.49 1.43 -1.26 -5.13 118.68 104.15 2pum s LEU 47 Ca -0.03 -1.02 -0.29 0.00 -1.03 0.00 0.00 54.13 51.77 2pum s LEU 47 Cb 0.14 0.16 -0.10 0.00 0.03 0.00 0.00 46.19 46.42 2pum s LEU 47 CO 0.67 -0.59 1.32 -2.84 0.23 0.00 0.00 176.35 175.14 2pum s PRO 48 N -3.92 4.35 0.52 1.29 0.02 -1.26 -4.95 135.00 131.05 2pum s PRO 48 Ca 0.09 2.22 -0.21 0.00 0.02 0.00 0.00 61.00 63.12 2pum s PRO 48 Cb 0.07 -3.08 -0.07 0.00 0.02 0.00 0.00 34.50 31.44 2pum s PRO 48 CO -0.08 -0.21 1.02 0.00 -0.33 0.00 0.00 177.00 177.39 2pum n ALA 49 N 1.03 0.33 -3.99 -1.55 0.00 -1.26 -4.69 120.51 110.38 2pum n ALA 49 Ca 0.01 0.11 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 2pum n ALA 49 Cb 0.42 -2.12 -0.15 0.00 0.00 0.00 0.00 19.45 17.59 2pum n ALA 49 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2pum s GLU 50 N -2.46 1.64 0.15 0.00 2.02 0.18 -4.98 118.70 115.25 2pum s GLU 50 Ca 0.70 -1.51 0.09 0.00 0.02 0.00 0.00 54.97 54.26 2pum s GLU 50 Cb -0.47 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 2pum s GLU 50 CO 0.52 -0.79 -0.14 0.71 0.02 0.00 0.00 175.26 175.58 2pum s TYR 51 N 1.10 2.57 0.26 1.61 2.02 -1.26 -4.33 117.35 119.32 2pum s TYR 51 Ca 0.03 -0.25 -0.02 0.00 -0.37 0.00 0.00 57.07 56.46 2pum s TYR 51 Cb -0.19 -1.30 0.50 0.00 -0.40 0.00 0.00 41.96 40.57 2pum s TYR 51 CO -0.09 0.46 1.78 1.49 -1.57 0.00 0.00 175.55 177.62 2pum h GLU 52 N 3.28 0.66 -0.40 -0.62 4.81 0.38 0.10 114.58 122.79 2pum h GLU 52 Ca -0.48 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.64 2pum h GLU 52 Cb 1.19 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.38 2pum h GLU 52 CO 0.50 0.44 0.05 -0.40 -0.73 0.00 0.00 179.01 178.87 2pum n ASP 53 N -4.83 4.02 0.00 1.04 5.75 -1.25 -4.95 116.55 116.33 2pum n ASP 53 Ca 0.16 -3.18 0.00 0.00 -0.01 0.00 0.00 54.79 51.76 2pum n ASP 53 Cb 0.39 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 2pum n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pum n GLY 54 N -0.45 1.60 0.57 6.12 0.00 0.02 -4.68 105.19 108.37 2pum n GLY 54 Ca 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.26 2pum n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pum n LEU 55 N 0.00 1.26 0.00 0.99 4.32 -1.26 -4.63 117.00 117.68 2pum n LEU 55 Ca 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 2pum n LEU 55 Cb 0.00 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 2pum n LEU 55 CO 0.00 0.26 0.00 0.00 -1.22 0.00 0.00 177.39 176.43 2pum n ALA 56 N -2.98 0.00 -2.63 -1.18 0.00 -1.26 -0.08 120.51 112.38 2pum n ALA 56 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 2pum n ALA 56 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 2pum n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pum s LEU 57 N 0.00 4.39 0.70 0.00 2.01 -1.26 -4.94 118.68 119.58 2pum s LEU 57 Ca 0.00 1.62 -0.11 0.00 0.01 0.00 0.00 54.13 55.65 2pum s LEU 57 Cb 0.00 -3.50 0.01 0.00 0.01 0.00 0.00 46.19 42.71 2pum s LEU 57 CO 0.00 -0.20 1.06 -2.84 1.01 0.00 0.00 176.35 175.38 2pum s PRO 58 N 0.79 2.90 0.22 1.29 0.02 -1.26 0.95 135.00 139.91 2pum s PRO 58 Ca 0.49 0.79 -0.30 0.00 0.02 0.00 0.00 61.00 62.01 2pum s PRO 58 Cb -0.21 -2.00 -0.09 0.00 0.02 0.00 0.00 34.50 32.23 2pum s PRO 58 CO 0.27 -1.08 1.15 -0.06 -0.33 0.00 0.00 177.00 176.95 2pum s PHE 59 N -3.13 3.49 0.00 6.54 0.40 -1.26 -2.76 117.98 121.25 2pum s PHE 59 Ca 0.58 1.55 0.00 0.00 -0.60 0.00 0.00 56.93 58.46 2pum s PHE 59 Cb -0.13 -3.37 0.00 0.00 0.51 0.00 0.00 43.02 40.03 2pum s PHE 59 CO 0.54 -0.92 0.00 0.41 0.70 0.00 0.00 175.22 175.96 2pum n GLY 60 N 1.76 0.51 0.17 4.36 0.00 -1.26 -4.92 105.19 105.81 2pum n GLY 60 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 2pum n GLY 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2pum h TRP 61 N 0.00 -0.37 -3.36 1.61 2.91 -1.90 -3.41 115.95 111.43 2pum h TRP 61 Ca 0.00 -0.01 -0.59 0.00 1.13 0.00 0.00 58.89 59.42 2pum h TRP 61 Cb 0.00 0.12 -0.09 0.00 -0.51 0.00 0.00 29.16 28.68 2pum h TRP 61 CO 0.00 -0.23 0.32 0.99 -1.03 0.00 0.00 178.44 178.48 2pum s THR 62 N -3.05 4.91 0.49 2.65 2.01 -1.26 -4.93 115.64 116.46 2pum s THR 62 Ca -0.06 1.41 0.30 0.00 0.31 0.00 0.00 61.69 63.64 2pum s THR 62 Cb 0.01 -4.05 0.33 0.00 0.01 0.00 0.00 72.50 68.80 2pum s THR 62 CO 0.18 0.01 2.16 1.56 -0.69 0.00 0.00 174.62 177.84 2pum h GLN 63 N 7.62 0.00 -0.06 4.92 1.08 -2.01 -2.54 115.11 124.12 2pum h GLN 63 Ca -0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 2pum h GLN 63 Cb 1.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 2pum h GLN 63 CO 0.82 0.06 0.00 2.89 -0.95 0.00 0.00 178.83 181.66 2pum n ARG 64 N -3.67 1.31 -2.97 1.46 -4.01 -1.26 -4.89 116.66 102.63 2pum n ARG 64 Ca -0.02 -1.50 -0.41 0.00 -1.04 0.00 0.00 57.85 54.88 2pum n ARG 64 Cb 0.17 -1.31 -0.04 0.00 -3.04 0.00 0.00 32.46 28.24 2pum n ARG 64 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 2pum s LYS 65 N -1.29 4.38 0.56 2.89 -0.14 -0.96 -5.06 119.74 120.12 2pum s LYS 65 Ca 0.20 0.95 0.05 0.00 -1.36 0.00 0.00 55.97 55.81 2pum s LYS 65 Cb 0.13 -3.50 0.06 0.00 -1.68 0.00 0.00 37.83 32.84 2pum s LYS 65 CO 0.20 -0.11 0.77 0.95 -0.76 0.00 0.00 175.35 176.40 2pum s THR 66 N 1.38 2.50 -0.24 2.17 -4.23 -1.26 -4.78 115.64 111.19 2pum s THR 66 Ca 0.38 -0.84 -0.03 0.00 -1.18 0.00 0.00 61.69 60.03 2pum s THR 66 Cb -0.17 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 71.02 2pum s THR 66 CO 0.16 0.00 -0.06 -0.60 -0.54 0.00 0.00 174.62 173.59 2pum s ARG 67 N -4.70 3.05 -2.01 3.99 3.52 0.20 -4.63 118.95 118.36 2pum s ARG 67 Ca 0.60 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 2pum s ARG 67 Cb -0.08 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 2pum s ARG 67 CO 0.38 -0.32 0.00 0.09 -0.81 0.00 0.00 175.30 174.64 2pum n ASN 68 N 4.72 -5.44 0.00 -2.12 3.02 -1.26 -1.90 115.26 112.28 2pum n ASN 68 Ca -0.17 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 2pum n ASN 68 Cb 0.49 -4.73 0.00 0.00 -0.61 0.00 0.00 39.78 34.93 2pum n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pum n GLY 69 N -0.57 1.74 3.35 7.41 0.00 -1.26 -5.06 105.19 110.80 2pum n GLY 69 Ca -0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 2pum n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pum s PHE 70 N -2.43 1.82 0.10 1.61 0.40 -0.80 -4.95 117.98 113.74 2pum s PHE 70 Ca 0.00 -0.50 -0.31 0.00 -0.60 0.00 0.00 56.93 55.52 2pum s PHE 70 Cb 0.00 -0.86 -0.07 0.00 0.51 0.00 0.00 43.02 42.60 2pum s PHE 70 CO 0.00 0.39 1.30 1.03 0.70 0.00 0.00 175.22 178.63 2pum s ARG 71 N -3.26 4.38 0.22 0.44 0.52 -1.26 0.58 118.95 120.57 2pum s ARG 71 Ca 0.20 1.93 -0.30 0.00 -0.52 0.00 0.00 55.73 57.05 2pum s ARG 71 Cb -0.03 -3.29 -0.08 0.00 0.52 0.00 0.00 34.95 32.07 2pum s ARG 71 CO 0.08 -0.33 1.13 0.14 0.02 0.00 0.00 175.30 176.33 2pum s VAL 72 N 0.98 3.63 0.58 3.52 -7.23 -1.26 -4.89 120.40 115.72 2pum s VAL 72 Ca 0.61 1.48 -0.18 0.00 -1.81 0.00 0.00 61.98 62.08 2pum s VAL 72 Cb -0.33 -3.94 -0.04 0.00 0.56 0.00 0.00 36.38 32.62 2pum s VAL 72 CO 0.30 0.29 1.13 -2.16 -0.31 0.00 0.00 175.10 174.35 2pum s PRO 73 N -0.76 3.16 0.37 4.82 0.04 -1.26 -4.95 135.00 136.42 2pum s PRO 73 Ca 0.48 1.55 -0.27 0.00 0.04 0.00 0.00 61.00 62.80 2pum s PRO 73 Cb -0.31 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.13 2pum s PRO 73 CO 0.38 -1.00 1.33 1.28 0.04 0.00 0.00 177.00 179.03 2pum n LEU 74 N -1.67 3.93 0.11 -3.56 4.32 -1.26 -4.89 117.00 113.98 2pum n LEU 74 Ca 0.11 1.19 -0.13 0.00 -0.02 0.00 0.00 56.01 57.16 2pum n LEU 74 Cb 0.51 -1.52 -0.06 0.00 -1.62 0.00 0.00 43.42 40.73 2pum n LEU 74 CO 0.44 -0.38 0.62 0.00 -1.22 0.00 0.00 177.39 176.85 2pum h ALA 75 N 2.53 -0.63 0.00 -1.18 0.00 -1.88 -2.50 119.26 115.61 2pum h ALA 75 Ca -0.47 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 2pum h ALA 75 Cb 1.28 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 2pum h ALA 75 CO 0.62 -0.92 -0.13 -0.09 0.00 0.00 0.00 179.25 178.73 2pum h ARG 76 N -0.59 0.00 -0.15 0.00 9.65 -1.85 -1.82 114.38 119.62 2pum h ARG 76 Ca 0.03 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.69 2pum h ARG 76 Cb 0.62 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.21 2pum h ARG 76 CO -0.22 0.13 -0.77 1.49 2.80 0.00 0.00 179.97 183.40 2pum h GLU 77 N 0.00 0.76 -0.78 0.20 4.81 -1.80 0.61 114.58 118.39 2pum h GLU 77 Ca -0.00 -0.62 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 2pum h GLU 77 Cb 0.30 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 2pum h GLU 77 CO 0.02 1.23 0.49 0.28 -0.73 0.00 0.00 179.01 180.30 2pum h VAL 78 N 0.52 1.21 0.44 0.32 2.07 -1.15 -1.04 116.25 118.63 2pum h VAL 78 Ca -0.05 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 2pum h VAL 78 Cb 1.39 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2pum h VAL 78 CO 0.16 0.21 -0.21 -1.28 0.02 0.00 0.00 177.57 176.47 2pum h SER 79 N 1.06 -0.50 -0.51 0.57 0.87 -1.01 -2.11 113.55 111.91 2pum h SER 79 Ca 0.28 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 2pum h SER 79 Cb -0.08 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 2pum h SER 79 CO -0.06 -0.30 0.31 0.78 -0.53 0.00 0.00 176.83 177.03 2pum h ASN 80 N -0.68 0.63 0.59 6.23 2.35 -0.45 -0.81 115.58 123.45 2pum h ASN 80 Ca -0.06 -0.04 -0.20 0.00 -0.55 0.00 0.00 56.30 55.45 2pum h ASN 80 Cb 0.50 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.68 2pum h ASN 80 CO 0.10 0.50 -1.55 0.29 -1.65 0.00 0.00 177.43 175.12 2pum n LYS 81 N -4.42 0.63 -0.05 0.81 5.02 -0.43 -4.47 118.16 115.26 2pum n LYS 81 Ca 0.05 0.21 -0.08 0.00 -2.02 0.00 0.00 58.31 56.46 2pum n LYS 81 Cb 0.08 -1.78 -0.04 0.00 -0.02 0.00 0.00 35.03 33.28 2pum n LYS 81 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2pum n ILE 82 N -2.89 0.50 0.10 -0.18 5.41 -0.80 -4.86 119.36 116.65 2pum n ILE 82 Ca -0.12 -0.15 -0.16 0.00 1.00 0.00 0.00 62.75 63.31 2pum n ILE 82 Cb 0.89 -1.32 -0.12 0.00 -0.71 0.00 0.00 39.64 38.39 2pum n ILE 82 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2pum h VAL 83 N -0.21 1.45 -4.12 1.39 2.07 -1.13 -3.44 116.25 112.27 2pum h VAL 83 Ca -0.22 -2.87 -0.49 0.00 0.82 0.00 0.00 66.70 63.94 2pum h VAL 83 Cb 1.24 2.82 0.06 0.00 -1.52 0.00 0.00 31.29 33.89 2pum h VAL 83 CO -0.10 0.84 0.31 -0.83 0.02 0.00 0.00 177.57 177.82 2pum s GLY 84 N -4.59 1.61 0.26 2.17 0.00 -1.04 -2.33 107.32 103.40 2pum s GLY 84 Ca -0.05 -0.43 -0.22 0.00 0.00 0.00 0.00 44.72 44.02 2pum s GLY 84 CO 0.89 -0.13 0.74 -2.52 0.00 0.00 0.00 173.10 172.08 2pum s TYR 85 N -3.16 -0.20 -0.06 1.90 -0.85 -1.26 -4.70 117.35 109.01 2pum s TYR 85 Ca 0.55 -0.23 0.06 0.00 -0.52 0.00 0.00 57.07 56.93 2pum s TYR 85 Cb -0.11 0.70 -0.08 0.00 0.38 0.00 0.00 41.96 42.85 2pum s TYR 85 CO 0.49 -1.18 0.03 1.28 -1.52 0.00 0.00 175.55 174.66 2pum n LEU 86 N -0.46 0.00 -4.39 -3.49 4.77 -1.26 -4.70 117.00 107.47 2pum n LEU 86 Ca -0.05 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 2pum n LEU 86 Cb 0.59 0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.73 2pum n LEU 86 CO 0.15 0.14 -0.10 -0.62 -1.33 0.00 0.00 177.39 175.64 2pum s ASP 87 N -3.70 5.91 0.02 -1.43 2.15 -1.26 -4.90 116.67 113.47 2pum s ASP 87 Ca -0.03 -1.07 0.19 0.00 0.43 0.00 0.00 52.55 52.07 2pum s ASP 87 Cb 0.02 -2.09 0.81 0.00 -0.30 0.00 0.00 42.92 41.37 2pum s ASP 87 CO 0.26 -0.46 1.61 -0.62 -0.17 0.00 0.00 175.17 175.79 2pum n GLU 88 N 5.07 0.02 -2.13 4.34 -0.58 -1.26 -4.79 120.64 121.32 2pum n GLU 88 Ca -0.11 0.19 -0.41 0.00 -0.42 0.00 0.00 57.16 56.41 2pum n GLU 88 Cb 0.46 -1.53 -0.02 0.00 -0.57 0.00 0.00 31.44 29.77 2pum n GLU 88 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2pum s GLU 89 N -3.02 4.35 -0.03 3.49 2.12 -1.26 -2.66 118.70 121.69 2pum s GLU 89 Ca 0.09 2.18 0.00 0.00 0.36 0.00 0.00 54.97 57.60 2pum s GLU 89 Cb 0.12 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.40 2pum s GLU 89 CO 0.35 -0.24 0.00 0.41 -0.54 0.00 0.00 175.26 175.24 2pum n GLY 90 N 1.53 0.47 0.02 -1.50 0.00 -1.26 -4.92 105.19 99.53 2pum n GLY 90 Ca 0.03 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.94 2pum n GLY 90 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2pum n VAL 91 N -2.94 0.08 -2.37 1.61 3.14 -1.09 -4.96 118.33 111.81 2pum n VAL 91 Ca -0.00 -0.18 -0.40 0.00 -2.96 0.00 0.00 64.34 60.80 2pum n VAL 91 Cb 0.04 0.43 -0.03 0.00 -1.06 0.00 0.00 33.84 33.22 2pum n VAL 91 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2pum s LEU 92 N -3.65 4.41 -0.64 6.55 1.43 -1.26 -1.03 118.68 124.49 2pum s LEU 92 Ca 0.04 2.35 -0.28 0.00 -1.03 0.00 0.00 54.13 55.21 2pum s LEU 92 Cb 0.15 -3.77 0.02 0.00 0.03 0.00 0.00 46.19 42.62 2pum s LEU 92 CO 0.83 -0.38 1.32 -0.62 0.23 0.00 0.00 176.35 177.74 2pum s ASP 93 N -0.92 6.19 0.63 2.29 -1.08 0.38 -4.59 116.67 119.57 2pum s ASP 93 Ca 0.49 -0.04 0.22 0.00 -0.52 0.00 0.00 52.55 52.70 2pum s ASP 93 Cb -0.32 -2.55 1.06 0.00 -1.46 0.00 0.00 42.92 39.65 2pum s ASP 93 CO 0.42 -1.72 1.57 1.56 0.52 0.00 0.00 175.17 177.51 2pum h GLN 94 N 10.42 0.00 0.00 4.34 1.08 -1.94 -3.03 115.11 125.98 2pum h GLN 94 Ca -0.27 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 56.85 2pum h GLN 94 Cb 1.07 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.32 2pum h GLN 94 CO 1.22 0.00 -0.75 -1.71 -0.95 0.00 0.00 178.83 176.64 2pum n ASN 95 N -3.08 1.37 -3.69 1.46 5.15 -1.26 -4.49 115.26 110.73 2pum n ASN 95 Ca 0.06 -3.00 -0.13 0.00 -0.60 0.00 0.00 54.58 50.91 2pum n ASN 95 Cb 0.83 -0.42 -0.13 0.00 -0.53 0.00 0.00 39.78 39.53 2pum n ASN 95 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2pum s ARG 96 N -1.71 0.19 0.81 1.20 1.81 -1.15 -3.64 118.95 116.47 2pum s ARG 96 Ca 0.36 0.70 -0.12 0.00 -1.72 0.00 0.00 55.73 54.96 2pum s ARG 96 Cb 0.38 -0.04 0.08 0.00 -0.45 0.00 0.00 34.95 34.92 2pum s ARG 96 CO -0.12 -0.24 1.10 -1.54 -0.68 0.00 0.00 175.30 173.83 2pum s SER 97 N 2.00 4.34 0.54 0.23 1.04 -0.80 -0.46 113.70 120.60 2pum s SER 97 Ca -0.03 1.29 0.25 0.00 0.48 0.00 0.00 55.95 57.94 2pum s SER 97 Cb -0.11 -2.01 1.43 0.00 0.10 0.00 0.00 66.02 65.43 2pum s SER 97 CO -0.09 -2.07 2.04 0.25 0.98 0.00 0.00 173.24 174.35 2pum h LEU 98 N -1.15 0.00 -1.67 2.42 6.46 -0.85 -0.11 115.31 120.42 2pum h LEU 98 Ca -0.47 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.25 2pum h LEU 98 Cb 1.27 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.20 2pum h LEU 98 CO 0.59 0.00 -0.19 0.25 -0.62 0.00 0.00 178.44 178.47 2pum h LEU 99 N 0.00 0.00 0.36 2.25 5.85 -1.71 -2.24 115.31 119.81 2pum h LEU 99 Ca 0.17 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2pum h LEU 99 Cb 0.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2pum h LEU 99 CO -0.00 0.19 -0.18 0.15 -0.34 0.00 0.00 178.44 178.26 2pum h PHE 100 N 0.00 -0.46 -0.92 1.25 3.57 -1.26 0.22 116.94 119.34 2pum h PHE 100 Ca -0.00 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.63 2pum h PHE 100 Cb 0.44 0.15 -0.09 0.00 2.79 0.00 0.00 35.95 39.24 2pum h PHE 100 CO 0.00 -0.28 0.53 1.98 -2.23 0.00 0.00 178.31 178.30 2pum h MET 101 N -0.49 0.74 0.05 1.11 4.05 -1.59 -3.14 114.93 115.66 2pum h MET 101 Ca -0.05 -0.04 -0.24 0.00 -0.28 0.00 0.00 59.70 59.09 2pum h MET 101 Cb 0.38 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 2pum h MET 101 CO 0.08 0.49 -1.04 0.37 0.23 0.00 0.00 176.91 177.04 2pum h GLN 102 N 0.76 0.32 -0.03 0.39 5.75 -0.74 -3.10 115.11 118.45 2pum h GLN 102 Ca 0.49 -0.40 -0.06 0.00 -0.15 0.00 0.00 58.65 58.53 2pum h GLN 102 Cb 0.63 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.30 2pum h GLN 102 CO -0.33 1.12 -0.25 2.35 -2.65 0.00 0.00 178.83 179.07 2pum h TRP 103 N 0.15 0.06 -0.73 3.99 2.91 -0.56 -2.63 115.95 119.14 2pum h TRP 103 Ca -0.09 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.86 2pum h TRP 103 Cb 1.70 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 30.31 2pum h TRP 103 CO 0.05 0.30 0.22 0.78 -1.03 0.00 0.00 178.44 178.76 2pum h GLY 104 N 0.81 1.22 1.90 2.65 0.00 -1.52 -1.08 103.07 107.05 2pum h GLY 104 Ca 0.01 -0.73 -0.11 0.00 0.00 0.00 0.00 47.33 46.50 2pum h GLY 104 CO 0.03 0.68 -0.49 -1.61 0.00 0.00 0.00 176.54 175.15 2pum h GLN 105 N 1.09 0.10 0.21 4.80 4.15 -1.48 -1.71 115.11 122.27 2pum h GLN 105 Ca 0.23 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 2pum h GLN 105 Cb 0.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.01 2pum h GLN 105 CO -0.01 0.57 -0.10 0.82 -1.93 0.00 0.00 178.83 178.19 2pum h ILE 106 N 0.08 0.88 -0.13 2.39 2.04 -1.07 -2.66 117.51 119.04 2pum h ILE 106 Ca 0.00 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.34 2pum h ILE 106 Cb 0.90 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 2pum h ILE 106 CO 0.07 0.12 -0.10 0.58 0.00 0.00 0.00 178.15 178.82 2pum h VAL 107 N -0.56 0.70 -0.72 1.67 2.07 -1.17 -1.93 116.25 116.31 2pum h VAL 107 Ca -0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.60 2pum h VAL 107 Cb 0.42 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 2pum h VAL 107 CO 0.05 0.00 0.34 -0.78 0.02 0.00 0.00 177.57 177.19 2pum h ASP 108 N -0.12 0.41 1.06 0.57 1.82 -1.38 -1.92 116.42 116.86 2pum h ASP 108 Ca 0.08 0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 2pum h ASP 108 Cb 0.24 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.26 2pum h ASP 108 CO -0.20 0.21 -0.12 0.45 -1.61 0.00 0.00 179.24 177.97 2pum h HIS 109 N 0.55 0.00 0.00 0.28 3.86 -1.08 -0.57 115.15 118.19 2pum h HIS 109 Ca 0.37 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.51 2pum h HIS 109 Cb 0.45 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 2pum h HIS 109 CO -0.12 0.12 -0.33 0.22 0.86 0.00 0.00 177.93 178.68 2pum h ASP 110 N 0.00 0.00 0.03 2.45 1.82 -0.60 -3.38 116.42 116.74 2pum h ASP 110 Ca -0.00 0.00 -0.38 0.00 -0.39 0.00 0.00 57.03 56.26 2pum h ASP 110 Cb 0.69 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.63 2pum h ASP 110 CO 0.02 0.33 -2.38 0.18 -1.61 0.00 0.00 179.24 175.78 2pum n LEU 111 N -3.22 1.94 -3.63 2.28 4.77 -0.60 -4.37 117.00 114.17 2pum n LEU 111 Ca 0.02 -0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.81 2pum n LEU 111 Cb 0.63 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 41.20 2pum n LEU 111 CO 0.38 0.77 0.31 1.51 -1.33 0.00 0.00 177.39 179.03 2pum s ASP 112 N -6.23 -0.60 -0.27 -1.43 -4.77 -0.32 -4.12 116.67 98.93 2pum s ASP 112 Ca -0.25 0.97 -0.03 0.00 -3.30 0.00 0.00 52.55 49.94 2pum s ASP 112 Cb 0.08 0.95 0.16 0.00 -1.09 0.00 0.00 42.92 43.01 2pum s ASP 112 CO 0.70 -0.35 0.50 0.12 0.70 0.00 0.00 175.17 176.84 2pum s PHE 113 N -0.29 -1.22 -0.65 2.11 5.36 -1.26 -4.53 117.98 117.49 2pum s PHE 113 Ca -0.05 1.41 -0.13 0.00 -0.96 0.00 0.00 56.93 57.21 2pum s PHE 113 Cb -0.03 0.35 0.17 0.00 -0.34 0.00 0.00 43.02 43.17 2pum s PHE 113 CO 0.04 -0.77 0.57 0.00 -1.46 0.00 0.00 175.22 173.60 2pum s ALA 114 N 2.72 3.77 0.65 11.12 0.00 -1.26 -0.64 121.76 138.12 2pum s ALA 114 Ca 0.14 -2.93 -0.14 0.00 0.00 0.00 0.00 51.96 49.03 2pum s ALA 114 Cb -0.15 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 2pum s ALA 114 CO -0.18 -2.11 1.08 -1.25 0.00 0.00 0.00 175.76 173.29 2pum s PRO 115 N 0.81 3.00 0.70 0.00 0.04 -1.26 -4.70 135.00 133.59 2pum s PRO 115 Ca 0.11 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 2pum s PRO 115 Cb -0.20 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.36 2pum s PRO 115 CO -0.03 -1.07 1.07 -1.21 0.04 0.00 0.00 177.00 175.80 2pum s GLU 116 N -4.30 2.79 0.00 4.56 2.02 -1.26 -0.63 118.70 121.88 2pum s GLU 116 Ca 0.64 1.09 -0.30 0.00 0.02 0.00 0.00 54.97 56.41 2pum s GLU 116 Cb -0.17 -1.97 -0.06 0.00 0.10 0.00 0.00 34.13 32.03 2pum s GLU 116 CO 0.43 -1.22 1.44 0.95 0.02 0.00 0.00 175.26 176.88 2pum s THR 117 N -2.86 3.63 -0.01 3.63 -4.23 -0.86 -4.48 115.64 110.47 2pum s THR 117 Ca 0.60 1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 62.11 2pum s THR 117 Cb -0.16 -3.65 -0.00 0.00 1.34 0.00 0.00 72.50 70.03 2pum s THR 117 CO 0.51 -0.01 -0.02 -0.62 -0.54 0.00 0.00 174.62 173.94 2pum n GLU 118 N 5.54 0.04 -2.19 3.99 1.02 -1.26 -4.90 120.64 122.88 2pum n GLU 118 Ca 0.14 0.10 -0.03 0.00 -0.02 0.00 0.00 57.16 57.35 2pum n GLU 118 Cb 0.43 -0.65 0.00 0.00 -0.02 0.00 0.00 31.44 31.20 2pum n GLU 118 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2pum n LEU 119 N -2.59 -1.37 0.00 -4.62 4.32 -1.26 -4.75 117.00 106.73 2pum n LEU 119 Ca -0.01 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 2pum n LEU 119 Cb 0.03 -0.81 0.00 0.00 -1.62 0.00 0.00 43.42 41.02 2pum n LEU 119 CO 0.01 -0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.79 2pum n GLY 120 N -0.93 3.91 2.70 -0.72 0.00 -1.26 -4.90 105.19 103.99 2pum n GLY 120 Ca -0.02 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 2pum n GLY 120 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pum n SER 121 N 0.00 7.43 0.09 1.61 2.88 -1.26 -4.40 113.62 119.98 2pum n SER 121 Ca 0.00 -3.65 0.00 0.00 -1.33 0.00 0.00 58.87 53.89 2pum n SER 121 Cb 0.00 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 2pum n SER 121 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2pum n ASN 122 N 0.04 -0.75 -4.75 -3.46 5.15 -1.26 -5.15 115.26 105.08 2pum n ASN 122 Ca 0.51 0.33 -0.42 0.00 -0.60 0.00 0.00 54.58 54.40 2pum n ASN 122 Cb 0.27 0.86 -0.01 0.00 -0.53 0.00 0.00 39.78 40.37 2pum n ASN 122 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2pum n GLU 123 N -3.01 2.60 -1.89 1.20 2.13 -1.26 -4.89 120.64 115.51 2pum n GLU 123 Ca 0.00 0.92 -0.41 0.00 0.66 0.00 0.00 57.16 58.32 2pum n GLU 123 Cb 0.00 -2.64 -0.02 0.00 0.27 0.00 0.00 31.44 29.05 2pum n GLU 123 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2pum n HIS 124 N 1.05 3.48 -0.00 4.31 8.25 -1.26 -2.07 115.22 128.97 2pum n HIS 124 Ca 0.04 -2.59 0.00 0.00 -0.26 0.00 0.00 57.72 54.91 2pum n HIS 124 Cb 0.37 -2.44 0.00 0.00 1.12 0.00 0.00 29.99 29.05 2pum n HIS 124 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2pum n SER 125 N 7.77 0.00 -0.61 0.41 2.88 -1.26 -3.18 113.62 119.62 2pum n SER 125 Ca 0.50 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 58.17 2pum n SER 125 Cb 0.42 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 64.29 2pum n SER 125 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2pum n LYS 126 N 0.00 1.84 0.00 -1.46 5.02 -0.88 -3.62 118.16 119.06 2pum n LYS 126 Ca 0.00 -1.23 0.00 0.00 -2.02 0.00 0.00 58.31 55.06 2pum n LYS 126 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 2pum n LYS 126 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2pum n THR 127 N 0.48 0.00 0.29 -0.18 -1.04 -1.26 -3.80 114.28 108.78 2pum n THR 127 Ca 0.18 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.35 2pum n THR 127 Cb 0.41 -0.51 0.89 0.00 -1.82 0.00 0.00 70.33 69.30 2pum n THR 127 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 2pum h GLN 128 N 0.00 0.00 0.00 -2.82 4.15 -1.71 0.11 115.11 114.84 2pum h GLN 128 Ca 0.00 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.25 2pum h GLN 128 Cb 0.76 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.43 2pum h GLN 128 CO 0.00 0.05 -0.97 0.00 -1.93 0.00 0.00 178.83 175.97 2pum h GLU 130 N -1.00 -0.59 0.16 0.00 4.39 -1.60 -2.81 114.58 113.14 2pum h GLU 130 Ca -0.25 0.04 -0.21 0.00 0.34 0.00 0.00 59.36 59.28 2pum h GLU 130 Cb 1.13 0.13 0.02 0.00 -0.10 0.00 0.00 28.75 29.93 2pum h GLU 130 CO -0.15 -0.39 -0.94 0.93 -1.16 0.00 0.00 179.01 177.30 2pum h GLU 131 N -0.61 0.34 -0.02 2.33 4.39 -1.00 -3.38 114.58 116.63 2pum h GLU 131 Ca 0.03 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.15 2pum h GLU 131 Cb 0.69 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2pum h GLU 131 CO -0.42 1.28 -0.23 0.66 -1.16 0.00 0.00 179.01 179.13 2pum n TYR 132 N -4.05 0.00 -3.48 4.33 4.02 -1.23 -4.96 117.16 111.78 2pum n TYR 132 Ca -0.15 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.49 2pum n TYR 132 Cb 0.87 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.21 2pum n TYR 132 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2pum s ILE 134 N -3.13 4.93 0.21 0.00 1.01 -1.25 -4.91 121.20 118.05 2pum s ILE 134 Ca 0.48 0.41 -0.30 0.00 0.00 0.00 0.00 60.65 61.23 2pum s ILE 134 Cb -0.24 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.08 2pum s ILE 134 CO 0.59 -0.33 1.38 -1.58 0.00 0.00 0.00 174.94 175.00 2pum s GLN 135 N 2.60 4.33 0.00 2.79 0.74 -1.26 -4.75 119.66 124.10 2pum s GLN 135 Ca 0.22 2.17 0.00 0.00 0.05 0.00 0.00 55.36 57.80 2pum s GLN 135 Cb -0.15 -3.16 0.00 0.00 1.10 0.00 0.00 33.01 30.80 2pum s GLN 135 CO 0.15 -0.35 0.00 0.41 -0.55 0.00 0.00 175.29 174.95 2pum n GLY 136 N 2.48 2.90 7.00 2.59 0.00 0.11 -5.01 105.19 115.25 2pum n GLY 136 Ca 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2pum n GLY 136 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pum n ASP 137 N 0.00 0.00 -0.17 1.61 8.00 -1.26 0.44 116.55 125.17 2pum n ASP 137 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 2pum n ASP 137 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.25 2pum n ASP 137 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pum n ASN 138 N 1.60 0.51 -4.66 -2.24 3.02 -1.26 -4.66 115.26 107.57 2pum n ASN 138 Ca 0.00 -1.88 -0.38 0.00 -0.03 0.00 0.00 54.58 52.30 2pum n ASN 138 Cb 0.00 -0.06 -0.08 0.00 -0.61 0.00 0.00 39.78 39.03 2pum n ASN 138 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pum n PHE 140 N 4.45 -1.42 -2.15 0.00 7.35 -0.87 -0.71 117.46 124.10 2pum n PHE 140 Ca -0.11 -2.93 -0.32 0.00 -0.76 0.00 0.00 57.45 53.33 2pum n PHE 140 Cb 0.51 0.33 -0.01 0.00 0.35 0.00 0.00 39.48 40.67 2pum n PHE 140 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2pum s PRO 141 N -0.44 3.65 -0.54 -7.13 0.04 -1.26 -4.57 135.00 124.75 2pum s PRO 141 Ca 0.34 0.98 -0.20 0.00 0.04 0.00 0.00 61.00 62.16 2pum s PRO 141 Cb 0.17 -2.09 0.07 0.00 0.04 0.00 0.00 34.50 32.69 2pum s PRO 141 CO -0.15 -0.52 0.68 0.42 0.04 0.00 0.00 177.00 177.47 2pum s ILE 142 N -2.72 4.80 0.45 0.56 1.01 0.32 -4.90 121.20 120.73 2pum s ILE 142 Ca 0.59 -0.58 -0.23 0.00 0.00 0.00 0.00 60.65 60.44 2pum s ILE 142 Cb -0.12 -4.38 -0.08 0.00 0.01 0.00 0.00 42.46 37.89 2pum s ILE 142 CO 0.39 -0.94 1.12 -0.04 0.00 0.00 0.00 174.94 175.46 2pum s MET 143 N 2.79 3.83 0.04 2.79 -1.94 -1.26 0.73 119.30 126.29 2pum s MET 143 Ca 0.15 1.66 -0.18 0.00 -1.71 0.00 0.00 55.69 55.60 2pum s MET 143 Cb -0.20 -2.38 -0.06 0.00 2.01 0.00 0.00 34.83 34.20 2pum s MET 143 CO 0.11 -0.46 0.54 -0.06 -0.01 0.00 0.00 175.02 175.13 2pum s PHE 144 N -1.63 3.77 0.74 -0.03 2.99 -1.07 -4.59 117.98 118.16 2pum s PHE 144 Ca 0.63 1.20 -0.15 0.00 0.00 0.00 0.00 56.93 58.61 2pum s PHE 144 Cb -0.25 -2.47 0.01 0.00 0.00 0.00 0.00 43.02 40.31 2pum s PHE 144 CO 0.31 0.56 0.89 -2.30 -0.00 0.00 0.00 175.22 174.68 2pum n PRO 145 N 1.90 0.39 -2.35 0.24 -0.02 -1.26 -4.99 135.00 128.91 2pum n PRO 145 Ca -0.11 0.19 -0.40 0.00 -2.02 0.00 0.00 63.50 61.16 2pum n PRO 145 Cb 0.51 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 2pum n PRO 145 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2pum s LYS 146 N -3.34 4.43 0.00 -0.52 -2.85 -1.26 -2.68 119.74 113.53 2pum s LYS 146 Ca 0.71 1.90 0.00 0.00 -1.00 0.00 0.00 55.97 57.58 2pum s LYS 146 Cb -0.33 -3.03 0.00 0.00 -2.06 0.00 0.00 37.83 32.41 2pum s LYS 146 CO 0.53 -0.01 0.00 0.09 0.10 0.00 0.00 175.35 176.06 2pum n ASN 147 N 0.81 0.00 -4.65 0.03 4.13 -1.26 -5.03 115.26 109.30 2pum n ASN 147 Ca 0.00 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.84 2pum n ASN 147 Cb 0.45 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.66 2pum n ASN 147 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2pum s ASP 148 N -3.02 6.84 0.35 6.41 -1.08 -1.09 -4.92 116.67 120.17 2pum s ASP 148 Ca 0.00 1.46 0.15 0.00 -0.52 0.00 0.00 52.55 53.64 2pum s ASP 148 Cb 0.00 -2.54 1.07 0.00 -1.46 0.00 0.00 42.92 39.99 2pum s ASP 148 CO 0.00 -0.89 1.70 -0.65 0.52 0.00 0.00 175.17 175.84 2pum h PRO 149 N 8.62 0.37 -0.03 4.34 0.11 -1.96 -2.52 132.00 140.94 2pum h PRO 149 Ca -0.26 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.84 2pum h PRO 149 Cb 1.10 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 2pum h PRO 149 CO 1.00 0.25 0.21 0.87 -0.21 0.00 0.00 178.00 180.11 2pum h LYS 150 N 0.39 0.00 -0.25 1.05 1.79 -1.95 0.75 116.57 118.35 2pum h LYS 150 Ca 0.70 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.17 2pum h LYS 150 Cb 1.61 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.25 2pum h LYS 150 CO -0.50 0.00 0.16 -0.07 -1.08 0.00 0.00 179.45 177.96 2pum h LEU 151 N 0.00 0.30 -1.42 2.94 3.38 -1.61 0.69 115.31 119.59 2pum h LEU 151 Ca 0.01 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2pum h LEU 151 Cb 0.43 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2pum h LEU 151 CO -0.00 0.24 -0.29 0.11 0.09 0.00 0.00 178.44 178.59 2pum h LYS 152 N 0.33 0.00 0.00 1.13 1.57 -1.02 -3.33 116.57 115.24 2pum h LYS 152 Ca 0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2pum h LYS 152 Cb -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 2pum h LYS 152 CO -0.02 0.29 -1.22 2.41 -0.57 0.00 0.00 179.45 180.34 2pum n THR 153 N -3.92 0.01 0.00 -0.16 -1.04 -1.01 -4.86 114.28 103.30 2pum n THR 153 Ca -0.02 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 2pum n THR 153 Cb 0.36 0.37 0.00 0.00 -1.82 0.00 0.00 70.33 69.24 2pum n THR 153 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pum n GLN 154 N -1.68 0.08 0.00 -2.82 6.02 0.24 -5.08 117.38 114.15 2pum n GLN 154 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2pum n GLN 154 Cb 0.14 -0.95 0.00 0.00 1.02 0.00 0.00 30.24 30.45 2pum n GLN 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pum n GLY 155 N 3.29 0.14 0.00 1.08 0.00 -1.06 -4.95 105.19 103.69 2pum n GLY 155 Ca 0.00 -1.07 0.06 0.00 0.00 0.00 0.00 46.02 45.01 2pum n GLY 155 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pum n LYS 156 N 0.00 1.42 -3.81 1.61 4.76 -1.26 -4.17 118.16 116.71 2pum n LYS 156 Ca 0.00 -0.07 -0.05 0.00 -2.87 0.00 0.00 58.31 55.32 2pum n LYS 156 Cb 0.00 -1.20 -0.01 0.00 -1.84 0.00 0.00 35.03 31.98 2pum n LYS 156 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pum s MET 158 N -3.39 3.48 0.42 0.00 -1.94 0.23 -4.92 119.30 113.17 2pum s MET 158 Ca 0.13 -0.46 -0.26 0.00 -1.71 0.00 0.00 55.69 53.39 2pum s MET 158 Cb -0.04 -2.91 -0.09 0.00 2.01 0.00 0.00 34.83 33.80 2pum s MET 158 CO 0.05 0.40 1.46 -1.25 -0.01 0.00 0.00 175.02 175.67 2pum s PRO 159 N -0.06 3.83 -0.20 2.03 0.04 -1.26 -0.52 135.00 138.87 2pum s PRO 159 Ca 0.03 2.50 -0.19 0.00 0.04 0.00 0.00 61.00 63.38 2pum s PRO 159 Cb -0.13 -2.77 0.05 0.00 0.04 0.00 0.00 34.50 31.69 2pum s PRO 159 CO 0.02 -0.73 0.54 0.12 0.04 0.00 0.00 177.00 176.99 2pum s PHE 160 N -1.17 -0.59 -0.04 0.56 2.19 -1.26 -4.82 117.98 112.85 2pum s PHE 160 Ca 0.58 1.42 0.04 0.00 0.33 0.00 0.00 56.93 59.30 2pum s PHE 160 Cb -0.45 0.20 -0.00 0.00 -1.31 0.00 0.00 43.02 41.46 2pum s PHE 160 CO 0.59 -0.29 -0.16 -0.06 1.83 0.00 0.00 175.22 177.13 2pum s PHE 161 N 0.23 1.61 0.53 10.12 0.40 -1.26 -2.05 117.98 127.56 2pum s PHE 161 Ca -0.00 -0.46 -0.22 0.00 -0.60 0.00 0.00 56.93 55.64 2pum s PHE 161 Cb -0.04 -1.10 -0.05 0.00 0.51 0.00 0.00 43.02 42.34 2pum s PHE 161 CO 0.01 -0.16 1.31 1.03 0.70 0.00 0.00 175.22 178.11 2pum s ARG 162 N 0.08 3.28 0.75 0.44 0.52 -0.58 -4.71 118.95 118.73 2pum s ARG 162 Ca -0.04 2.12 -0.12 0.00 -0.52 0.00 0.00 55.73 57.17 2pum s ARG 162 Cb -0.11 -2.28 0.05 0.00 0.52 0.00 0.00 34.95 33.12 2pum s ARG 162 CO 0.02 -1.04 1.11 0.00 0.02 0.00 0.00 175.30 175.41 2pum s ALA 163 N -1.37 2.24 0.60 2.13 0.00 -1.26 -2.02 121.76 122.09 2pum s ALA 163 Ca 0.70 0.42 -0.18 0.00 0.00 0.00 0.00 51.96 52.90 2pum s ALA 163 Cb -0.37 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 2pum s ALA 163 CO 0.44 -1.71 1.16 0.20 0.00 0.00 0.00 175.76 175.85 2pum s GLY 164 N -3.00 2.54 0.12 0.00 0.00 0.20 -4.51 107.32 102.66 2pum s GLY 164 Ca 0.64 0.83 0.04 0.00 0.00 0.00 0.00 44.72 46.23 2pum s GLY 164 CO 0.51 1.20 -0.11 -0.11 0.00 0.00 0.00 173.10 174.59 2pum s PHE 165 N -1.86 1.20 0.89 1.90 -0.71 -1.26 -1.81 117.98 116.34 2pum s PHE 165 Ca 0.73 -0.68 -0.11 0.00 -1.04 0.00 0.00 56.93 55.83 2pum s PHE 165 Cb -0.26 -0.63 0.13 0.00 -1.21 0.00 0.00 43.02 41.05 2pum s PHE 165 CO 0.34 0.06 1.09 0.14 -1.34 0.00 0.00 175.22 175.51 2pum s VAL 166 N -2.74 2.69 0.00 -2.49 -7.23 -0.04 -4.33 120.40 106.25 2pum s VAL 166 Ca 0.11 0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 2pum s VAL 166 Cb -0.01 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.23 2pum s VAL 166 CO 0.01 -0.29 0.00 0.00 -0.31 0.00 0.00 175.10 174.51 2pum n PRO 168 N 13.26 3.00 0.00 0.00 -0.02 -1.26 -4.36 135.00 145.62 2pum n PRO 168 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2pum n PRO 168 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2pum n PRO 168 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2pum n THR 169 N 0.00 0.00 -1.12 3.45 -2.24 -1.26 -4.70 114.28 108.41 2pum n THR 169 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 2pum n THR 169 Cb 0.00 -0.05 0.10 0.00 -2.10 0.00 0.00 70.33 68.28 2pum n THR 169 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2pum n PRO 170 N -2.38 0.16 -1.51 -0.78 -0.02 -1.26 -4.84 135.00 124.37 2pum n PRO 170 Ca 0.00 0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 61.18 2pum n PRO 170 Cb 0.00 -2.11 -0.08 0.00 -0.02 0.00 0.00 33.50 31.29 2pum n PRO 170 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2pum n PRO 171 N -2.03 0.72 -2.72 0.52 -0.02 -1.26 -4.87 135.00 125.34 2pum n PRO 171 Ca 0.11 0.06 -0.34 0.00 -2.02 0.00 0.00 63.50 61.31 2pum n PRO 171 Cb 0.51 -2.60 -0.06 0.00 -0.02 0.00 0.00 33.50 31.33 2pum n PRO 171 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2pum s TYR 172 N 10.10 3.30 0.00 6.00 5.04 -1.26 -5.03 117.35 135.50 2pum s TYR 172 Ca 1.13 1.63 0.00 0.00 -2.44 0.00 0.00 57.07 57.39 2pum s TYR 172 Cb -0.68 -2.94 0.00 0.00 0.35 0.00 0.00 41.96 38.69 2pum s TYR 172 CO 0.39 -0.27 0.10 1.04 -1.34 0.00 0.00 175.55 175.46 2pum n GLN 173 N -0.46 0.00 -3.69 4.97 6.02 -1.26 -4.96 117.38 118.00 2pum n GLN 173 Ca 0.06 0.22 -0.12 0.00 -0.01 0.00 0.00 57.00 57.15 2pum n GLN 173 Cb 0.53 -0.79 -0.09 0.00 1.02 0.00 0.00 30.24 30.91 2pum n GLN 173 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2pum s SER 174 N -1.90 -0.57 0.01 1.08 0.15 -1.26 -4.97 113.70 106.24 2pum s SER 174 Ca 0.00 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.71 2pum s SER 174 Cb 0.00 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 2pum s SER 174 CO 0.00 -0.19 0.00 -0.11 1.20 0.00 0.00 173.24 174.14 2pum n LEU 175 N 3.27 -0.10 0.00 3.45 0.00 -1.26 -5.12 117.00 117.23 2pum n LEU 175 Ca -0.16 0.08 0.00 0.00 0.00 0.00 0.00 56.01 55.92 2pum n LEU 175 Cb 0.56 0.22 0.00 0.00 0.00 0.00 0.00 43.42 44.21 2pum n LEU 175 CO 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 177.39 177.40 2pum n ALA 176 N -1.86 0.00 -2.09 1.96 0.00 -1.26 -5.00 120.51 112.26 2pum n ALA 176 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2pum n ALA 176 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2pum n ALA 176 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2pum s ARG 177 N -0.72 4.26 -0.08 0.00 3.52 0.88 -5.02 118.95 121.78 2pum s ARG 177 Ca 0.00 2.14 0.05 0.00 -0.13 0.00 0.00 55.73 57.79 2pum s ARG 177 Cb 0.00 -3.49 -0.00 0.00 -1.56 0.00 0.00 34.95 29.90 2pum s ARG 177 CO 0.00 -0.61 -0.24 -1.21 -0.81 0.00 0.00 175.30 172.43 2pum s GLU 178 N 2.13 2.85 0.35 5.12 0.41 -1.26 -4.97 118.70 123.34 2pum s GLU 178 Ca 0.68 -0.88 -0.23 0.00 -0.41 0.00 0.00 54.97 54.12 2pum s GLU 178 Cb -0.36 -2.23 -0.10 0.00 -1.78 0.00 0.00 34.13 29.65 2pum s GLU 178 CO 0.30 0.24 0.92 -0.65 -0.49 0.00 0.00 175.26 175.58 2pum s GLN 179 N 0.18 4.42 0.34 1.61 1.11 -1.26 -0.86 119.66 125.19 2pum s GLN 179 Ca -0.14 1.20 -0.24 0.00 0.01 0.00 0.00 55.36 56.19 2pum s GLN 179 Cb -0.17 -2.58 -0.10 0.00 -1.01 0.00 0.00 33.01 29.16 2pum s GLN 179 CO 0.07 0.18 0.92 0.42 0.01 0.00 0.00 175.29 176.89 2pum s ILE 180 N -1.82 4.29 -0.24 1.08 1.01 -0.75 -1.64 121.20 123.13 2pum s ILE 180 Ca 0.54 1.69 -0.08 0.00 0.00 0.00 0.00 60.65 62.80 2pum s ILE 180 Cb -0.15 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 2pum s ILE 180 CO 0.20 0.04 0.08 0.21 0.00 0.00 0.00 174.94 175.46 2pum s ASN 181 N -1.76 5.27 -0.01 3.58 3.84 0.16 -4.17 114.94 121.85 2pum s ASN 181 Ca 0.52 -0.15 0.14 0.00 0.21 0.00 0.00 52.86 53.58 2pum s ASN 181 Cb -0.16 -1.94 0.41 0.00 -0.55 0.00 0.00 41.25 39.01 2pum s ASN 181 CO 0.21 -0.00 1.33 0.00 -2.79 0.00 0.00 177.10 175.85 2pum n ALA 182 N 4.72 2.48 -2.30 1.71 0.00 0.18 -0.09 120.51 127.22 2pum n ALA 182 Ca -0.16 -0.82 -0.18 0.00 0.00 0.00 0.00 53.44 52.27 2pum n ALA 182 Cb 0.52 -0.97 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 2pum n ALA 182 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2pum s VAL 183 N -1.43 0.14 -0.00 0.00 -7.23 -1.26 -4.28 120.40 106.34 2pum s VAL 183 Ca 0.31 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.26 2pum s VAL 183 Cb 0.16 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 2pum s VAL 183 CO 0.20 0.00 0.65 0.42 -0.31 0.00 0.00 175.10 176.06 2pum s THR 184 N -3.61 4.89 0.48 5.32 -4.23 -1.26 -3.66 115.64 113.57 2pum s THR 184 Ca 0.38 1.36 0.39 0.00 -1.18 0.00 0.00 61.69 62.63 2pum s THR 184 Cb 0.04 -3.99 0.41 0.00 1.34 0.00 0.00 72.50 70.30 2pum s THR 184 CO 0.21 0.38 2.23 0.28 -0.54 0.00 0.00 174.62 177.18 2pum h SER 185 N 5.81 0.00 -3.58 3.99 0.02 -1.60 -3.39 113.55 114.79 2pum h SER 185 Ca -0.44 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.99 2pum h SER 185 Cb 1.20 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 2pum h SER 185 CO 0.71 0.02 0.31 -0.36 -1.14 0.00 0.00 176.83 176.36 2pum s PHE 186 N -4.06 3.84 -1.00 3.45 0.08 -1.26 -4.82 117.98 114.22 2pum s PHE 186 Ca -0.03 1.76 -0.24 0.00 0.12 0.00 0.00 56.93 58.54 2pum s PHE 186 Cb 0.12 -2.98 -0.06 0.00 -0.57 0.00 0.00 43.02 39.54 2pum s PHE 186 CO 0.48 0.29 1.93 -1.17 -0.10 0.00 0.00 175.22 176.65 2pum s LEU 187 N -0.34 3.15 -0.03 -0.37 2.96 -1.26 -4.65 118.68 118.14 2pum s LEU 187 Ca 0.43 -1.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.36 2pum s LEU 187 Cb -0.23 -2.57 0.06 0.00 0.50 0.00 0.00 46.19 43.95 2pum s LEU 187 CO 0.29 -2.80 0.88 -0.90 -1.32 0.00 0.00 176.35 172.50 2pum n ASP 188 N 13.91 1.02 -1.50 3.68 5.75 -1.26 -4.70 116.55 133.45 2pum n ASP 188 Ca 0.42 -1.93 -0.13 0.00 -0.01 0.00 0.00 54.79 53.14 2pum n ASP 188 Cb 0.47 -0.14 -0.00 0.00 -1.03 0.00 0.00 41.12 40.42 2pum n ASP 188 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pum n ALA 189 N -0.43 -0.40 0.43 2.12 0.00 -1.26 -4.60 120.51 116.36 2pum n ALA 189 Ca 0.03 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.66 2pum n ALA 189 Cb 0.51 -1.67 0.31 0.00 0.00 0.00 0.00 19.45 18.59 2pum n ALA 189 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2pum n SER 190 N -0.46 0.10 0.17 0.00 3.41 -1.26 -1.63 113.62 113.95 2pum n SER 190 Ca -0.14 0.53 0.10 0.00 -0.26 0.00 0.00 58.87 59.10 2pum n SER 190 Cb 0.61 -0.55 0.10 0.00 -0.26 0.00 0.00 64.21 64.11 2pum n SER 190 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 2pum h LEU 191 N 0.00 0.00 0.05 1.04 -0.00 -1.85 -0.79 115.31 113.76 2pum h LEU 191 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 57.60 2pum h LEU 191 Cb 0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.87 2pum h LEU 191 CO 0.00 0.07 -1.50 0.58 -0.00 0.00 0.00 178.44 177.59 2pum h VAL 192 N 0.00 0.84 0.00 0.15 2.07 -1.61 -1.77 116.25 115.92 2pum h VAL 192 Ca -0.01 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.26 2pum h VAL 192 Cb 1.06 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 2pum h VAL 192 CO 0.01 0.53 -0.94 1.88 0.02 0.00 0.00 177.57 179.06 2pum h TYR 193 N -0.60 0.00 0.00 1.57 0.05 -1.45 -3.17 116.97 113.36 2pum h TYR 193 Ca -0.37 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.41 2pum h TYR 193 Cb 1.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.31 2pum h TYR 193 CO 0.09 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.61 2pum n GLY 194 N 1.20 2.26 0.39 3.88 0.00 -0.30 -4.09 105.19 108.53 2pum n GLY 194 Ca 0.00 -1.87 0.05 0.00 0.00 0.00 0.00 46.02 44.20 2pum n GLY 194 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pum n SER 195 N 0.00 1.83 -4.35 1.61 7.64 -1.26 -4.77 113.62 114.33 2pum n SER 195 Ca 0.00 -1.42 -0.27 0.00 1.01 0.00 0.00 58.87 58.19 2pum n SER 195 Cb 0.00 -0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 2pum n SER 195 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2pum s GLU 196 N -0.81 1.33 0.00 1.43 2.02 -1.26 -3.88 118.70 117.53 2pum s GLU 196 Ca 0.11 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 53.85 2pum s GLU 196 Cb 0.08 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.59 2pum s GLU 196 CO 0.12 0.41 0.00 -2.30 0.02 0.00 0.00 175.26 173.51 2pum n PRO 197 N 1.06 0.00 0.00 0.39 -0.02 -1.26 -0.37 135.00 134.80 2pum n PRO 197 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2pum n PRO 197 Cb 0.53 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 2pum n PRO 197 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2pum n LEU 199 N 0.40 0.00 -0.33 2.45 7.94 -1.26 -3.94 117.00 122.27 2pum n LEU 199 Ca 0.00 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.05 2pum n LEU 199 Cb 0.00 0.00 0.34 0.00 0.53 0.00 0.00 43.42 44.29 2pum n LEU 199 CO 0.00 0.00 1.12 0.00 -1.11 0.00 0.00 177.39 177.40 2pum h ALA 200 N 0.00 1.62 -0.17 1.96 0.00 -0.85 0.74 119.26 122.56 2pum h ALA 200 Ca 0.00 0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 2pum h ALA 200 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2pum h ALA 200 CO 0.00 -0.25 -0.52 1.03 0.00 0.00 0.00 179.25 179.51 2pum h SER 201 N 0.55 0.75 0.20 0.00 0.87 -1.79 -3.11 113.55 111.03 2pum h SER 201 Ca 0.59 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2pum h SER 201 Cb 1.08 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 2pum h SER 201 CO -0.47 1.22 0.00 -0.09 -0.53 0.00 0.00 176.83 176.96 2pum h ARG 202 N 0.33 0.00 0.00 2.24 2.43 -1.20 -0.96 114.38 117.22 2pum h ARG 202 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2pum h ARG 202 Cb 1.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2pum h ARG 202 CO 0.11 0.00 -0.66 -0.07 -1.51 0.00 0.00 179.97 177.84 2pum h LEU 203 N 0.00 0.00-10.27 3.80 4.07 -1.34 -3.47 115.31 108.10 2pum h LEU 203 Ca 0.00 -0.02 -0.50 0.00 0.08 0.00 0.00 57.88 57.44 2pum h LEU 203 Cb 0.10 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.87 2pum h LEU 203 CO 0.00 0.01 0.23 -0.13 -1.08 0.00 0.00 178.44 177.47 2pum s ARG 204 N -3.30 3.66 -0.61 1.13 0.52 -0.36 -1.32 118.95 118.67 2pum s ARG 204 Ca 0.02 0.50 -0.17 0.00 -0.52 0.00 0.00 55.73 55.57 2pum s ARG 204 Cb 0.09 -2.27 0.13 0.00 0.52 0.00 0.00 34.95 33.42 2pum s ARG 204 CO 0.75 -0.28 0.64 1.21 0.02 0.00 0.00 175.30 177.64 2pum s ASN 205 N -3.79 6.27 -0.37 0.23 3.84 0.02 -4.44 114.94 116.71 2pum s ASN 205 Ca 0.52 -1.76 0.07 0.00 0.21 0.00 0.00 52.86 51.90 2pum s ASN 205 Cb -0.10 -2.26 0.67 0.00 -0.55 0.00 0.00 41.25 39.01 2pum s ASN 205 CO 0.43 -0.94 1.79 0.18 -2.79 0.00 0.00 177.10 175.77 2pum n LEU 206 N 5.60 6.00 -0.11 3.21 4.77 -1.26 -4.24 117.00 130.97 2pum n LEU 206 Ca -0.07 -3.48 -0.22 0.00 -0.03 0.00 0.00 56.01 52.21 2pum n LEU 206 Cb 0.42 -0.76 -0.09 0.00 -2.33 0.00 0.00 43.42 40.66 2pum n LEU 206 CO 0.53 0.98 -0.91 -1.20 -1.33 0.00 0.00 177.39 175.46 2pum n SER 207 N -0.77 1.90 -4.84 -1.43 7.64 -1.26 -4.87 113.62 110.00 2pum n SER 207 Ca 0.48 0.40 -0.36 0.00 1.01 0.00 0.00 58.87 60.40 2pum n SER 207 Cb 1.45 -0.87 -0.06 0.00 -1.01 0.00 0.00 64.21 63.71 2pum n SER 207 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2pum s SER 208 N -6.93 6.87 -1.04 6.43 1.04 -1.26 -5.01 113.70 113.80 2pum s SER 208 Ca -0.32 1.11 -0.01 0.00 0.48 0.00 0.00 55.95 57.21 2pum s SER 208 Cb 0.09 -2.30 0.31 0.00 0.10 0.00 0.00 66.02 64.22 2pum s SER 208 CO 0.50 0.13 1.80 -0.81 0.98 0.00 0.00 173.24 175.84 2pum n PRO 209 N 0.94 5.33 -0.04 4.02 -0.04 -1.26 -4.34 135.00 139.60 2pum n PRO 209 Ca -0.06 -4.63 0.03 0.00 -0.04 0.00 0.00 63.50 58.80 2pum n PRO 209 Cb 0.52 -2.48 0.05 0.00 -0.04 0.00 0.00 33.50 31.54 2pum n PRO 209 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pum n LEU 210 N 0.15 1.95 -1.98 1.53 4.77 -1.26 -3.80 117.00 118.35 2pum n LEU 210 Ca 0.45 -1.51 -0.15 0.00 -0.03 0.00 0.00 56.01 54.76 2pum n LEU 210 Cb 0.27 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 2pum n LEU 210 CO 0.55 0.46 -0.08 0.61 -1.33 0.00 0.00 177.39 177.60 2pum n GLY 211 N 0.13 -0.20 3.90 -0.72 0.00 -1.24 -4.72 105.19 102.34 2pum n GLY 211 Ca 0.04 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 2pum n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pum s LEU 212 N -4.61 3.73 0.32 0.99 1.43 -1.26 -4.12 118.68 115.16 2pum s LEU 212 Ca 0.12 0.94 -0.08 0.00 -1.03 0.00 0.00 54.13 54.08 2pum s LEU 212 Cb -0.05 -3.86 -0.06 0.00 0.03 0.00 0.00 46.19 42.24 2pum s LEU 212 CO 0.15 -0.49 0.64 -0.04 0.23 0.00 0.00 176.35 176.84 2pum s MET 213 N -4.39 3.73 0.38 1.70 -1.94 -1.26 -0.79 119.30 116.73 2pum s MET 213 Ca 0.48 0.25 -0.26 0.00 -1.71 0.00 0.00 55.69 54.45 2pum s MET 213 Cb -0.10 -2.54 -0.09 0.00 2.01 0.00 0.00 34.83 34.11 2pum s MET 213 CO 0.40 0.14 1.15 0.00 -0.01 0.00 0.00 175.02 176.69 2pum s ALA 214 N -2.14 3.20 0.27 3.03 0.00 -0.43 -4.50 121.76 121.19 2pum s ALA 214 Ca 0.48 0.93 0.08 0.00 0.00 0.00 0.00 51.96 53.44 2pum s ALA 214 Cb -0.11 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 2pum s ALA 214 CO 0.28 -0.43 -0.09 0.14 0.00 0.00 0.00 175.76 175.66 2pum s VAL 215 N -1.40 1.79 0.41 0.00 -7.23 -1.26 -4.43 120.40 108.28 2pum s VAL 215 Ca 0.55 -2.17 -0.26 0.00 -1.81 0.00 0.00 61.98 58.29 2pum s VAL 215 Cb -0.30 -2.39 -0.10 0.00 0.56 0.00 0.00 36.38 34.15 2pum s VAL 215 CO 0.38 -0.34 1.38 -3.20 -0.31 0.00 0.00 175.10 173.00 2pum n ASN 216 N -0.58 3.12 -0.00 4.85 2.85 -0.85 -4.57 115.26 120.08 2pum n ASN 216 Ca -0.06 1.15 0.03 0.00 -0.11 0.00 0.00 54.58 55.60 2pum n ASN 216 Cb 0.63 -1.56 -0.05 0.00 1.24 0.00 0.00 39.78 40.04 2pum n ASN 216 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2pum n GLN 217 N 0.11 1.23 0.04 1.20 1.13 -1.26 -4.55 117.38 115.27 2pum n GLN 217 Ca 0.05 -0.05 0.12 0.00 -1.94 0.00 0.00 57.00 55.18 2pum n GLN 217 Cb 0.40 -1.08 0.21 0.00 0.11 0.00 0.00 30.24 29.87 2pum n GLN 217 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2pum n GLU 218 N -1.61 0.18 -3.54 -1.09 4.71 -1.26 -4.96 120.64 113.07 2pum n GLU 218 Ca -0.01 0.05 -0.17 0.00 -0.01 0.00 0.00 57.16 57.02 2pum n GLU 218 Cb 0.16 -1.61 -0.06 0.00 -1.01 0.00 0.00 31.44 28.92 2pum n GLU 218 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2pum s ALA 219 N -3.10 -1.78 0.16 0.62 0.00 -1.26 -5.18 121.76 111.21 2pum s ALA 219 Ca 0.08 1.42 0.05 0.00 0.00 0.00 0.00 51.96 53.52 2pum s ALA 219 Cb 0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 2pum s ALA 219 CO 0.71 -0.36 -0.11 -1.58 0.00 0.00 0.00 175.76 174.41 2pum s TRP 220 N -0.97 1.37 -0.50 0.00 0.52 -1.26 -4.53 118.94 113.57 2pum s TRP 220 Ca -0.09 -0.71 0.03 0.00 0.02 0.00 0.00 56.10 55.35 2pum s TRP 220 Cb -0.01 -0.68 0.13 0.00 -1.15 0.00 0.00 33.47 31.77 2pum s TRP 220 CO 0.08 0.15 0.27 0.34 0.02 0.00 0.00 176.95 177.81 2pum s ASP 221 N -3.19 4.07 -1.20 2.95 2.15 -0.25 -4.75 116.67 116.45 2pum s ASP 221 Ca 0.18 -2.92 -0.33 0.00 0.43 0.00 0.00 52.55 49.90 2pum s ASP 221 Cb 0.02 -1.41 0.04 0.00 -0.30 0.00 0.00 42.92 41.27 2pum s ASP 221 CO 0.02 -0.24 0.70 1.41 -0.17 0.00 0.00 175.17 176.89 2pum n HIS 222 N 3.20 -1.45 -1.64 -5.34 8.25 -1.26 0.36 115.22 117.34 2pum n HIS 222 Ca 0.07 0.11 -0.21 0.00 -0.26 0.00 0.00 57.72 57.43 2pum n HIS 222 Cb 0.33 -2.85 -0.09 0.00 1.12 0.00 0.00 29.99 28.50 2pum n HIS 222 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pum n GLY 223 N -2.05 1.91 3.69 -1.41 0.00 -1.26 -4.99 105.19 101.08 2pum n GLY 223 Ca -0.11 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 2pum n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pum s LEU 224 N -4.81 3.42 0.58 0.99 1.43 0.16 -5.11 118.68 115.34 2pum s LEU 224 Ca 0.00 -0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 52.60 2pum s LEU 224 Cb 0.00 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 2pum s LEU 224 CO 0.00 0.11 1.24 0.00 0.23 0.00 0.00 176.35 177.93 2pum s ALA 225 N -1.62 2.61 0.32 4.21 0.00 -1.26 -1.09 121.76 124.92 2pum s ALA 225 Ca 0.27 1.08 0.10 0.00 0.00 0.00 0.00 51.96 53.42 2pum s ALA 225 Cb -0.10 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.48 2pum s ALA 225 CO 0.19 -1.21 -0.12 0.71 0.00 0.00 0.00 175.76 175.34 2pum s TYR 226 N -1.51 2.31 0.53 0.00 4.12 -1.26 -4.77 117.35 116.77 2pum s TYR 226 Ca 0.76 -0.47 -0.20 0.00 0.02 0.00 0.00 57.07 57.17 2pum s TYR 226 Cb -0.33 -1.24 -0.06 0.00 -1.52 0.00 0.00 41.96 38.81 2pum s TYR 226 CO 0.36 0.59 1.14 -0.51 0.02 0.00 0.00 175.55 177.15 2pum s LEU 227 N -3.56 3.81 0.55 -1.29 1.43 -1.26 -2.00 118.68 116.36 2pum s LEU 227 Ca 0.31 2.22 -0.20 0.00 -1.03 0.00 0.00 54.13 55.43 2pum s LEU 227 Cb 0.01 -4.50 -0.06 0.00 0.03 0.00 0.00 46.19 41.66 2pum s LEU 227 CO 0.15 -1.17 1.03 -0.81 0.23 0.00 0.00 176.35 175.79 2pum n PRO 228 N -1.12 1.12 -2.41 1.29 -0.04 -1.26 -3.91 135.00 128.67 2pum n PRO 228 Ca 0.11 0.42 -0.34 0.00 -0.04 0.00 0.00 63.50 63.64 2pum n PRO 228 Cb 0.50 -2.20 -0.02 0.00 -0.04 0.00 0.00 33.50 31.74 2pum n PRO 228 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2pum s PHE 229 N -1.43 2.84 0.09 0.54 0.08 -1.26 -0.02 117.98 118.82 2pum s PHE 229 Ca 0.72 1.56 -0.29 0.00 0.12 0.00 0.00 56.93 59.05 2pum s PHE 229 Cb -0.45 -3.17 -0.06 0.00 -0.57 0.00 0.00 43.02 38.77 2pum s PHE 229 CO 0.50 -1.18 0.91 1.21 -0.10 0.00 0.00 175.22 176.56 2pum s ASN 230 N -1.88 7.43 0.23 1.36 2.47 -0.02 -4.32 114.94 120.20 2pum s ASN 230 Ca 0.70 1.71 -0.13 0.00 0.42 0.00 0.00 52.86 55.56 2pum s ASN 230 Cb -0.20 -2.56 0.28 0.00 -1.45 0.00 0.00 41.25 37.33 2pum s ASN 230 CO 0.23 -0.05 1.60 -1.13 -3.72 0.00 0.00 177.10 174.04 2pum h ASN 231 N 5.60 -0.74 -2.39 -4.21 -0.73 -1.95 -3.45 115.58 107.71 2pum h ASN 231 Ca -0.43 0.22 -0.55 0.00 1.87 0.00 0.00 56.30 57.41 2pum h ASN 231 Cb 1.21 0.47 -0.02 0.00 0.27 0.00 0.00 38.32 40.25 2pum h ASN 231 CO 0.72 -0.25 1.34 -0.75 -0.37 0.00 0.00 177.43 178.11 2pum s LYS 232 N -6.21 3.08 -0.04 6.67 2.20 -1.26 -5.02 119.74 119.15 2pum s LYS 232 Ca -0.14 1.30 -0.07 0.00 -0.36 0.00 0.00 55.97 56.70 2pum s LYS 232 Cb 0.21 -4.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.21 2pum s LYS 232 CO 0.74 -2.16 0.23 0.15 -0.36 0.00 0.00 175.35 173.94 2pum s LYS 233 N 6.19 3.55 0.39 4.03 1.02 -1.26 -3.80 119.74 129.86 2pum s LYS 233 Ca 0.80 -0.07 -0.26 0.00 0.02 0.00 0.00 55.97 56.47 2pum s LYS 233 Cb -0.21 -3.14 -0.09 0.00 -0.52 0.00 0.00 37.83 33.88 2pum s LYS 233 CO 0.30 0.71 1.21 -1.25 -0.92 0.00 0.00 175.35 175.40 2pum s PRO 234 N -1.42 4.07 -0.14 -1.68 0.04 -1.26 -5.17 135.00 129.44 2pum s PRO 234 Ca 0.22 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.23 2pum s PRO 234 Cb -0.13 -2.74 0.01 0.00 0.04 0.00 0.00 34.50 31.68 2pum s PRO 234 CO 0.11 -0.34 -0.21 0.45 0.04 0.00 0.00 177.00 177.06 2pum s SER 235 N -0.98 3.04 0.41 6.66 0.15 -1.25 -5.00 113.70 116.73 2pum s SER 235 Ca 0.56 -0.59 0.20 0.00 0.70 0.00 0.00 55.95 56.81 2pum s SER 235 Cb -0.33 -1.41 0.88 0.00 -1.71 0.00 0.00 66.02 63.45 2pum s SER 235 CO 0.42 0.06 1.84 -0.65 1.20 0.00 0.00 173.24 176.11 2pum h PRO 236 N 7.44 0.00 0.00 5.44 0.11 -1.90 -1.07 132.00 142.02 2pum h PRO 236 Ca -0.35 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 2pum h PRO 236 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2pum h PRO 236 CO 0.56 0.31 -0.20 0.00 -0.21 0.00 0.00 178.00 178.45 2pum h GLU 238 N 0.00 0.19 -0.35 0.00 5.08 -1.25 -3.35 114.58 114.91 2pum h GLU 238 Ca -0.00 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 57.95 2pum h GLU 238 Cb 0.76 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2pum h GLU 238 CO 0.03 1.12 -0.19 0.35 -1.00 0.00 0.00 179.01 179.31 2pum h PHE 239 N 0.06 0.86 0.00 4.33 3.57 -0.40 -3.20 116.94 122.16 2pum h PHE 239 Ca -0.09 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.19 2pum h PHE 239 Cb 1.84 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 40.38 2pum h PHE 239 CO 0.04 0.95 -0.00 -0.84 -2.23 0.00 0.00 178.31 176.23 2pum h ILE 240 N 0.52 0.05 -1.52 1.41 -0.00 -1.57 -3.35 117.51 113.04 2pum h ILE 240 Ca 0.07 -0.10 -0.09 0.00 -0.00 0.00 0.00 64.86 64.75 2pum h ILE 240 Cb 0.74 1.09 -0.26 0.00 -0.00 0.00 0.00 36.82 38.39 2pum h ILE 240 CO 0.06 0.00 -0.44 0.21 -0.00 0.00 0.00 178.15 177.97 2pum s ASN 241 N -5.32 -0.30 0.00 2.16 3.84 -1.22 -5.02 114.94 109.08 2pum s ASN 241 Ca -0.04 0.13 0.27 0.00 0.21 0.00 0.00 52.86 53.43 2pum s ASN 241 Cb 0.12 1.45 0.94 0.00 -0.55 0.00 0.00 41.25 43.22 2pum s ASN 241 CO 0.44 -0.31 1.68 0.35 -2.79 0.00 0.00 177.10 176.47 2pum n THR 242 N 5.38 0.00 -0.08 -5.21 -2.24 -1.21 -2.45 114.28 108.47 2pum n THR 242 Ca -0.00 -0.11 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 2pum n THR 242 Cb 0.51 0.21 -0.11 0.00 -2.10 0.00 0.00 70.33 68.84 2pum n THR 242 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2pum h THR 243 N 0.99 1.35 -0.30 4.28 2.02 -1.95 -3.34 112.91 115.98 2pum h THR 243 Ca 0.00 -2.14 -0.06 0.00 0.77 0.00 0.00 66.41 64.98 2pum h THR 243 Cb 0.45 2.69 -0.02 0.00 -1.74 0.00 0.00 68.15 69.53 2pum h THR 243 CO 0.00 0.46 -0.06 0.00 0.37 0.00 0.00 175.52 176.29 2pum h ALA 244 N -0.25 1.35 -6.53 6.16 0.00 -1.93 -3.47 119.26 114.59 2pum h ALA 244 Ca -0.09 -0.22 -0.51 0.00 0.00 0.00 0.00 54.91 54.09 2pum h ALA 244 Cb 0.98 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 2pum h ALA 244 CO -0.05 0.44 -0.86 0.54 0.00 0.00 0.00 179.25 179.32 2pum n ARG 245 N -4.25 -3.50 -3.62 0.00 1.74 -1.03 -4.96 116.66 101.05 2pum n ARG 245 Ca 0.01 0.42 -0.38 0.00 -0.77 0.00 0.00 57.85 57.12 2pum n ARG 245 Cb 0.27 -4.76 -0.11 0.00 -1.02 0.00 0.00 32.46 26.84 2pum n ARG 245 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2pum s VAL 246 N -3.74 5.00 0.82 1.55 1.01 -1.26 -4.97 120.40 118.82 2pum s VAL 246 Ca 0.23 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 2pum s VAL 246 Cb -0.12 -3.44 0.09 0.00 0.00 0.00 0.00 36.38 32.90 2pum s VAL 246 CO 0.89 0.19 1.09 -2.16 0.00 0.00 0.00 175.10 175.11 2pum s PRO 247 N 1.70 1.85 0.88 2.72 0.04 -1.26 -3.37 135.00 137.56 2pum s PRO 247 Ca 0.06 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 2pum s PRO 247 Cb -0.16 -1.86 0.12 0.00 0.04 0.00 0.00 34.50 32.64 2pum s PRO 247 CO 0.09 -1.87 1.11 0.00 0.04 0.00 0.00 177.00 176.36 2pum s PHE 249 N -2.77 3.52 -0.39 0.00 0.08 -1.26 -0.84 117.98 116.31 2pum s PHE 249 Ca 0.64 1.43 -0.18 0.00 0.12 0.00 0.00 56.93 58.94 2pum s PHE 249 Cb -0.20 -2.68 0.01 0.00 -0.57 0.00 0.00 43.02 39.58 2pum s PHE 249 CO 0.58 0.17 0.52 -1.17 -0.10 0.00 0.00 175.22 175.21 2pum s LEU 250 N -2.49 4.54 0.34 -0.37 2.96 0.97 -4.44 118.68 120.19 2pum s LEU 250 Ca 0.51 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 2pum s LEU 250 Cb -0.14 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 2pum s LEU 250 CO 0.19 -0.58 0.16 0.00 -1.32 0.00 0.00 176.35 174.81 2pum s ALA 251 N 2.41 2.26 0.55 5.97 0.00 -1.26 -4.41 121.76 127.28 2pum s ALA 251 Ca 0.17 -1.65 0.23 0.00 0.00 0.00 0.00 51.96 50.72 2pum s ALA 251 Cb -0.16 1.06 1.48 0.00 0.00 0.00 0.00 23.12 25.50 2pum s ALA 251 CO 0.15 -0.47 2.12 0.78 0.00 0.00 0.00 175.76 178.34 2pum h GLY 252 N 2.06 0.00 -5.09 0.00 0.00 -1.42 -3.40 103.07 95.22 2pum h GLY 252 Ca -0.33 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.38 2pum h GLY 252 CO 0.52 0.00 -0.86 -0.35 0.00 0.00 0.00 176.54 175.85 2pum s ASP 253 N -6.43 2.58 0.59 0.19 2.15 -0.71 -3.63 116.67 111.41 2pum s ASP 253 Ca -0.05 -0.42 0.29 0.00 0.43 0.00 0.00 52.55 52.80 2pum s ASP 253 Cb 0.17 -0.67 1.76 0.00 -0.30 0.00 0.00 42.92 43.88 2pum s ASP 253 CO 0.63 0.20 2.21 -0.26 -0.17 0.00 0.00 175.17 177.79 2pum h PHE 254 N 6.11 0.00 -0.07 -5.34 -1.00 -1.93 -2.79 116.94 111.92 2pum h PHE 254 Ca -0.33 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.45 2pum h PHE 254 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 2pum h PHE 254 CO 0.43 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 177.67 2pum n ARG 255 N -3.87 1.48 -0.33 1.51 3.00 -1.26 -4.55 116.66 112.64 2pum n ARG 255 Ca -0.02 -0.72 0.24 0.00 -0.01 0.00 0.00 57.85 57.34 2pum n ARG 255 Cb 0.14 -1.41 0.45 0.00 0.00 0.00 0.00 32.46 31.64 2pum n ARG 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2pum h ALA 256 N 4.03 1.69 -0.76 7.54 0.00 -1.85 0.35 119.26 130.25 2pum h ALA 256 Ca 0.00 0.31 -0.23 0.00 0.00 0.00 0.00 54.91 54.98 2pum h ALA 256 Cb 0.34 0.46 -0.14 0.00 0.00 0.00 0.00 17.79 18.45 2pum h ALA 256 CO 0.00 -0.77 0.29 -1.13 0.00 0.00 0.00 179.25 177.64 2pum n SER 257 N -5.37 4.85 0.28 0.00 3.41 -1.26 -2.28 113.62 113.24 2pum n SER 257 Ca 0.31 -3.23 0.12 0.00 -0.26 0.00 0.00 58.87 55.81 2pum n SER 257 Cb 1.04 -0.76 0.79 0.00 -0.26 0.00 0.00 64.21 65.02 2pum n SER 257 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2pum h GLU 258 N 2.65 0.00 -1.99 4.33 4.22 -1.26 -2.47 114.58 120.05 2pum h GLU 258 Ca 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.72 2pum h GLU 258 Cb 2.38 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 31.42 2pum h GLU 258 CO 0.77 0.03 0.08 1.14 -2.18 0.00 0.00 179.01 178.85 2pum s GLN 259 N -4.69 0.76 0.33 1.92 1.03 -1.26 -2.11 119.66 115.65 2pum s GLN 259 Ca -0.05 1.12 0.19 0.00 0.04 0.00 0.00 55.36 56.66 2pum s GLN 259 Cb 0.15 0.26 1.22 0.00 0.03 0.00 0.00 33.01 34.67 2pum s GLN 259 CO 0.60 -0.13 1.43 1.51 -2.54 0.00 0.00 175.29 176.16 2pum n ILE 260 N 3.57 -0.38 0.15 3.63 3.06 -1.07 0.77 119.36 129.08 2pum n ILE 260 Ca -0.17 1.84 0.01 0.00 -2.50 0.00 0.00 62.75 61.92 2pum n ILE 260 Cb 0.57 -2.98 0.20 0.00 0.54 0.00 0.00 39.64 37.97 2pum n ILE 260 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 2pum h LEU 261 N 0.00 0.00 0.07 9.51 4.07 -1.93 -0.16 115.31 126.88 2pum h LEU 261 Ca 0.77 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 58.50 2pum h LEU 261 Cb 2.03 0.00 0.02 0.00 1.08 0.00 0.00 40.66 43.79 2pum h LEU 261 CO -0.70 0.56 -0.92 0.25 -1.08 0.00 0.00 178.44 176.55 2pum h LEU 262 N 0.00 0.68 -1.54 1.67 5.85 0.08 -2.62 115.31 119.42 2pum h LEU 262 Ca -0.01 -0.82 0.00 0.00 0.84 0.00 0.00 57.88 57.89 2pum h LEU 262 Cb 1.07 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2pum h LEU 262 CO 0.07 1.43 0.29 0.00 -0.34 0.00 0.00 178.44 179.89 2pum h ALA 263 N 0.26 1.67 0.50 1.25 0.00 -0.77 -1.72 119.26 120.45 2pum h ALA 263 Ca -0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2pum h ALA 263 Cb 1.64 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2pum h ALA 263 CO 0.18 0.30 -0.27 1.15 0.00 0.00 0.00 179.25 180.61 2pum h THR 264 N 0.61 0.44 -0.90 0.00 2.02 -0.96 -2.22 112.91 111.90 2pum h THR 264 Ca 0.16 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.51 2pum h THR 264 Cb -0.05 0.44 -0.10 0.00 -1.74 0.00 0.00 68.15 66.70 2pum h THR 264 CO -0.03 0.00 0.49 0.00 0.37 0.00 0.00 175.52 176.35 2pum h ALA 265 N -0.24 1.41 -0.85 6.16 0.00 -1.05 -0.68 119.26 124.03 2pum h ALA 265 Ca -0.06 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2pum h ALA 265 Cb 0.57 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2pum h ALA 265 CO 0.09 -0.09 0.45 0.45 0.00 0.00 0.00 179.25 180.15 2pum h HIS 266 N 0.66 1.17 -0.52 0.00 3.86 -1.11 -2.38 115.15 116.84 2pum h HIS 266 Ca 0.51 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.68 2pum h HIS 266 Cb 0.75 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 2pum h HIS 266 CO -0.07 0.82 0.31 1.15 0.86 0.00 0.00 177.93 181.00 2pum h THR 267 N 1.19 1.16 -0.81 2.45 2.02 -0.51 0.02 112.91 118.43 2pum h THR 267 Ca 0.30 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 67.15 2pum h THR 267 Cb 0.05 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 66.87 2pum h THR 267 CO -0.05 0.17 0.51 -0.07 0.37 0.00 0.00 175.52 176.45 2pum h LEU 268 N 0.70 0.84 -0.34 2.58 4.07 -1.11 -0.85 115.31 121.19 2pum h LEU 268 Ca 0.19 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.07 2pum h LEU 268 Cb -0.01 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 2pum h LEU 268 CO -0.03 0.57 -0.10 -0.07 -1.08 0.00 0.00 178.44 177.73 2pum h LEU 269 N 0.99 0.68 -0.42 1.67 3.38 -0.92 -0.53 115.31 120.16 2pum h LEU 269 Ca 0.33 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2pum h LEU 269 Cb 0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2pum h LEU 269 CO -0.12 0.89 0.22 0.25 0.09 0.00 0.00 178.44 179.77 2pum h LEU 270 N 0.45 0.34 -0.90 1.67 5.85 -0.88 -2.47 115.31 119.39 2pum h LEU 270 Ca 0.08 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2pum h LEU 270 Cb 0.61 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 2pum h LEU 270 CO 0.04 0.25 0.59 0.03 -0.34 0.00 0.00 178.44 179.00 2pum h ARG 271 N 0.45 1.14 0.00 1.25 3.08 -0.93 0.63 114.38 120.01 2pum h ARG 271 Ca 0.17 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 2pum h ARG 271 Cb 0.05 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 2pum h ARG 271 CO -0.10 0.76 -0.26 1.49 -1.07 0.00 0.00 179.97 180.78 2pum h GLU 272 N 1.18 0.00 0.09 0.04 4.57 -0.87 -1.15 114.58 118.44 2pum h GLU 272 Ca 0.34 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.52 2pum h GLU 272 Cb -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 2pum h GLU 272 CO -0.09 0.26 -0.05 1.25 -1.18 0.00 0.00 179.01 179.21 2pum h HIS 273 N 0.00 -0.12 -0.66 0.92 2.76 -0.42 -1.96 115.15 115.68 2pum h HIS 273 Ca -0.00 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.21 2pum h HIS 273 Cb 0.52 0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.47 2pum h HIS 273 CO 0.00 0.26 0.39 -0.91 -1.30 0.00 0.00 177.93 176.37 2pum h ASN 274 N -0.52 0.61 -0.79 3.26 2.35 -1.43 -0.57 115.58 118.50 2pum h ASN 274 Ca -0.01 0.01 0.11 0.00 -0.55 0.00 0.00 56.30 55.87 2pum h ASN 274 Cb 0.43 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.63 2pum h ASN 274 CO 0.02 0.41 0.52 -0.09 -1.65 0.00 0.00 177.43 176.64 2pum h ARG 275 N 0.75 0.62 0.04 0.81 2.43 -1.09 0.59 114.38 118.53 2pum h ARG 275 Ca 0.28 -0.04 -0.26 0.00 -0.81 0.00 0.00 59.98 59.15 2pum h ARG 275 Cb 0.10 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 2pum h ARG 275 CO -0.14 0.41 -1.32 1.25 -1.51 0.00 0.00 179.97 178.66 2pum h LEU 276 N 0.64 0.14 -0.03 3.80 5.85 -0.98 -2.05 115.31 122.68 2pum h LEU 276 Ca 0.37 -0.18 -0.17 0.00 0.84 0.00 0.00 57.88 58.74 2pum h LEU 276 Cb 0.58 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.58 2pum h LEU 276 CO -0.14 1.15 -0.66 0.00 -0.34 0.00 0.00 178.44 178.44 2pum h ALA 277 N 0.83 0.11 -0.29 1.25 0.00 -0.39 -1.78 119.26 119.00 2pum h ALA 277 Ca -0.14 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.04 2pum h ALA 277 Cb 1.91 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 2pum h ALA 277 CO 0.13 0.42 -0.41 0.07 0.00 0.00 0.00 179.25 179.46 2pum h ARG 278 N 0.04 0.70 -0.55 0.00 0.11 -0.91 -0.95 114.38 112.81 2pum h ARG 278 Ca -0.08 -0.37 0.09 0.00 0.10 0.00 0.00 59.98 59.72 2pum h ARG 278 Cb 1.35 0.01 -0.07 0.00 1.11 0.00 0.00 29.97 32.37 2pum h ARG 278 CO 0.13 0.98 0.17 0.93 0.10 0.00 0.00 179.97 182.28 2pum h GLU 279 N 0.57 0.32 -0.52 0.08 3.07 -1.43 -2.43 114.58 114.23 2pum h GLU 279 Ca 0.05 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.82 2pum h GLU 279 Cb 0.95 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.77 2pum h GLU 279 CO 0.09 0.21 0.08 -0.07 -1.40 0.00 0.00 179.01 177.92 2pum h LEU 280 N 0.33 0.84 -0.44 1.33 3.38 -0.39 -2.32 115.31 118.03 2pum h LEU 280 Ca 0.28 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 58.06 2pum h LEU 280 Cb 0.36 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 2pum h LEU 280 CO -0.31 0.89 0.03 0.50 0.09 0.00 0.00 178.44 179.63 2pum h LYS 281 N 0.75 0.14 -0.97 1.13 1.63 -1.07 0.89 116.57 119.07 2pum h LYS 281 Ca 0.16 -0.01 0.26 0.00 -0.85 0.00 0.00 60.65 60.21 2pum h LYS 281 Cb 0.41 -0.03 -0.13 0.00 -0.60 0.00 0.00 32.23 31.88 2pum h LYS 281 CO 0.01 0.09 0.53 0.87 -3.45 0.00 0.00 179.45 177.50 2pum h LYS 282 N 0.14 0.46 0.05 1.90 1.57 -0.92 -2.53 116.57 117.23 2pum h LYS 282 Ca 0.22 -0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 58.68 2pum h LYS 282 Cb 0.31 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2pum h LYS 282 CO -0.34 0.30 -1.57 -0.07 -0.57 0.00 0.00 179.45 177.20 2pum h LEU 283 N 0.47 0.16 -6.71 2.94 3.38 -0.96 -3.41 115.31 111.18 2pum h LEU 283 Ca 0.64 -0.26 -0.61 0.00 0.09 0.00 0.00 57.88 57.74 2pum h LEU 283 Cb 1.28 -0.05 -0.40 0.00 0.09 0.00 0.00 40.66 41.58 2pum h LEU 283 CO -0.52 1.23 -0.75 0.59 0.09 0.00 0.00 178.44 179.07 2pum n ASN 284 N -3.26 1.61 0.26 -0.43 3.02 0.19 -4.75 115.26 111.89 2pum n ASN 284 Ca -0.16 -2.88 0.09 0.00 -0.03 0.00 0.00 54.58 51.60 2pum n ASN 284 Cb 1.03 -0.67 0.66 0.00 -0.61 0.00 0.00 39.78 40.19 2pum n ASN 284 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2pum h PRO 285 N 5.35 0.00 0.00 3.52 0.11 -1.72 0.14 132.00 139.41 2pum h PRO 285 Ca 0.20 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.21 2pum h PRO 285 Cb 0.81 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2pum h PRO 285 CO 0.58 0.05 -0.44 1.12 -0.21 0.00 0.00 178.00 179.10 2pum h HIS 286 N 0.00 0.00 -2.48 0.65 2.07 -1.93 -3.46 115.15 110.00 2pum h HIS 286 Ca -0.00 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.91 2pum h HIS 286 Cb 0.09 0.00 0.12 0.00 2.57 0.00 0.00 27.41 30.19 2pum h HIS 286 CO 0.00 0.44 0.04 0.91 -3.07 0.00 0.00 177.93 176.25 2pum n TRP 287 N -3.62 0.98 -2.04 6.12 7.02 0.50 -4.97 117.44 121.43 2pum n TRP 287 Ca -0.01 0.68 -0.30 0.00 -1.02 0.00 0.00 57.50 56.86 2pum n TRP 287 Cb 0.53 -2.20 0.01 0.00 -2.42 0.00 0.00 31.31 27.23 2pum n TRP 287 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 2pum s ASN 288 N -0.65 6.20 0.18 -0.99 2.47 -1.26 -4.89 114.94 116.00 2pum s ASN 288 Ca 0.60 1.29 -0.13 0.00 0.42 0.00 0.00 52.86 55.04 2pum s ASN 288 Cb -0.68 -2.39 0.17 0.00 -1.45 0.00 0.00 41.25 36.90 2pum s ASN 288 CO 0.59 -0.82 1.72 1.23 -3.72 0.00 0.00 177.10 176.10 2pum h GLY 289 N -0.21 0.58 0.83 1.21 0.00 -1.93 0.15 103.07 103.69 2pum h GLY 289 Ca -0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2pum h GLY 289 CO 0.62 -0.06 -0.10 -2.09 0.00 0.00 0.00 176.54 174.91 2pum h GLU 290 N 0.24 -0.27 -0.51 4.80 4.57 -1.95 -2.27 114.58 119.18 2pum h GLU 290 Ca 0.23 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.46 2pum h GLU 290 Cb 0.30 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 2pum h GLU 290 CO -0.30 -0.05 0.34 -0.22 -1.18 0.00 0.00 179.01 177.60 2pum h LYS 291 N -0.46 0.57 -0.03 1.92 3.64 -1.87 0.23 116.57 120.57 2pum h LYS 291 Ca -0.03 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2pum h LYS 291 Cb 0.35 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2pum h LYS 291 CO 0.05 0.37 0.02 -0.07 -2.27 0.00 0.00 179.45 177.55 2pum h LEU 292 N 0.58 0.03 0.54 5.20 -0.00 -0.58 -0.98 115.31 120.09 2pum h LEU 292 Ca 0.20 -0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 58.02 2pum h LEU 292 Cb 0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 2pum h LEU 292 CO -0.05 0.06 -0.27 0.22 -0.00 0.00 0.00 178.44 178.40 2pum h TYR 293 N -0.00 -0.70 -0.98 1.13 3.20 -0.45 -1.54 116.97 117.63 2pum h TYR 293 Ca 0.01 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.08 2pum h TYR 293 Cb 0.04 0.23 -0.09 0.00 1.54 0.00 0.00 36.73 38.45 2pum h TYR 293 CO -0.06 -0.43 0.62 1.96 -1.64 0.00 0.00 178.16 178.61 2pum h GLN 294 N -0.73 0.51 0.05 1.82 1.08 -0.67 -1.43 115.11 115.74 2pum h GLN 294 Ca -0.07 -0.03 -0.25 0.00 -1.45 0.00 0.00 58.65 56.85 2pum h GLN 294 Cb 0.57 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 27.89 2pum h GLN 294 CO 0.11 0.34 -1.06 0.93 -0.95 0.00 0.00 178.83 178.20 2pum h GLU 295 N 0.53 0.41 0.22 1.46 4.39 -0.99 -0.68 114.58 119.92 2pum h GLU 295 Ca 0.55 -0.51 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2pum h GLU 295 Cb 1.17 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 2pum h GLU 295 CO -0.28 1.18 -0.11 0.00 -1.16 0.00 0.00 179.01 178.64 2pum h ALA 296 N 0.63 -0.30 -0.88 3.43 0.00 -0.78 -2.42 119.26 118.95 2pum h ALA 296 Ca -0.11 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 54.81 2pum h ALA 296 Cb 1.72 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 19.49 2pum h ALA 296 CO 0.18 -0.59 -0.42 -0.09 0.00 0.00 0.00 179.25 178.33 2pum h ARG 297 N -0.45 -0.06 -0.98 0.00 2.43 -1.29 0.34 114.38 114.37 2pum h ARG 297 Ca -0.03 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.22 2pum h ARG 297 Cb 0.34 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.83 2pum h ARG 297 CO 0.05 -0.04 0.62 -0.22 -1.51 0.00 0.00 179.97 178.87 2pum h LYS 298 N -0.06 1.06 -0.20 0.20 3.64 -1.08 -1.27 116.57 118.87 2pum h LYS 298 Ca 0.28 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 2pum h LYS 298 Cb 0.56 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2pum h LYS 298 CO -0.89 0.70 -0.18 0.82 -2.27 0.00 0.00 179.45 177.63 2pum h ILE 299 N 1.09 1.33 -0.88 2.00 2.04 0.04 -2.31 117.51 120.81 2pum h ILE 299 Ca 0.44 -1.33 0.07 0.00 1.00 0.00 0.00 64.86 65.03 2pum h ILE 299 Cb 0.24 1.75 -0.07 0.00 -0.74 0.00 0.00 36.82 38.01 2pum h ILE 299 CO -0.20 0.41 0.55 0.25 0.00 0.00 0.00 178.15 179.15 2pum h LEU 300 N 0.15 0.85 -0.19 1.44 5.85 -0.28 0.31 115.31 123.44 2pum h LEU 300 Ca 0.03 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2pum h LEU 300 Cb 0.72 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 2pum h LEU 300 CO 0.05 0.53 0.04 1.23 -0.34 0.00 0.00 178.44 179.94 2pum h GLY 301 N 0.97 0.21 0.92 3.75 0.00 -1.20 -1.01 103.07 106.71 2pum h GLY 301 Ca 0.39 -0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.77 2pum h GLY 301 CO -0.19 -0.00 0.55 0.00 0.00 0.00 0.00 176.54 176.90 2pum h ALA 302 N 1.14 1.57 0.01 3.60 0.00 -0.73 -2.23 119.26 122.61 2pum h ALA 302 Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2pum h ALA 302 Cb 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2pum h ALA 302 CO -0.11 0.30 -0.00 0.35 0.00 0.00 0.00 179.25 179.79 2pum h PHE 303 N 0.94 -0.01 -0.37 0.00 3.57 -0.22 -1.54 116.94 119.33 2pum h PHE 303 Ca 0.36 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.86 2pum h PHE 303 Cb 0.21 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2pum h PHE 303 CO -0.00 0.28 0.22 0.82 -2.23 0.00 0.00 178.31 177.41 2pum h ILE 304 N -0.30 1.10 -0.55 1.41 2.04 -0.95 -1.52 117.51 118.74 2pum h ILE 304 Ca -0.00 -0.22 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 2pum h ILE 304 Cb 0.29 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2pum h ILE 304 CO 0.00 0.11 -0.10 1.56 0.00 0.00 0.00 178.15 179.72 2pum h GLN 305 N 0.50 1.04 0.14 2.37 4.20 -1.18 -2.04 115.11 120.13 2pum h GLN 305 Ca 0.13 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 2pum h GLN 305 Cb -0.03 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.68 2pum h GLN 305 CO -0.03 1.07 -0.07 0.82 -0.67 0.00 0.00 178.83 179.96 2pum h ILE 306 N 0.93 1.03 -0.72 2.54 2.04 -0.38 0.21 117.51 123.16 2pum h ILE 306 Ca 0.15 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.07 2pum h ILE 306 Cb 0.67 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 2pum h ILE 306 CO 0.05 0.21 0.45 0.40 0.00 0.00 0.00 178.15 179.26 2pum h ILE 307 N -0.65 1.19 -0.01 -0.67 1.08 -1.37 0.82 117.51 117.90 2pum h ILE 307 Ca -0.02 -0.39 -0.00 0.00 -0.39 0.00 0.00 64.86 64.06 2pum h ILE 307 Cb 0.49 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.40 2pum h ILE 307 CO 0.03 0.19 -0.01 0.74 -0.69 0.00 0.00 178.15 178.42 2pum h THR 308 N 0.98 1.38 0.05 -0.27 2.02 -1.30 -1.27 112.91 114.50 2pum h THR 308 Ca 0.26 -1.14 -0.25 0.00 0.77 0.00 0.00 66.41 66.06 2pum h THR 308 Cb -0.08 2.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 2pum h THR 308 CO -0.05 0.30 -1.19 -0.26 0.37 0.00 0.00 175.52 174.68 2pum h PHE 309 N -0.46 0.20 0.06 3.16 -1.00 0.01 -1.32 116.94 117.60 2pum h PHE 309 Ca 0.00 -0.14 -0.23 0.00 2.81 0.00 0.00 57.97 60.41 2pum h PHE 309 Cb 0.49 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 2pum h PHE 309 CO 0.09 1.13 -1.19 -0.09 -1.61 0.00 0.00 178.31 176.64 2pum h ARG 310 N 0.03 0.13 0.00 1.51 2.43 0.52 -3.41 114.38 115.59 2pum h ARG 310 Ca -0.10 -0.22 -0.32 0.00 -0.81 0.00 0.00 59.98 58.54 2pum h ARG 310 Cb 1.88 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 31.45 2pum h ARG 310 CO 0.15 1.11 -2.17 -0.25 -1.51 0.00 0.00 179.97 177.30 2pum n ASP 311 N -4.17 0.23 -0.13 -3.80 8.00 -0.71 -4.71 116.55 111.26 2pum n ASP 311 Ca -0.26 0.11 -0.28 0.00 0.71 0.00 0.00 54.79 55.07 2pum n ASP 311 Cb 0.78 0.80 -0.10 0.00 -0.02 0.00 0.00 41.12 42.57 2pum n ASP 311 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pum n TYR 312 N -2.79 0.19 -0.26 1.24 9.36 -0.56 -4.38 117.16 119.96 2pum n TYR 312 Ca -0.26 0.08 -0.07 0.00 3.32 0.00 0.00 57.90 60.96 2pum n TYR 312 Cb 1.08 -1.02 0.05 0.00 -0.63 0.00 0.00 39.34 38.82 2pum n TYR 312 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2pum h LEU 313 N -0.92 1.05 -2.00 2.98 3.38 -1.48 -2.19 115.31 116.12 2pum h LEU 313 Ca -0.64 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 57.22 2pum h LEU 313 Cb 1.59 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 2pum h LEU 313 CO -0.36 0.98 0.24 -0.65 0.09 0.00 0.00 178.44 178.73 2pum h PRO 314 N 1.06 0.00 -0.53 1.13 0.11 -1.80 0.42 132.00 132.39 2pum h PRO 314 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2pum h PRO 314 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2pum h PRO 314 CO -0.01 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 178.22 2pum n ILE 315 N -4.44 0.69 -0.10 4.15 -5.35 -0.86 -1.26 119.36 112.20 2pum n ILE 315 Ca 0.05 -0.80 -0.18 0.00 -0.27 0.00 0.00 62.75 61.54 2pum n ILE 315 Cb 0.41 0.66 -0.06 0.00 -1.74 0.00 0.00 39.64 38.91 2pum n ILE 315 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2pum n VAL 316 N 1.40 1.38 0.21 7.28 0.31 -0.42 -4.09 118.33 124.40 2pum n VAL 316 Ca 0.21 -0.13 0.08 0.00 -0.01 0.00 0.00 64.34 64.50 2pum n VAL 316 Cb 0.57 -2.00 0.39 0.00 -0.91 0.00 0.00 33.84 31.89 2pum n VAL 316 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2pum h LEU 317 N -0.87 0.00 0.00 7.52 -0.00 -0.36 0.20 115.31 121.81 2pum h LEU 317 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 2pum h LEU 317 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 2pum h LEU 317 CO -0.22 0.27 0.00 0.61 -0.00 0.00 0.00 178.44 179.10 2pum n GLY 318 N 0.27 2.87 0.33 0.83 0.00 -0.39 -1.58 105.19 107.52 2pum n GLY 318 Ca 0.00 -0.33 0.19 0.00 0.00 0.00 0.00 46.02 45.88 2pum n GLY 318 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2pum h SER 319 N 8.30 0.00 1.48 1.61 4.64 -1.30 -2.18 113.55 126.11 2pum h SER 319 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pum h SER 319 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2pum h SER 319 CO 0.00 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.63 2pum h GLU 320 N 0.00 0.00 -0.30 4.77 4.39 -1.56 -3.37 114.58 118.52 2pum h GLU 320 Ca 0.02 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.75 2pum h GLU 320 Cb 0.22 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.82 2pum h GLU 320 CO -0.00 0.00 -0.31 1.98 -1.16 0.00 0.00 179.01 179.52 2pum h MET 321 N 0.00 -0.16 0.00 2.33 1.85 -1.42 -1.28 114.93 116.25 2pum h MET 321 Ca 0.00 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.10 2pum h MET 321 Cb 0.74 0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.81 2pum h MET 321 CO 0.00 -0.11 0.00 0.00 -0.40 0.00 0.00 176.91 176.40 2pum n GLN 322 N -4.19 0.02 0.00 0.39 10.64 -1.26 -0.55 117.38 122.43 2pum n GLN 322 Ca -0.01 0.37 0.13 0.00 -1.83 0.00 0.00 57.00 55.66 2pum n GLN 322 Cb 0.18 -1.55 0.36 0.00 -0.86 0.00 0.00 30.24 28.37 2pum n GLN 322 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 2pum n LYS 323 N -1.59 0.42 0.00 2.61 2.85 -0.49 -4.05 118.16 117.91 2pum n LYS 323 Ca 0.02 -0.23 0.00 0.00 -1.05 0.00 0.00 58.31 57.05 2pum n LYS 323 Cb 0.10 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.99 2pum n LYS 323 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2pum n TRP 324 N -1.09 0.00 -3.81 5.58 7.02 -0.57 -4.88 117.44 119.68 2pum n TRP 324 Ca 0.09 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.29 2pum n TRP 324 Cb 0.33 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 29.11 2pum n TRP 324 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2pum n ILE 325 N -2.22 1.25 -0.73 -0.99 5.41 0.29 -4.68 119.36 117.70 2pum n ILE 325 Ca 0.00 -4.68 -0.31 0.00 1.00 0.00 0.00 62.75 58.77 2pum n ILE 325 Cb 0.50 -2.11 0.27 0.00 -0.71 0.00 0.00 39.64 37.59 2pum n ILE 325 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2pum s PRO 326 N -1.29 -2.38 0.56 0.38 0.04 -1.26 -4.41 135.00 126.64 2pum s PRO 326 Ca 0.27 -0.09 -0.15 0.00 0.04 0.00 0.00 61.00 61.06 2pum s PRO 326 Cb -0.02 -1.46 -0.06 0.00 0.04 0.00 0.00 34.50 33.00 2pum s PRO 326 CO -0.17 -4.47 1.01 -1.25 0.04 0.00 0.00 177.00 172.17 2pum s PRO 327 N -5.35 3.68 0.21 0.56 0.05 -1.26 -4.92 135.00 127.97 2pum s PRO 327 Ca 0.71 0.98 -0.30 0.00 0.05 0.00 0.00 61.00 62.44 2pum s PRO 327 Cb -0.09 -2.09 -0.09 0.00 0.05 0.00 0.00 34.50 32.27 2pum s PRO 327 CO 0.56 -0.50 1.40 -0.47 0.05 0.00 0.00 177.00 178.04 2pum s TYR 328 N -2.70 3.12 -0.72 0.56 5.04 -1.26 -4.91 117.35 116.49 2pum s TYR 328 Ca 0.59 1.05 0.07 0.00 -2.44 0.00 0.00 57.07 56.34 2pum s TYR 328 Cb -0.12 -3.75 0.13 0.00 0.35 0.00 0.00 41.96 38.58 2pum s TYR 328 CO 0.38 -2.45 0.97 1.04 -1.34 0.00 0.00 175.55 174.15 2pum n GLN 329 N 2.71 1.63 0.00 4.97 6.02 -1.26 -5.11 117.38 126.35 2pum n GLN 329 Ca 0.08 -1.44 0.00 0.00 -0.01 0.00 0.00 57.00 55.62 2pum n GLN 329 Cb 0.41 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.52 2pum n GLN 329 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pum n GLY 330 N 0.25 2.87 3.63 1.08 0.00 -1.26 -5.04 105.19 106.73 2pum n GLY 330 Ca 0.06 -1.83 -0.48 0.00 0.00 0.00 0.00 46.02 43.77 2pum n GLY 330 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2pum n TYR 331 N 0.23 1.88 -3.89 1.61 9.36 -1.26 -4.96 117.16 120.13 2pum n TYR 331 Ca 0.00 0.48 -0.34 0.00 3.32 0.00 0.00 57.90 61.36 2pum n TYR 331 Cb 0.00 -2.42 -0.13 0.00 -0.63 0.00 0.00 39.34 36.16 2pum n TYR 331 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2pum s ASN 332 N 0.47 5.00 0.00 2.98 3.84 -0.41 -5.00 114.94 121.82 2pum s ASN 332 Ca 0.76 -2.16 0.00 0.00 0.21 0.00 0.00 52.86 51.67 2pum s ASN 332 Cb -0.77 -1.73 0.02 0.00 -0.55 0.00 0.00 41.25 38.22 2pum s ASN 332 CO 0.46 -0.45 0.78 -0.46 -2.79 0.00 0.00 177.10 174.63 2pum n ASN 333 N 4.34 0.00 -0.00 -4.21 2.04 -1.26 -1.92 115.26 114.24 2pum n ASN 333 Ca 0.01 0.25 0.10 0.00 -0.44 0.00 0.00 54.58 54.51 2pum n ASN 333 Cb 0.41 -0.26 -0.12 0.00 -2.53 0.00 0.00 39.78 37.28 2pum n ASN 333 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 2pum n SER 334 N -1.26 0.87 -4.74 0.53 7.64 -1.26 -4.92 113.62 110.48 2pum n SER 334 Ca 0.00 -0.87 -0.41 0.00 1.01 0.00 0.00 58.87 58.61 2pum n SER 334 Cb 0.00 1.12 -0.05 0.00 -1.01 0.00 0.00 64.21 64.28 2pum n SER 334 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2pum s VAL 335 N -3.07 4.12 -0.52 0.44 1.01 -0.81 -5.00 120.40 116.57 2pum s VAL 335 Ca 0.06 1.92 -0.23 0.00 0.00 0.00 0.00 61.98 63.73 2pum s VAL 335 Cb 0.16 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.36 2pum s VAL 335 CO 0.87 0.37 0.83 -0.62 0.00 0.00 0.00 175.10 176.56 2pum s ASP 336 N -0.48 6.33 0.00 3.32 2.15 -1.26 -4.73 116.67 122.00 2pum s ASP 336 Ca 0.45 -0.43 0.24 0.00 0.43 0.00 0.00 52.55 53.24 2pum s ASP 336 Cb -0.26 -2.39 1.32 0.00 -0.30 0.00 0.00 42.92 41.29 2pum s ASP 336 CO 0.33 -1.08 1.79 -0.81 -0.17 0.00 0.00 175.17 175.22 2pum n PRO 337 N 7.00 0.57 -2.44 4.34 -0.04 -1.26 -4.76 135.00 138.41 2pum n PRO 337 Ca -0.00 0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 63.08 2pum n PRO 337 Cb 0.47 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 2pum n PRO 337 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2pum s ARG 338 N -2.25 4.52 0.14 0.54 0.52 -1.26 -4.54 118.95 116.62 2pum s ARG 338 Ca 0.30 1.79 -0.33 0.00 -0.52 0.00 0.00 55.73 56.97 2pum s ARG 338 Cb 0.16 -3.27 -0.13 0.00 0.52 0.00 0.00 34.95 32.23 2pum s ARG 338 CO 0.31 -0.05 1.69 -0.89 0.02 0.00 0.00 175.30 176.39 2pum n ILE 339 N 2.67 0.13 -2.58 1.52 2.08 -1.26 -4.70 119.36 117.22 2pum n ILE 339 Ca 0.04 -0.02 -0.30 0.00 0.56 0.00 0.00 62.75 63.03 2pum n ILE 339 Cb 0.46 -1.77 -0.02 0.00 -0.75 0.00 0.00 39.64 37.55 2pum n ILE 339 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2pum s SER 340 N 1.64 6.45 0.23 4.38 1.04 -1.26 -0.59 113.70 125.59 2pum s SER 340 Ca 0.80 1.23 -0.08 0.00 0.48 0.00 0.00 55.95 58.38 2pum s SER 340 Cb -0.61 -2.37 0.20 0.00 0.10 0.00 0.00 66.02 63.34 2pum s SER 340 CO 0.38 -0.54 1.86 -1.13 0.98 0.00 0.00 173.24 174.79 2pum h ASN 341 N 0.77 1.08 -0.07 7.02 -0.73 -1.05 -2.86 115.58 119.74 2pum h ASN 341 Ca -0.47 -0.09 -0.10 0.00 1.87 0.00 0.00 56.30 57.51 2pum h ASN 341 Cb 1.19 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 39.49 2pum h ASN 341 CO 0.63 0.86 -0.27 1.62 -0.37 0.00 0.00 177.43 179.89 2pum h VAL 342 N 1.22 1.27 -0.90 2.57 3.04 -1.94 -2.86 116.25 118.64 2pum h VAL 342 Ca 0.31 -1.33 0.22 0.00 -1.01 0.00 0.00 66.70 64.89 2pum h VAL 342 Cb 0.01 1.37 -0.12 0.00 -2.01 0.00 0.00 31.29 30.53 2pum h VAL 342 CO -0.05 0.42 0.41 0.15 -1.01 0.00 0.00 177.57 177.49 2pum h PHE 343 N 0.46 0.68 0.00 3.17 3.57 -1.87 0.12 116.94 123.07 2pum h PHE 343 Ca 0.06 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2pum h PHE 343 Cb 0.71 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.29 2pum h PHE 343 CO 0.03 -0.03 0.00 0.25 -2.23 0.00 0.00 178.31 176.33 2pum n THR 344 N -5.02 1.33 -0.06 4.41 -2.24 -1.08 -0.08 114.28 111.54 2pum n THR 344 Ca 0.22 0.33 -0.06 0.00 -2.27 0.00 0.00 64.05 62.27 2pum n THR 344 Cb 0.65 -1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 67.58 2pum n THR 344 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2pum n PHE 345 N -1.45 0.00 -0.13 4.78 3.01 0.05 -4.28 117.46 119.45 2pum n PHE 345 Ca 0.02 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.39 2pum n PHE 345 Cb 0.08 -0.60 -0.01 0.00 -0.01 0.00 0.00 39.48 38.93 2pum n PHE 345 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pum h ALA 346 N 0.58 0.49 0.00 4.37 0.00 0.27 -1.46 119.26 123.51 2pum h ALA 346 Ca -0.33 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2pum h ALA 346 Cb 1.75 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2pum h ALA 346 CO 0.02 0.14 0.00 0.34 0.00 0.00 0.00 179.25 179.74 2pum n PHE 347 N -4.62 0.54 1.27 0.00 -0.00 0.89 -2.31 117.46 113.23 2pum n PHE 347 Ca -0.01 0.26 0.03 0.00 -0.00 0.00 0.00 57.45 57.73 2pum n PHE 347 Cb 0.18 -0.92 0.17 0.00 -0.00 0.00 0.00 39.48 38.91 2pum n PHE 347 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2pum n ARG 348 N -2.04 0.63 0.27 -4.13 1.74 -0.55 -3.12 116.66 109.47 2pum n ARG 348 Ca -0.00 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.22 2pum n ARG 348 Cb 0.08 -1.14 0.75 0.00 -1.02 0.00 0.00 32.46 31.13 2pum n ARG 348 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2pum h PHE 349 N 0.00 0.00 0.00 -1.55 -5.15 -1.64 -0.90 116.94 107.70 2pum h PHE 349 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2pum h PHE 349 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 2pum h PHE 349 CO 0.00 0.10 0.02 0.41 -2.00 0.00 0.00 178.31 176.84 2pum n GLY 350 N -0.58 -0.83 0.24 6.09 0.00 -1.18 -1.85 105.19 107.07 2pum n GLY 350 Ca -0.01 0.19 0.16 0.00 0.00 0.00 0.00 46.02 46.35 2pum n GLY 350 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2pum h HIS 351 N 0.00 0.00 -0.01 1.61 3.86 -1.45 -1.45 115.15 117.71 2pum h HIS 351 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2pum h HIS 351 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 2pum h HIS 351 CO 0.00 0.00 -0.29 -1.33 0.86 0.00 0.00 177.93 177.17 2pum n MET 352 N -2.86 0.97 -0.12 2.45 2.81 -0.77 -3.60 117.12 116.00 2pum n MET 352 Ca 0.01 -0.64 0.11 0.00 -1.81 0.00 0.00 57.70 55.37 2pum n MET 352 Cb 0.29 -1.49 0.28 0.00 -0.71 0.00 0.00 33.22 31.59 2pum n MET 352 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2pum n GLU 353 N -0.45 2.14 -3.55 0.03 1.02 -0.55 -4.09 120.64 115.20 2pum n GLU 353 Ca 0.12 -1.72 -0.38 0.00 -0.02 0.00 0.00 57.16 55.16 2pum n GLU 353 Cb 0.38 -1.46 -0.11 0.00 -0.02 0.00 0.00 31.44 30.23 2pum n GLU 353 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2pum s VAL 354 N -1.69 5.28 0.76 2.62 1.01 -1.24 -1.86 120.40 125.29 2pum s VAL 354 Ca 0.35 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.47 2pum s VAL 354 Cb 0.20 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 33.06 2pum s VAL 354 CO 0.29 0.23 1.11 -2.84 0.00 0.00 0.00 175.10 173.89 2pum s PRO 355 N 1.83 2.38 0.47 2.72 0.02 -1.26 -4.46 135.00 136.70 2pum s PRO 355 Ca 0.09 0.47 0.26 0.00 0.02 0.00 0.00 61.00 61.84 2pum s PRO 355 Cb -0.16 -1.97 0.74 0.00 0.02 0.00 0.00 34.50 33.13 2pum s PRO 355 CO 0.11 -1.37 1.75 0.66 -0.33 0.00 0.00 177.00 177.81 2pum h SER 356 N -0.90 0.00 -3.70 2.53 4.64 -1.98 -3.44 113.55 110.69 2pum h SER 356 Ca -0.46 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.47 2pum h SER 356 Cb 1.27 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.22 2pum h SER 356 CO 0.62 0.05 -0.68 0.42 -0.87 0.00 0.00 176.83 176.37 2pum s THR 357 N -3.39 1.22 -0.02 2.95 -4.23 -1.26 -0.23 115.64 110.67 2pum s THR 357 Ca 0.04 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 58.51 2pum s THR 357 Cb 0.07 -2.21 -0.00 0.00 1.34 0.00 0.00 72.50 71.70 2pum s THR 357 CO 0.63 -0.45 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.46 2pum s VAL 358 N -3.30 0.94 0.07 2.29 1.01 0.09 -4.82 120.40 116.68 2pum s VAL 358 Ca 0.25 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.83 2pum s VAL 358 Cb 0.04 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 2pum s VAL 358 CO 0.07 0.28 -0.09 -0.44 0.00 0.00 0.00 175.10 174.92 2pum s SER 359 N 0.05 4.45 -0.12 3.32 0.01 -1.26 -0.70 113.70 119.45 2pum s SER 359 Ca -0.01 -0.31 -0.01 0.00 1.31 0.00 0.00 55.95 56.92 2pum s SER 359 Cb -0.08 -0.91 -0.02 0.00 0.21 0.00 0.00 66.02 65.22 2pum s SER 359 CO 0.01 0.21 -0.08 -0.13 0.41 0.00 0.00 173.24 173.66 2pum s ARG 360 N -1.94 3.34 0.13 12.44 3.00 -0.66 -4.30 118.95 130.96 2pum s ARG 360 Ca 0.20 -0.58 0.10 0.00 0.00 0.00 0.00 55.73 55.45 2pum s ARG 360 Cb -0.11 -2.73 -0.04 0.00 0.00 0.00 0.00 34.95 32.07 2pum s ARG 360 CO 0.12 0.34 -0.24 -0.51 0.00 0.00 0.00 175.30 175.01 2pum s LEU 361 N 0.06 2.44 0.00 2.53 1.43 -0.97 -2.12 118.68 122.04 2pum s LEU 361 Ca -0.02 -0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 52.34 2pum s LEU 361 Cb -0.14 -1.31 0.14 0.00 0.03 0.00 0.00 46.19 44.90 2pum s LEU 361 CO 0.03 0.17 0.89 -0.90 0.23 0.00 0.00 176.35 176.78 2pum n ASP 362 N 0.82 0.91 0.24 2.29 5.68 0.17 -4.30 116.55 122.36 2pum n ASP 362 Ca -0.17 -1.84 0.15 0.00 -0.50 0.00 0.00 54.79 52.43 2pum n ASP 362 Cb 0.53 -0.61 0.80 0.00 -1.14 0.00 0.00 41.12 40.71 2pum n ASP 362 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2pum h GLU 363 N 0.00 0.00 -0.67 0.11 5.08 -1.99 1.01 114.58 118.11 2pum h GLU 363 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2pum h GLU 363 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2pum h GLU 363 CO 0.29 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.39 2pum n ASN 364 N -2.57 4.63 -1.42 1.42 5.03 -1.26 -4.91 115.26 116.18 2pum n ASN 364 Ca -0.02 -2.36 -0.14 0.00 0.87 0.00 0.00 54.58 52.93 2pum n ASN 364 Cb 0.11 -0.56 -0.03 0.00 -1.02 0.00 0.00 39.78 38.27 2pum n ASN 364 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2pum n TYR 365 N 1.24 -0.40 -3.84 3.10 4.01 0.35 -5.01 117.16 116.60 2pum n TYR 365 Ca 0.26 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.75 2pum n TYR 365 Cb 0.84 -2.85 -0.03 0.00 -0.31 0.00 0.00 39.34 36.99 2pum n TYR 365 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2pum s GLN 366 N -4.09 3.46 -0.38 -0.72 -1.52 -1.23 -4.72 119.66 110.46 2pum s GLN 366 Ca 0.00 -0.55 -0.42 0.00 -1.95 0.00 0.00 55.36 52.44 2pum s GLN 366 Cb 0.00 -2.89 -0.17 0.00 -0.22 0.00 0.00 33.01 29.73 2pum s GLN 366 CO 0.00 0.44 1.77 -2.30 -0.25 0.00 0.00 175.29 174.96 2pum n PRO 367 N -0.85 0.68 -3.00 2.91 -0.02 -1.26 0.44 135.00 133.91 2pum n PRO 367 Ca -0.07 0.24 -0.44 0.00 -2.02 0.00 0.00 63.50 61.22 2pum n PRO 367 Cb 0.55 -1.89 -0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2pum n PRO 367 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 2pum s TRP 368 N 3.91 3.56 0.00 6.00 -0.00 -0.90 -4.73 118.94 126.78 2pum s TRP 368 Ca 1.03 -2.14 0.00 0.00 -0.00 0.00 0.00 56.10 55.00 2pum s TRP 368 Cb -1.23 -4.25 0.00 0.00 -0.00 0.00 0.00 33.47 27.99 2pum s TRP 368 CO 0.70 -1.35 0.00 0.41 -0.00 0.00 0.00 176.95 176.71 2pum n GLY 369 N 4.06 -1.59 0.08 5.86 0.00 -1.26 -4.51 105.19 107.83 2pum n GLY 369 Ca 0.34 -2.07 0.11 0.00 0.00 0.00 0.00 46.02 44.40 2pum n GLY 369 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pum n PRO 370 N 0.00 0.61 -2.55 1.61 -0.04 -1.26 -4.33 135.00 129.04 2pum n PRO 370 Ca 0.00 0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 63.17 2pum n PRO 370 Cb 0.00 -1.73 -0.00 0.00 -0.04 0.00 0.00 33.50 31.73 2pum n PRO 370 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2pum n GLU 371 N -2.52 3.55 0.09 0.54 1.02 -1.26 -4.80 120.64 117.25 2pum n GLU 371 Ca -0.01 -4.47 -0.13 0.00 -0.02 0.00 0.00 57.16 52.53 2pum n GLU 371 Cb 0.55 -2.28 -0.10 0.00 -0.02 0.00 0.00 31.44 29.59 2pum n GLU 371 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pum h ALA 372 N 3.01 0.24 -3.27 0.62 0.00 -1.79 -3.43 119.26 114.63 2pum h ALA 372 Ca 0.33 -0.84 -0.62 0.00 0.00 0.00 0.00 54.91 53.79 2pum h ALA 372 Cb 0.55 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.15 2pum h ALA 372 CO 0.99 0.98 -0.56 -2.00 0.00 0.00 0.00 179.25 178.66 2pum s GLU 373 N -2.84 3.96 0.09 0.00 2.12 -1.26 -1.66 118.70 119.12 2pum s GLU 373 Ca -0.03 -0.34 0.09 0.00 0.36 0.00 0.00 54.97 55.05 2pum s GLU 373 Cb 0.08 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 31.23 2pum s GLU 373 CO 0.86 0.29 -0.23 -0.51 -0.54 0.00 0.00 175.26 175.13 2pum s LEU 374 N 0.32 2.27 0.26 2.70 1.43 0.12 -4.93 118.68 120.85 2pum s LEU 374 Ca 0.03 -0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 52.17 2pum s LEU 374 Cb -0.12 -1.04 -0.09 0.00 0.03 0.00 0.00 46.19 44.97 2pum s LEU 374 CO 0.00 0.13 1.12 -2.84 0.23 0.00 0.00 176.35 174.99 2pum s PRO 375 N -1.76 4.61 0.42 1.29 0.02 -1.26 -0.73 135.00 137.59 2pum s PRO 375 Ca 0.09 1.82 0.18 0.00 0.02 0.00 0.00 61.00 63.12 2pum s PRO 375 Cb -0.10 -3.20 1.10 0.00 0.02 0.00 0.00 34.50 32.32 2pum s PRO 375 CO 0.04 0.15 1.84 1.25 -0.33 0.00 0.00 177.00 179.95 2pum h LEU 376 N 4.13 0.40 -0.98 -5.54 6.46 -0.91 -1.07 115.31 117.79 2pum h LEU 376 Ca -0.46 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 2pum h LEU 376 Cb 1.21 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 2pum h LEU 376 CO 0.68 0.14 0.00 1.12 -0.62 0.00 0.00 178.44 179.77 2pum h HIS 377 N 0.39 0.00 -0.18 1.25 2.07 -1.82 0.11 115.15 116.98 2pum h HIS 377 Ca 0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.01 2pum h HIS 377 Cb 1.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.24 2pum h HIS 377 CO -0.00 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.11 2pum n THR 378 N -2.45 0.23 0.59 6.12 -2.24 -0.41 -3.90 114.28 112.22 2pum n THR 378 Ca 0.01 -0.33 0.07 0.00 -2.27 0.00 0.00 64.05 61.53 2pum n THR 378 Cb 0.23 0.30 0.03 0.00 -2.10 0.00 0.00 70.33 68.79 2pum n THR 378 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2pum n LEU 379 N 0.26 1.85 -4.70 3.22 4.77 0.39 -4.74 117.00 118.06 2pum n LEU 379 Ca 0.15 -0.90 -0.42 0.00 -0.03 0.00 0.00 56.01 54.81 2pum n LEU 379 Cb 0.30 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 2pum n LEU 379 CO 0.12 0.35 1.25 -0.36 -1.33 0.00 0.00 177.39 177.42 2pum s PHE 380 N -1.38 2.66 -1.58 -1.77 0.08 -1.25 -2.59 117.98 112.15 2pum s PHE 380 Ca 0.14 0.51 -0.11 0.00 0.12 0.00 0.00 56.93 57.58 2pum s PHE 380 Cb 0.11 -3.88 0.09 0.00 -0.57 0.00 0.00 43.02 38.78 2pum s PHE 380 CO 0.24 -3.42 0.69 1.19 -0.10 0.00 0.00 175.22 173.82 2pum n PHE 381 N 5.19 -1.80 -3.73 0.36 3.72 -0.90 -4.92 117.46 115.38 2pum n PHE 381 Ca 0.15 0.80 -0.38 0.00 -0.05 0.00 0.00 57.45 57.97 2pum n PHE 381 Cb 0.41 -3.38 -0.11 0.00 -0.94 0.00 0.00 39.48 35.45 2pum n PHE 381 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2pum s ASN 382 N -3.67 5.34 -0.00 4.37 3.84 -1.09 -4.06 114.94 119.67 2pum s ASN 382 Ca 0.48 -1.58 0.15 0.00 0.21 0.00 0.00 52.86 52.11 2pum s ASN 382 Cb -0.26 -1.87 -0.17 0.00 -0.55 0.00 0.00 41.25 38.40 2pum s ASN 382 CO 0.90 -0.46 0.56 0.35 -2.79 0.00 0.00 177.10 175.66 2pum n THR 383 N 4.75 0.00 0.17 -5.21 -2.24 -1.26 -4.18 114.28 106.31 2pum n THR 383 Ca -0.08 -0.19 0.03 0.00 -2.27 0.00 0.00 64.05 61.53 2pum n THR 383 Cb 0.43 0.83 0.29 0.00 -2.10 0.00 0.00 70.33 69.78 2pum n THR 383 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 2pum h TRP 384 N 0.00 0.00 0.00 4.78 5.08 -1.88 -2.09 115.95 121.84 2pum h TRP 384 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2pum h TRP 384 Cb 0.41 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.57 2pum h TRP 384 CO 0.00 0.46 0.00 0.00 -1.28 0.00 0.00 178.44 177.62 2pum h ARG 385 N 0.00 0.00 0.15 0.12 2.47 -1.89 0.61 114.38 115.83 2pum h ARG 385 Ca -0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2pum h ARG 385 Cb 0.93 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.25 2pum h ARG 385 CO 0.06 0.00 -0.07 0.82 0.56 0.00 0.00 179.97 181.34 2pum h ILE 386 N 0.00 0.00 -0.11 2.04 2.04 -1.67 -3.06 117.51 116.75 2pum h ILE 386 Ca 0.00 -0.84 -0.15 0.00 1.00 0.00 0.00 64.86 64.87 2pum h ILE 386 Cb 0.66 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2pum h ILE 386 CO 0.00 0.00 -0.59 0.40 0.00 0.00 0.00 178.15 177.96 2pum h ILE 387 N -1.04 1.36 -0.51 -0.67 2.04 -1.40 -1.92 117.51 115.37 2pum h ILE 387 Ca -0.02 -1.92 -0.21 0.00 1.00 0.00 0.00 64.86 63.71 2pum h ILE 387 Cb 0.15 1.93 -0.13 0.00 -0.74 0.00 0.00 36.82 38.03 2pum h ILE 387 CO 0.03 0.58 0.13 0.29 0.00 0.00 0.00 178.15 179.18 2pum n LYS 388 N -3.90 2.43 -2.89 2.37 4.76 0.21 -4.60 118.16 116.54 2pum n LYS 388 Ca -0.03 -3.07 -0.12 0.00 -2.87 0.00 0.00 58.31 52.22 2pum n LYS 388 Cb 0.62 -1.95 0.04 0.00 -1.84 0.00 0.00 35.03 31.89 2pum n LYS 388 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2pum n ASP 389 N -0.86 -1.46 -0.17 4.39 8.00 -1.13 -4.86 116.55 120.47 2pum n ASP 389 Ca 0.37 -3.36 -0.02 0.00 0.71 0.00 0.00 54.79 52.48 2pum n ASP 389 Cb 1.18 1.06 -0.01 0.00 -0.02 0.00 0.00 41.12 43.33 2pum n ASP 389 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pum n GLY 390 N 0.71 0.55 7.00 0.44 0.00 -1.24 -4.72 105.19 107.93 2pum n GLY 390 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2pum n GLY 390 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pum n GLY 391 N -2.21 -1.12 0.02 -0.02 0.00 -0.74 -4.35 105.19 96.76 2pum n GLY 391 Ca -0.02 -1.24 0.11 0.00 0.00 0.00 0.00 46.02 44.87 2pum n GLY 391 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2pum n ILE 392 N 0.00 0.08 -0.11 -0.61 -5.35 -1.26 -4.39 119.36 107.72 2pum n ILE 392 Ca 0.00 -0.29 -0.05 0.00 -0.27 0.00 0.00 62.75 62.14 2pum n ILE 392 Cb 0.00 0.31 0.01 0.00 -1.74 0.00 0.00 39.64 38.22 2pum n ILE 392 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2pum h ASP 393 N 0.00 -0.49 -0.91 7.28 5.19 -1.98 0.30 116.42 125.82 2pum h ASP 393 Ca 0.00 0.13 0.07 0.00 -0.62 0.00 0.00 57.03 56.61 2pum h ASP 393 Cb 0.79 0.29 -0.06 0.00 0.18 0.00 0.00 39.33 40.53 2pum h ASP 393 CO 0.00 -0.17 0.59 -0.65 -3.12 0.00 0.00 179.24 175.88 2pum h PRO 394 N -0.06 0.97 -0.11 3.56 0.11 -1.77 -1.57 132.00 133.14 2pum h PRO 394 Ca 0.19 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 66.06 2pum h PRO 394 Cb 0.35 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 2pum h PRO 394 CO -0.43 0.64 -0.69 -0.07 -0.21 0.00 0.00 178.00 177.24 2pum h LEU 395 N 1.00 0.56 -1.09 2.35 3.38 -1.50 -2.52 115.31 117.48 2pum h LEU 395 Ca 0.40 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2pum h LEU 395 Cb 0.25 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2pum h LEU 395 CO -0.16 1.08 -0.05 0.58 0.09 0.00 0.00 178.44 179.99 2pum h VAL 396 N 0.34 1.22 -0.06 1.22 2.07 0.10 -0.45 116.25 120.70 2pum h VAL 396 Ca -0.02 -0.93 -0.21 0.00 0.82 0.00 0.00 66.70 66.35 2pum h VAL 396 Cb 1.26 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2pum h VAL 396 CO 0.12 0.32 -0.84 0.03 0.02 0.00 0.00 177.57 177.22 2pum h ARG 397 N 0.54 0.52 -0.96 1.57 3.08 -1.25 -2.62 114.38 115.26 2pum h ARG 397 Ca 0.11 -0.48 0.18 0.00 0.07 0.00 0.00 59.98 59.86 2pum h ARG 397 Cb 0.43 0.12 -0.10 0.00 0.08 0.00 0.00 29.97 30.49 2pum h ARG 397 CO 0.02 1.11 0.56 0.78 -1.07 0.00 0.00 179.97 181.37 2pum h GLY 398 N 1.03 1.68 1.09 0.04 0.00 -1.17 -0.00 103.07 105.73 2pum h GLY 398 Ca -0.06 -0.33 0.06 0.00 0.00 0.00 0.00 47.33 47.00 2pum h GLY 398 CO 0.15 -0.06 0.46 1.41 0.00 0.00 0.00 176.54 178.51 2pum h LEU 399 N 0.72 0.66 0.04 3.11 3.38 -0.71 -1.78 115.31 120.73 2pum h LEU 399 Ca 0.55 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 58.21 2pum h LEU 399 Cb 0.83 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 2pum h LEU 399 CO -0.38 0.43 -1.71 -0.07 0.09 0.00 0.00 178.44 176.80 2pum h LEU 400 N 0.75 0.13 0.00 1.67 3.38 -1.14 -2.43 115.31 117.68 2pum h LEU 400 Ca 0.30 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2pum h LEU 400 Cb 0.22 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2pum h LEU 400 CO -0.10 1.24 -1.22 0.00 0.09 0.00 0.00 178.44 178.45 2pum h ALA 401 N 0.74 0.60 -1.78 1.53 0.00 -0.94 -3.39 119.26 116.02 2pum h ALA 401 Ca -0.29 -0.50 -0.45 0.00 0.00 0.00 0.00 54.91 53.67 2pum h ALA 401 Cb 2.00 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.95 2pum h ALA 401 CO 0.09 0.54 -0.35 0.15 0.00 0.00 0.00 179.25 179.68 2pum s LYS 402 N -3.10 3.04 0.22 0.00 -0.14 -0.68 -4.81 119.74 114.28 2pum s LYS 402 Ca -0.02 -1.07 0.07 0.00 -1.36 0.00 0.00 55.97 53.59 2pum s LYS 402 Cb 0.09 -2.76 -0.04 0.00 -1.68 0.00 0.00 37.83 33.44 2pum s LYS 402 CO 0.80 0.05 0.11 0.15 -0.76 0.00 0.00 175.35 175.70 2pum s LYS 403 N -4.16 2.71 0.97 1.68 1.02 -1.26 -0.68 119.74 120.02 2pum s LYS 403 Ca 0.45 -1.10 -0.12 0.00 0.02 0.00 0.00 55.97 55.22 2pum s LYS 403 Cb -0.09 -2.47 0.17 0.00 -0.52 0.00 0.00 37.83 34.92 2pum s LYS 403 CO 0.31 0.42 1.09 -1.12 -0.92 0.00 0.00 175.35 175.13 2pum s SER 404 N -3.51 2.89 0.16 2.83 0.01 0.40 -4.17 113.70 112.30 2pum s SER 404 Ca 0.31 1.29 -0.23 0.00 1.31 0.00 0.00 55.95 58.63 2pum s SER 404 Cb -0.08 -1.96 -0.08 0.00 0.21 0.00 0.00 66.02 64.11 2pum s SER 404 CO 0.23 -2.98 0.72 -0.75 0.41 0.00 0.00 173.24 170.86 2pum s LYS 405 N -4.95 4.41 -0.06 12.44 2.20 -0.78 -0.47 119.74 132.53 2pum s LYS 405 Ca 0.65 0.99 -0.22 0.00 -0.36 0.00 0.00 55.97 57.03 2pum s LYS 405 Cb -0.18 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 2pum s LYS 405 CO 0.57 0.54 0.65 -1.17 -0.36 0.00 0.00 175.35 175.59 2pum s LEU 406 N -1.34 4.33 0.44 5.43 2.96 -0.20 -4.34 118.68 125.96 2pum s LEU 406 Ca 0.36 1.13 -0.26 0.00 -0.22 0.00 0.00 54.13 55.15 2pum s LEU 406 Cb -0.21 -3.00 -0.09 0.00 0.50 0.00 0.00 46.19 43.39 2pum s LEU 406 CO 0.23 -0.06 1.41 0.80 -1.32 0.00 0.00 176.35 177.41 2pum n MET 407 N 3.59 2.24 -3.65 1.98 0.00 -1.26 -4.91 117.12 115.10 2pum n MET 407 Ca -0.03 0.80 -0.03 0.00 -0.00 0.00 0.00 57.70 58.43 2pum n MET 407 Cb 0.51 -2.59 -0.06 0.00 0.00 0.00 0.00 33.22 31.09 2pum n MET 407 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 2pum s ASN 408 N -0.45 -0.92 0.61 6.12 3.84 -1.24 -5.05 114.94 117.85 2pum s ASN 408 Ca 0.60 1.43 0.28 0.00 0.21 0.00 0.00 52.86 55.38 2pum s ASN 408 Cb -0.46 1.99 1.41 0.00 -0.55 0.00 0.00 41.25 43.63 2pum s ASN 408 CO 0.58 -0.22 1.82 1.56 -2.79 0.00 0.00 177.10 178.05 2pum h GLN 409 N 7.94 0.00 0.02 0.43 4.20 -1.92 -0.88 115.11 124.90 2pum h GLN 409 Ca -0.19 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.17 2pum h GLN 409 Cb 1.11 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.84 2pum h GLN 409 CO 0.11 0.00 -2.12 -0.25 -0.67 0.00 0.00 178.83 175.90 2pum n ASP 410 N -3.50 1.03 -4.05 1.46 8.00 -1.26 -4.80 116.55 113.43 2pum n ASP 410 Ca 0.08 0.14 -0.33 0.00 0.71 0.00 0.00 54.79 55.40 2pum n ASP 410 Cb 0.72 0.06 -0.14 0.00 -0.02 0.00 0.00 41.12 41.74 2pum n ASP 410 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2pum s LYS 411 N -2.54 1.67 -0.18 -1.24 1.02 -0.33 -4.70 119.74 113.44 2pum s LYS 411 Ca -0.15 -1.83 -0.08 0.00 0.02 0.00 0.00 55.97 53.93 2pum s LYS 411 Cb 0.07 -3.30 -0.08 0.00 -0.52 0.00 0.00 37.83 34.00 2pum s LYS 411 CO 0.78 -0.96 -0.22 -0.12 -0.92 0.00 0.00 175.35 173.90 2pum n MET 412 N 4.36 0.39 -3.81 1.68 1.56 -1.10 -3.63 117.12 116.57 2pum n MET 412 Ca 0.01 0.16 -0.14 0.00 -0.27 0.00 0.00 57.70 57.46 2pum n MET 412 Cb 0.42 -1.17 -0.15 0.00 2.15 0.00 0.00 33.22 34.47 2pum n MET 412 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 2pum s VAL 413 N -2.33 -0.03 0.47 1.12 1.01 -0.99 -4.32 120.40 115.33 2pum s VAL 413 Ca -0.25 0.13 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 2pum s VAL 413 Cb 0.09 -0.06 -0.07 0.00 0.00 0.00 0.00 36.38 36.34 2pum s VAL 413 CO 0.33 0.06 1.14 0.28 0.00 0.00 0.00 175.10 176.90 2pum s THR 414 N 0.67 3.23 0.55 3.92 -1.32 -1.26 -4.53 115.64 116.90 2pum s THR 414 Ca -0.06 0.88 0.22 0.00 -1.21 0.00 0.00 61.69 61.53 2pum s THR 414 Cb -0.08 -3.43 0.32 0.00 -1.51 0.00 0.00 72.50 67.80 2pum s THR 414 CO -0.02 -0.05 2.15 0.28 -2.21 0.00 0.00 174.62 174.77 2pum h SER 415 N 1.89 0.00 -0.84 8.08 0.02 -1.95 0.54 113.55 121.29 2pum h SER 415 Ca -0.49 0.00 0.19 0.00 -0.84 0.00 0.00 61.79 60.65 2pum h SER 415 Cb 1.24 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.73 2pum h SER 415 CO 0.60 0.00 0.56 -0.33 -1.14 0.00 0.00 176.83 176.52 2pum h GLU 416 N 0.00 0.33 0.00 3.45 4.39 -1.91 0.60 114.58 121.43 2pum h GLU 416 Ca 0.04 -0.02 -0.25 0.00 0.34 0.00 0.00 59.36 59.48 2pum h GLU 416 Cb 0.20 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.73 2pum h GLU 416 CO -0.00 0.22 -2.15 1.28 -1.16 0.00 0.00 179.01 177.19 2pum n LEU 417 N -4.47 0.00 0.09 1.33 4.77 0.16 -3.53 117.00 115.36 2pum n LEU 417 Ca 0.17 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.28 2pum n LEU 417 Cb 0.68 0.33 0.24 0.00 -2.33 0.00 0.00 43.42 42.34 2pum n LEU 417 CO 0.33 0.33 0.54 -0.09 -1.33 0.00 0.00 177.39 177.16 2pum h ARG 418 N 0.00 0.00 0.00 3.23 2.43 -0.33 -2.25 114.38 117.46 2pum h ARG 418 Ca -0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2pum h ARG 418 Cb 1.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.35 2pum h ARG 418 CO 0.02 0.00 -0.48 0.09 -1.51 0.00 0.00 179.97 178.09 2pum n ASN 419 N -2.25 2.39 -0.25 -3.80 3.02 0.15 -4.11 115.26 110.42 2pum n ASN 419 Ca 0.04 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.67 2pum n ASN 419 Cb 0.45 0.33 0.14 0.00 -0.61 0.00 0.00 39.78 40.08 2pum n ASN 419 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2pum n LYS 420 N -1.03 1.19 -2.25 3.52 4.76 -1.08 -3.46 118.16 119.80 2pum n LYS 420 Ca 0.00 -2.55 -0.41 0.00 -2.87 0.00 0.00 58.31 52.48 2pum n LYS 420 Cb 0.15 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 2pum n LYS 420 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2pum s LEU 421 N -2.60 4.45 -0.23 -0.35 2.96 -0.64 -4.13 118.68 118.13 2pum s LEU 421 Ca 0.30 2.43 -0.10 0.00 -0.22 0.00 0.00 54.13 56.55 2pum s LEU 421 Cb 0.27 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 43.30 2pum s LEU 421 CO 0.00 -0.45 0.13 0.12 -1.32 0.00 0.00 176.35 174.84 2pum s PHE 422 N -0.42 3.27 -0.16 5.38 5.36 -1.26 -1.08 117.98 129.06 2pum s PHE 422 Ca 0.52 0.12 -0.06 0.00 -0.96 0.00 0.00 56.93 56.55 2pum s PHE 422 Cb -0.36 -2.24 -0.04 0.00 -0.34 0.00 0.00 43.02 40.04 2pum s PHE 422 CO 0.42 0.02 0.06 -0.65 -1.46 0.00 0.00 175.22 173.61 2pum s GLN 423 N 1.03 3.77 0.00 10.12 -1.52 -1.26 -4.96 119.66 126.84 2pum s GLN 423 Ca 0.06 -0.33 0.00 0.00 -1.95 0.00 0.00 55.36 53.14 2pum s GLN 423 Cb -0.14 -3.14 0.00 0.00 -0.22 0.00 0.00 33.01 29.51 2pum s GLN 423 CO 0.04 0.39 0.78 -0.35 -0.25 0.00 0.00 175.29 175.90 2pum n PRO 424 N 3.17 0.00 -0.01 2.91 -0.04 -1.26 -1.67 135.00 138.09 2pum n PRO 424 Ca -0.17 0.30 0.03 0.00 -0.04 0.00 0.00 63.50 63.62 2pum n PRO 424 Cb 0.53 -1.53 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 2pum n PRO 424 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2pum n THR 425 N -1.28 0.15 -4.58 0.52 -1.04 -1.26 -4.72 114.28 102.07 2pum n THR 425 Ca 0.00 -0.30 -0.30 0.00 -2.04 0.00 0.00 64.05 61.42 2pum n THR 425 Cb 0.03 0.04 -0.09 0.00 -1.82 0.00 0.00 70.33 68.50 2pum n THR 425 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2pum s HIS 426 N -2.67 2.20 -0.09 -1.42 3.76 -0.67 -5.08 115.29 111.32 2pum s HIS 426 Ca -0.04 -0.79 0.13 0.00 -0.15 0.00 0.00 55.06 54.21 2pum s HIS 426 Cb 0.06 -1.74 -0.24 0.00 1.11 0.00 0.00 32.58 31.78 2pum s HIS 426 CO 0.46 0.27 0.49 1.63 -0.85 0.00 0.00 174.74 176.74 2pum n LYS 427 N -1.17 0.65 -3.53 1.40 5.02 -1.26 -4.61 118.16 114.66 2pum n LYS 427 Ca -0.10 0.21 -0.34 0.00 -2.02 0.00 0.00 58.31 56.06 2pum n LYS 427 Cb 0.67 -1.72 -0.05 0.00 -0.02 0.00 0.00 35.03 33.91 2pum n LYS 427 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2pum s ILE 428 N -2.57 5.04 -0.87 -0.18 -4.36 -1.26 -5.00 121.20 112.00 2pum s ILE 428 Ca -0.07 0.48 -0.25 0.00 -0.26 0.00 0.00 60.65 60.55 2pum s ILE 428 Cb 0.07 -3.66 0.04 0.00 1.25 0.00 0.00 42.46 40.16 2pum s ILE 428 CO 0.82 0.22 1.37 -1.00 0.24 0.00 0.00 174.94 176.60 2pum s HIS 429 N -1.48 2.38 -0.02 1.37 3.76 -1.26 -4.35 115.29 115.68 2pum s HIS 429 Ca 0.36 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.88 2pum s HIS 429 Cb -0.14 -4.65 0.03 0.00 1.11 0.00 0.00 32.58 28.93 2pum s HIS 429 CO 0.19 -2.01 0.55 0.41 -0.85 0.00 0.00 174.74 173.03 2pum n GLY 430 N 6.10 0.04 3.76 -2.22 0.00 -0.38 -4.61 105.19 107.89 2pum n GLY 430 Ca 0.18 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 2pum n GLY 430 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pum s PHE 431 N 0.01 3.04 -0.40 1.61 0.40 -0.24 -4.80 117.98 117.59 2pum s PHE 431 Ca 0.01 -0.07 -0.05 0.00 -0.60 0.00 0.00 56.93 56.22 2pum s PHE 431 Cb 0.03 -1.45 0.10 0.00 0.51 0.00 0.00 43.02 42.21 2pum s PHE 431 CO -0.01 0.52 0.20 0.34 0.70 0.00 0.00 175.22 176.98 2pum s ASP 432 N -3.13 5.33 0.40 1.36 -1.08 -1.26 -1.62 116.67 116.67 2pum s ASP 432 Ca 0.30 -1.82 0.16 0.00 -0.52 0.00 0.00 52.55 50.66 2pum s ASP 432 Cb -0.10 -1.86 1.02 0.00 -1.46 0.00 0.00 42.92 40.53 2pum s ASP 432 CO 0.22 -0.52 1.86 0.25 0.52 0.00 0.00 175.17 177.50 2pum h LEU 433 N 8.15 0.46 0.41 -1.34 5.85 -1.65 0.55 115.31 127.74 2pum h LEU 433 Ca -0.17 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 2pum h LEU 433 Cb 1.06 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2pum h LEU 433 CO 0.70 0.20 -0.20 0.00 -0.34 0.00 0.00 178.44 178.81 2pum h ALA 434 N 1.61 -0.91 -0.79 1.25 0.00 -1.89 0.14 119.26 118.67 2pum h ALA 434 Ca 0.46 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.42 2pum h ALA 434 Cb 1.06 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.91 2pum h ALA 434 CO -0.19 -0.87 -0.12 0.00 0.00 0.00 0.00 179.25 178.07 2pum h ALA 435 N -1.62 0.64 0.30 0.00 0.00 -1.76 0.98 119.26 117.80 2pum h ALA 435 Ca -0.06 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2pum h ALA 435 Cb 0.42 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2pum h ALA 435 CO 0.09 -0.42 -0.47 0.82 0.00 0.00 0.00 179.25 179.26 2pum h ILE 436 N 0.03 0.00 -0.88 0.00 2.04 -0.82 0.71 117.51 118.59 2pum h ILE 436 Ca 0.40 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.46 2pum h ILE 436 Cb 0.66 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.63 2pum h ILE 436 CO -0.78 0.00 0.40 0.78 0.00 0.00 0.00 178.15 178.56 2pum h ASN 437 N -0.82 0.39 -0.48 1.72 -0.26 -0.15 0.36 115.58 116.34 2pum h ASN 437 Ca -0.03 0.13 -0.06 0.00 -0.56 0.00 0.00 56.30 55.78 2pum h ASN 437 Cb 0.75 0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 38.09 2pum h ASN 437 CO -0.15 0.07 0.06 -0.07 -1.06 0.00 0.00 177.43 176.28 2pum h LEU 438 N 0.47 0.78 -1.73 1.61 3.38 0.18 -2.25 115.31 117.75 2pum h LEU 438 Ca 0.53 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 2pum h LEU 438 Cb 0.93 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 2pum h LEU 438 CO -0.47 0.85 -0.15 -0.61 0.09 0.00 0.00 178.44 178.15 2pum h GLN 439 N 0.67 0.00 0.00 1.13 5.75 0.21 -2.31 115.11 120.56 2pum h GLN 439 Ca 0.14 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.57 2pum h GLN 439 Cb 0.42 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 2pum h GLN 439 CO 0.01 0.15 -0.34 -0.09 -2.65 0.00 0.00 178.83 175.91 2pum h ARG 440 N 0.00 0.00 -0.50 1.69 9.65 0.05 -1.20 114.38 124.07 2pum h ARG 440 Ca -0.00 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.80 2pum h ARG 440 Cb 0.26 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 2pum h ARG 440 CO 0.02 0.34 -0.00 0.00 2.80 0.00 0.00 179.97 183.12 2pum h ARG 442 N 0.75 0.94 -0.98 0.00 3.08 -1.41 -2.55 114.38 114.21 2pum h ARG 442 Ca 0.14 -0.42 0.04 0.00 0.07 0.00 0.00 59.98 59.82 2pum h ARG 442 Cb 0.52 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 2pum h ARG 442 CO 0.03 1.08 0.64 0.22 -1.07 0.00 0.00 179.97 180.86 2pum h ASP 443 N 0.78 1.05 -0.22 7.04 3.58 -1.10 -2.42 116.42 125.13 2pum h ASP 443 Ca 0.10 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2pum h ASP 443 Cb 0.80 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2pum h ASP 443 CO 0.07 0.71 0.00 1.41 -2.88 0.00 0.00 179.24 178.55 2pum n HIS 444 N -4.45 0.30 -2.81 0.28 8.25 -0.88 -4.88 115.22 111.02 2pum n HIS 444 Ca 0.13 -0.15 -0.20 0.00 -0.26 0.00 0.00 57.72 57.24 2pum n HIS 444 Cb 0.11 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.23 2pum n HIS 444 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pum n GLY 445 N 0.87 -0.51 3.77 -1.41 0.00 -0.91 -4.84 105.19 102.15 2pum n GLY 445 Ca 0.08 0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2pum n GLY 445 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pum s MET 446 N -5.46 4.16 0.76 1.61 -1.94 -0.98 0.49 119.30 117.94 2pum s MET 446 Ca 0.18 2.51 -0.15 0.00 -1.71 0.00 0.00 55.69 56.52 2pum s MET 446 Cb -0.09 -3.01 0.05 0.00 2.01 0.00 0.00 34.83 33.79 2pum s MET 446 CO 0.23 -0.51 1.20 -2.30 -0.01 0.00 0.00 175.02 173.63 2pum n PRO 447 N 1.24 0.45 -0.57 2.03 -0.02 -1.26 -4.58 135.00 132.28 2pum n PRO 447 Ca 0.04 0.22 -0.12 0.00 -2.02 0.00 0.00 63.50 61.62 2pum n PRO 447 Cb 0.39 -2.44 0.10 0.00 -0.02 0.00 0.00 33.50 31.52 2pum n PRO 447 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pum n GLY 448 N 0.70 -2.08 0.27 -1.23 0.00 -1.26 -4.52 105.19 97.06 2pum n GLY 448 Ca 0.14 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 2pum n GLY 448 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2pum h TYR 449 N -1.75 1.14 0.00 1.61 3.20 -1.39 -2.96 116.97 116.82 2pum h TYR 449 Ca -0.17 -0.32 -0.07 0.00 3.14 0.00 0.00 58.73 61.31 2pum h TYR 449 Cb 0.51 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 2pum h TYR 449 CO 0.00 1.15 -0.33 -0.91 -1.64 0.00 0.00 178.16 176.43 2pum h ASN 450 N 0.81 0.00 -0.39 -2.11 2.35 -1.80 -1.16 115.58 113.29 2pum h ASN 450 Ca 0.08 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 2pum h ASN 450 Cb 0.91 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.26 2pum h ASN 450 CO 0.08 0.33 0.08 0.28 -1.65 0.00 0.00 177.43 176.56 2pum h SER 451 N 0.00 0.66 0.78 5.81 0.02 -1.85 -1.27 113.55 117.70 2pum h SER 451 Ca -0.00 -0.12 -0.24 0.00 -0.84 0.00 0.00 61.79 60.58 2pum h SER 451 Cb 0.71 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2pum h SER 451 CO 0.04 0.68 -1.12 -0.50 -1.14 0.00 0.00 176.83 174.79 2pum h TRP 452 N 0.68 0.28 -0.72 3.45 4.06 -1.33 -1.28 115.95 121.10 2pum h TRP 452 Ca 0.15 -0.20 -0.07 0.00 2.06 0.00 0.00 58.89 60.83 2pum h TRP 452 Cb 0.31 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.42 2pum h TRP 452 CO 0.01 1.15 0.19 0.00 -3.56 0.00 0.00 178.44 176.24 2pum h ARG 453 N 0.05 1.14 -0.01 0.49 2.47 -1.06 -1.64 114.38 115.81 2pum h ARG 453 Ca -0.08 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 2pum h ARG 453 Cb 1.86 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 30.02 2pum h ARG 453 CO 0.17 0.99 -0.02 0.78 0.56 0.00 0.00 179.97 182.45 2pum h GLY 454 N 1.08 -0.01 0.45 0.04 0.00 -1.16 1.01 103.07 104.47 2pum h GLY 454 Ca 0.23 0.02 0.12 0.00 0.00 0.00 0.00 47.33 47.71 2pum h GLY 454 CO -0.00 -0.02 0.63 -2.75 0.00 0.00 0.00 176.54 174.40 2pum h PHE 455 N -0.03 1.14 -0.38 5.60 3.57 -1.03 0.60 116.94 126.42 2pum h PHE 455 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2pum h PHE 455 Cb 0.05 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.43 2pum h PHE 455 CO -0.10 0.44 0.00 0.00 -2.23 0.00 0.00 178.31 176.42 2pum n GLY 457 N 0.53 -0.52 3.57 0.00 0.00 0.20 -4.99 105.19 103.98 2pum n GLY 457 Ca 0.17 0.13 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 2pum n GLY 457 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pum s LEU 458 N -6.68 2.97 0.61 0.99 1.43 0.35 -4.99 118.68 113.37 2pum s LEU 458 Ca 0.31 -0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 52.73 2pum s LEU 458 Cb -0.14 -1.71 -0.07 0.00 0.03 0.00 0.00 46.19 44.30 2pum s LEU 458 CO 0.38 0.14 0.58 -1.54 0.23 0.00 0.00 176.35 176.14 2pum n SER 459 N 0.34 -0.86 -3.95 2.29 3.41 -1.26 -3.70 113.62 109.89 2pum n SER 459 Ca -0.12 0.71 -0.30 0.00 -0.26 0.00 0.00 58.87 58.89 2pum n SER 459 Cb 0.54 -1.21 -0.15 0.00 -0.26 0.00 0.00 64.21 63.14 2pum n SER 459 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2pum s GLN 460 N -2.32 1.55 0.42 4.33 -0.21 -1.26 -4.79 119.66 117.37 2pum s GLN 460 Ca 0.69 -2.04 -0.26 0.00 0.02 0.00 0.00 55.36 53.77 2pum s GLN 460 Cb -0.42 -3.06 -0.09 0.00 1.00 0.00 0.00 33.01 30.45 2pum s GLN 460 CO 0.54 -1.01 1.32 -1.25 -2.12 0.00 0.00 175.29 172.77 2pum s PRO 461 N 0.56 3.90 0.00 2.91 0.04 -1.26 -4.92 135.00 136.22 2pum s PRO 461 Ca 0.13 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2pum s PRO 461 Cb -0.21 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2pum s PRO 461 CO -0.07 -0.56 0.50 1.63 0.04 0.00 0.00 177.00 178.55 2pum n LYS 462 N 0.04 -0.15 -4.07 4.56 4.76 -1.26 -4.65 118.16 117.39 2pum n LYS 462 Ca 0.04 -0.58 -0.07 0.00 -2.87 0.00 0.00 58.31 54.83 2pum n LYS 462 Cb 0.43 -0.90 -0.10 0.00 -1.84 0.00 0.00 35.03 32.63 2pum n LYS 462 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2pum s THR 463 N -0.16 0.21 0.21 -0.18 -4.23 -1.26 -4.83 115.64 105.40 2pum s THR 463 Ca 0.00 -1.75 -0.13 0.00 -1.18 0.00 0.00 61.69 58.63 2pum s THR 463 Cb 0.00 -1.53 0.22 0.00 1.34 0.00 0.00 72.50 72.53 2pum s THR 463 CO 0.00 -0.93 1.64 0.25 -0.54 0.00 0.00 174.62 175.04 2pum h LEU 464 N 3.09 -0.48 -0.61 4.79 6.46 -1.97 0.24 115.31 126.83 2pum h LEU 464 Ca -0.34 0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.57 2pum h LEU 464 Cb 1.15 0.35 -0.03 0.00 -0.73 0.00 0.00 40.66 41.40 2pum h LEU 464 CO 0.65 -0.18 0.27 0.11 -0.62 0.00 0.00 178.44 178.67 2pum h LYS 465 N 0.03 0.90 -0.52 1.25 1.79 -1.98 -0.48 116.57 117.57 2pum h LYS 465 Ca 0.31 -0.15 0.09 0.00 -2.18 0.00 0.00 60.65 58.72 2pum h LYS 465 Cb 0.48 -0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 30.91 2pum h LYS 465 CO -0.60 0.75 0.09 0.78 -1.08 0.00 0.00 179.45 179.39 2pum h GLY 466 N 0.85 0.62 1.36 3.86 0.00 -1.31 -2.75 103.07 105.71 2pum h GLY 466 Ca 0.21 -0.02 -0.11 0.00 0.00 0.00 0.00 47.33 47.41 2pum h GLY 466 CO -0.02 -0.08 -0.22 -2.00 0.00 0.00 0.00 176.54 174.21 2pum h LEU 467 N 0.23 0.74 -1.05 3.11 5.85 0.75 -2.39 115.31 122.55 2pum h LEU 467 Ca 0.26 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2pum h LEU 467 Cb 0.36 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2pum h LEU 467 CO -0.35 0.95 0.22 1.56 -0.34 0.00 0.00 178.44 180.48 2pum h GLN 468 N 0.64 0.90 -0.16 1.25 4.20 -0.95 0.23 115.11 121.22 2pum h GLN 468 Ca 0.09 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 2pum h GLN 468 Cb 0.72 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 2pum h GLN 468 CO 0.06 0.75 -0.20 1.15 -0.67 0.00 0.00 178.83 179.91 2pum h THR 469 N 0.88 1.35 0.59 -0.54 2.02 -1.15 1.34 112.91 117.39 2pum h THR 469 Ca 0.20 -1.40 -0.03 0.00 0.77 0.00 0.00 66.41 65.95 2pum h THR 469 Cb 0.21 1.89 0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2pum h THR 469 CO -0.01 0.42 -0.28 0.58 0.37 0.00 0.00 175.52 176.59 2pum h VAL 470 N 0.05 0.00 0.00 3.16 2.07 -1.31 -3.18 116.25 117.04 2pum h VAL 470 Ca 0.02 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2pum h VAL 470 Cb 0.76 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2pum h VAL 470 CO 0.05 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.57 2pum h LEU 471 N -0.87 0.00 -0.96 2.57 4.07 -0.54 -3.44 115.31 116.14 2pum h LEU 471 Ca -0.08 0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.48 2pum h LEU 471 Cb 0.61 0.00 0.12 0.00 1.08 0.00 0.00 40.66 42.47 2pum h LEU 471 CO 0.13 0.00 -0.70 0.29 -1.08 0.00 0.00 178.44 177.08 2pum n LYS 472 N -2.99 -7.54 -3.15 1.13 5.02 0.45 -4.35 118.16 106.73 2pum n LYS 472 Ca -0.01 0.80 0.04 0.00 -2.02 0.00 0.00 58.31 57.12 2pum n LYS 472 Cb 0.15 -5.83 -0.01 0.00 -0.02 0.00 0.00 35.03 29.32 2pum n LYS 472 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2pum s ASN 473 N -3.45 -1.31 0.06 4.39 3.84 -0.96 -5.03 114.94 112.50 2pum s ASN 473 Ca 0.53 0.77 -0.31 0.00 0.21 0.00 0.00 52.86 54.05 2pum s ASN 473 Cb -0.24 2.08 -0.18 0.00 -0.55 0.00 0.00 41.25 42.36 2pum s ASN 473 CO 0.74 -0.24 1.56 0.11 -2.79 0.00 0.00 177.10 176.48 2pum h LYS 474 N 7.99 -0.80 0.12 0.43 1.57 -1.94 -2.02 116.57 121.92 2pum h LYS 474 Ca -0.20 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2pum h LYS 474 Cb 1.16 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.61 2pum h LYS 474 CO 0.21 -0.51 -0.47 0.82 -0.57 0.00 0.00 179.45 178.94 2pum h ILE 475 N -0.88 0.00 -0.54 1.86 2.04 -2.00 -1.55 117.51 116.45 2pum h ILE 475 Ca -0.08 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.87 2pum h ILE 475 Cb 0.65 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.65 2pum h ILE 475 CO 0.14 0.00 0.09 0.25 0.00 0.00 0.00 178.15 178.63 2pum h LEU 476 N -0.67 -0.04 -2.03 1.44 5.85 -1.95 -0.83 115.31 117.09 2pum h LEU 476 Ca -0.01 0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.90 2pum h LEU 476 Cb 0.67 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2pum h LEU 476 CO -0.25 -0.00 0.21 0.00 -0.34 0.00 0.00 178.44 178.06 2pum h ALA 477 N 1.44 2.22 0.00 1.25 0.00 -0.71 -2.13 119.26 121.33 2pum h ALA 477 Ca 0.28 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.96 2pum h ALA 477 Cb 0.40 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2pum h ALA 477 CO -0.38 -0.35 -1.16 1.57 0.00 0.00 0.00 179.25 178.93 2pum h LYS 478 N 0.00 0.00 -0.45 0.00 2.10 -0.18 -2.85 116.57 115.19 2pum h LYS 478 Ca 0.13 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.72 2pum h LYS 478 Cb 0.55 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.86 2pum h LYS 478 CO -0.00 0.79 0.06 0.87 -2.00 0.00 0.00 179.45 179.17 2pum h LYS 479 N 0.00 0.76 -0.70 0.07 1.57 -1.05 -1.20 116.57 116.02 2pum h LYS 479 Ca -0.09 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 2pum h LYS 479 Cb 1.79 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.99 2pum h LYS 479 CO 0.11 0.79 0.26 -0.07 -0.57 0.00 0.00 179.45 179.97 2pum h LEU 480 N 0.62 0.97 -0.21 2.94 4.07 -1.42 -2.37 115.31 119.90 2pum h LEU 480 Ca 0.14 -0.15 -0.22 0.00 0.08 0.00 0.00 57.88 57.73 2pum h LEU 480 Cb 0.41 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.90 2pum h LEU 480 CO 0.01 0.87 -0.88 0.24 -1.08 0.00 0.00 178.44 177.61 2pum h MET 481 N 1.02 0.49 -0.72 1.13 2.86 -1.24 0.31 114.93 118.78 2pum h MET 481 Ca 0.23 -0.47 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 2pum h MET 481 Cb 0.22 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 2pum h MET 481 CO -0.02 1.11 0.35 -0.44 1.06 0.00 0.00 176.91 178.98 2pum h ASP 482 N 0.30 0.92 0.28 1.22 3.32 -1.17 0.79 116.42 122.09 2pum h ASP 482 Ca -0.07 -0.10 -0.34 0.00 0.02 0.00 0.00 57.03 56.55 2pum h ASP 482 Cb 1.50 -0.24 0.02 0.00 0.22 0.00 0.00 39.33 40.83 2pum h ASP 482 CO 0.16 0.78 -1.59 -0.07 -1.72 0.00 0.00 179.24 176.79 2pum h LEU 483 N 1.02 0.66 0.00 1.55 3.38 -1.12 -3.40 115.31 117.40 2pum h LEU 483 Ca 0.25 -0.84 -0.29 0.00 0.09 0.00 0.00 57.88 57.09 2pum h LEU 483 Cb 0.10 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 2pum h LEU 483 CO -0.03 1.69 -2.08 -1.22 0.09 0.00 0.00 178.44 176.88 2pum n TYR 484 N -3.61 0.00 -0.10 1.13 4.02 0.11 -4.03 117.16 114.67 2pum n TYR 484 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.69 2pum n TYR 484 Cb 1.08 -0.77 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 2pum n TYR 484 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2pum n LYS 485 N -2.63 0.00 -3.63 -0.72 4.76 0.27 -4.81 118.16 111.40 2pum n LYS 485 Ca -0.27 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.05 2pum n LYS 485 Cb 1.00 -2.42 -0.07 0.00 -1.84 0.00 0.00 35.03 31.70 2pum n LYS 485 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2pum s THR 486 N -2.43 0.00 0.50 -0.18 -1.32 -1.26 -5.03 115.64 105.92 2pum s THR 486 Ca 0.00 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.64 2pum s THR 486 Cb 0.00 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.28 2pum s THR 486 CO 0.00 0.00 2.10 -0.65 -2.21 0.00 0.00 174.62 173.86 2pum h PRO 487 N 5.11 0.11 -0.21 7.08 0.11 -1.88 -1.00 132.00 141.32 2pum h PRO 487 Ca -0.29 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.87 2pum h PRO 487 Cb 1.17 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2pum h PRO 487 CO 0.07 0.07 0.27 -0.44 -0.21 0.00 0.00 178.00 177.77 2pum h ASP 488 N 0.11 0.00 0.17 -2.05 3.32 -1.96 -1.81 116.42 114.20 2pum h ASP 488 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2pum h ASP 488 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2pum h ASP 488 CO -0.01 0.00 -0.34 0.59 -1.72 0.00 0.00 179.24 177.76 2pum n ASN 489 N -3.62 1.30 -4.65 6.45 4.13 -0.38 -3.87 115.26 114.62 2pum n ASN 489 Ca 0.02 -1.06 -0.42 0.00 1.68 0.00 0.00 54.58 54.80 2pum n ASN 489 Cb 0.40 0.25 -0.03 0.00 -1.54 0.00 0.00 39.78 38.86 2pum n ASN 489 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2pum s ILE 490 N -2.51 3.20 0.24 2.41 1.01 -0.68 -4.84 121.20 120.02 2pum s ILE 490 Ca 0.22 0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.79 2pum s ILE 490 Cb 0.19 -3.17 -0.13 0.00 0.01 0.00 0.00 42.46 39.36 2pum s ILE 490 CO 0.54 -0.04 1.49 0.47 0.00 0.00 0.00 174.94 177.40 2pum n ASP 491 N 8.14 3.09 -0.30 3.58 8.00 -1.26 -1.55 116.55 136.26 2pum n ASP 491 Ca 0.21 1.13 0.05 0.00 0.71 0.00 0.00 54.79 56.89 2pum n ASP 491 Cb 0.42 -1.47 0.20 0.00 -0.02 0.00 0.00 41.12 40.26 2pum n ASP 491 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2pum h ILE 492 N 3.24 0.82 -0.84 0.53 6.09 -1.88 0.09 117.51 125.56 2pum h ILE 492 Ca -0.45 -0.25 0.09 0.00 -1.37 0.00 0.00 64.86 62.87 2pum h ILE 492 Cb 1.26 0.04 -0.07 0.00 0.47 0.00 0.00 36.82 38.51 2pum h ILE 492 CO 0.79 0.13 0.49 -0.25 -3.07 0.00 0.00 178.15 176.25 2pum h TRP 493 N 0.72 0.90 0.00 2.19 7.01 -1.89 0.47 115.95 125.35 2pum h TRP 493 Ca 0.44 0.03 -0.24 0.00 2.11 0.00 0.00 58.89 61.22 2pum h TRP 493 Cb 0.52 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 27.25 2pum h TRP 493 CO -0.07 0.39 -1.64 1.51 -2.79 0.00 0.00 178.44 175.84 2pum n ILE 494 N -4.71 1.39 0.08 2.65 3.06 -0.74 -2.52 119.36 118.58 2pum n ILE 494 Ca 0.13 -0.75 -0.13 0.00 -2.50 0.00 0.00 62.75 59.50 2pum n ILE 494 Cb 0.25 -0.86 -0.07 0.00 0.54 0.00 0.00 39.64 39.50 2pum n ILE 494 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 2pum h GLY 495 N 3.64 -0.13 1.02 4.50 0.00 -0.75 -1.68 103.07 109.67 2pum h GLY 495 Ca -0.25 0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 2pum h GLY 495 CO 0.06 -0.05 0.56 -1.33 0.00 0.00 0.00 176.54 175.78 2pum h GLY 496 N -0.15 1.32 1.87 4.60 0.00 -0.14 -2.81 103.07 107.77 2pum h GLY 496 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2pum h GLY 496 CO 0.02 0.53 -0.13 3.43 0.00 0.00 0.00 176.54 180.39 2pum h ASN 497 N 1.26 0.00 0.74 0.19 4.21 -1.46 -3.26 115.58 117.26 2pum h ASN 497 Ca 0.33 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.84 2pum h ASN 497 Cb -0.07 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.13 2pum h ASN 497 CO -0.06 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.08 2pum n ALA 498 N -2.07 1.99 -1.79 -0.83 0.00 -0.64 -4.84 120.51 112.33 2pum n ALA 498 Ca 0.04 -0.07 -0.36 0.00 0.00 0.00 0.00 53.44 53.04 2pum n ALA 498 Cb 0.52 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 2pum n ALA 498 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2pum s GLU 499 N -3.00 4.41 1.04 0.00 2.02 -1.23 -4.87 118.70 117.07 2pum s GLU 499 Ca 0.10 1.31 -0.12 0.00 0.02 0.00 0.00 54.97 56.29 2pum s GLU 499 Cb 0.14 -2.59 0.21 0.00 0.10 0.00 0.00 34.13 32.00 2pum s GLU 499 CO 0.39 0.12 1.07 -2.14 0.02 0.00 0.00 175.26 174.72 2pum s PRO 500 N -2.43 0.07 0.29 0.39 0.02 -1.26 -4.39 135.00 127.68 2pum s PRO 500 Ca 0.55 0.93 -0.18 0.00 0.02 0.00 0.00 61.00 62.31 2pum s PRO 500 Cb -0.17 -1.66 -0.09 0.00 0.02 0.00 0.00 34.50 32.60 2pum s PRO 500 CO 0.22 -3.09 0.76 -1.64 -0.33 0.00 0.00 177.00 172.93 2pum s MET 501 N -4.66 4.18 0.87 5.54 -1.94 -1.26 -3.71 119.30 118.31 2pum s MET 501 Ca 0.67 0.85 -0.12 0.00 -1.71 0.00 0.00 55.69 55.37 2pum s MET 501 Cb -0.22 -2.64 0.11 0.00 2.01 0.00 0.00 34.83 34.09 2pum s MET 501 CO 0.61 0.26 1.10 0.14 -0.01 0.00 0.00 175.02 177.11 2pum s VAL 502 N -1.77 2.67 0.08 -6.03 -7.23 -0.92 -4.91 120.40 102.29 2pum s VAL 502 Ca 0.50 0.22 -0.31 0.00 -1.81 0.00 0.00 61.98 60.58 2pum s VAL 502 Cb -0.14 -2.84 -0.08 0.00 0.56 0.00 0.00 36.38 33.88 2pum s VAL 502 CO 0.19 -0.29 1.62 -0.70 -0.31 0.00 0.00 175.10 175.62 2pum s GLU 503 N -5.07 4.21 0.00 4.82 2.12 -1.26 -2.15 118.70 121.37 2pum s GLU 503 Ca 0.63 2.31 0.00 0.00 0.36 0.00 0.00 54.97 58.27 2pum s GLU 503 Cb -0.16 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 30.69 2pum s GLU 503 CO 0.55 -0.71 0.00 0.54 -0.54 0.00 0.00 175.26 175.11 2pum n ARG 504 N 5.36 -0.57 -1.50 4.30 5.12 -1.26 -0.88 116.66 127.22 2pum n ARG 504 Ca 0.15 0.14 -0.02 0.00 -1.93 0.00 0.00 57.85 56.20 2pum n ARG 504 Cb 0.40 -3.89 0.00 0.00 -1.16 0.00 0.00 32.46 27.82 2pum n ARG 504 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2pum n GLY 505 N -1.36 2.62 0.05 -0.13 0.00 -0.91 -4.14 105.19 101.32 2pum n GLY 505 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.86 2pum n GLY 505 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pum n ARG 506 N -0.80 0.88 -4.19 1.61 5.12 0.71 -4.77 116.66 115.22 2pum n ARG 506 Ca 0.00 -0.91 -0.11 0.00 -1.93 0.00 0.00 57.85 54.90 2pum n ARG 506 Cb 0.05 -0.68 -0.10 0.00 -1.16 0.00 0.00 32.46 30.57 2pum n ARG 506 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2pum s VAL 507 N -0.40 0.75 0.61 1.55 -7.23 -1.24 -4.94 120.40 109.49 2pum s VAL 507 Ca 0.01 -1.96 -0.08 0.00 -1.81 0.00 0.00 61.98 58.14 2pum s VAL 507 Cb 0.01 -1.77 0.14 0.00 0.56 0.00 0.00 36.38 35.32 2pum s VAL 507 CO 0.00 -0.79 0.83 0.61 -0.31 0.00 0.00 175.10 175.44 2pum n GLY 508 N -0.09 -0.91 0.31 2.32 0.00 -1.24 -2.15 105.19 103.42 2pum n GLY 508 Ca -0.11 -1.77 0.03 0.00 0.00 0.00 0.00 46.02 44.17 2pum n GLY 508 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2pum h PRO 509 N 0.00 0.77 0.23 1.61 0.11 -1.92 -0.68 132.00 132.12 2pum h PRO 509 Ca -0.27 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 2pum h PRO 509 Cb 0.79 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.73 2pum h PRO 509 CO 0.21 0.51 -0.11 1.25 -0.21 0.00 0.00 178.00 179.65 2pum h LEU 510 N 0.80 -0.26 -0.70 2.35 5.85 -1.94 -2.21 115.31 119.19 2pum h LEU 510 Ca 0.39 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.99 2pum h LEU 510 Cb 0.35 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 2pum h LEU 510 CO -0.24 0.04 0.41 -0.07 -0.34 0.00 0.00 178.44 178.23 2pum h LEU 511 N -0.58 0.62 -1.34 2.25 4.07 -1.79 -2.11 115.31 116.44 2pum h LEU 511 Ca -0.03 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 2pum h LEU 511 Cb 0.42 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.03 2pum h LEU 511 CO 0.05 0.41 0.31 0.00 -1.08 0.00 0.00 178.44 178.13 2pum h ALA 512 N 1.34 1.50 0.04 1.53 0.00 -1.02 0.64 119.26 123.29 2pum h ALA 512 Ca 0.30 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2pum h ALA 512 Cb 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2pum h ALA 512 CO -0.16 0.42 -0.02 0.00 0.00 0.00 0.00 179.25 179.48 2pum h LEU 514 N -0.42 -0.45 -0.08 0.00 3.38 -0.70 -0.02 115.31 117.01 2pum h LEU 514 Ca -0.01 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.91 2pum h LEU 514 Cb 0.38 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 2pum h LEU 514 CO 0.01 -0.16 -0.37 -0.07 0.09 0.00 0.00 178.44 177.94 2pum h LEU 515 N -0.75 -1.13 -0.35 1.67 3.38 0.13 -2.69 115.31 115.57 2pum h LEU 515 Ca -0.05 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2pum h LEU 515 Cb 0.52 0.46 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 2pum h LEU 515 CO 0.09 -0.40 -0.43 1.23 0.09 0.00 0.00 178.44 179.01 2pum h GLY 516 N -0.47 -0.61 0.54 0.83 0.00 -0.61 -2.25 103.07 100.49 2pum h GLY 516 Ca 0.08 0.55 0.06 0.00 0.00 0.00 0.00 47.33 48.01 2pum h GLY 516 CO -0.34 -0.19 0.09 3.21 0.00 0.00 0.00 176.54 179.31 2pum h ARG 517 N -0.36 0.21 -0.25 4.80 3.08 -0.94 -1.57 114.38 119.34 2pum h ARG 517 Ca 0.12 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.22 2pum h ARG 517 Cb 0.59 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.54 2pum h ARG 517 CO -0.54 0.14 -0.11 0.37 -1.07 0.00 0.00 179.97 178.76 2pum h GLN 518 N 0.22 -0.07 -0.60 0.04 5.75 -1.12 -1.66 115.11 117.67 2pum h GLN 518 Ca 0.19 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.64 2pum h GLN 518 Cb 0.22 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 2pum h GLN 518 CO -0.24 -0.05 0.16 0.74 -2.65 0.00 0.00 178.83 176.79 2pum h PHE 519 N -0.07 1.00 -0.52 3.99 0.04 -1.17 0.14 116.94 120.34 2pum h PHE 519 Ca 0.13 -0.11 0.10 0.00 2.80 0.00 0.00 57.97 60.88 2pum h PHE 519 Cb 0.27 -0.28 -0.08 0.00 2.20 0.00 0.00 35.95 38.06 2pum h PHE 519 CO -0.29 0.84 0.08 0.37 -0.60 0.00 0.00 178.31 178.71 2pum h GLN 520 N 0.87 0.20 -0.32 1.51 -0.00 -1.11 -1.31 115.11 114.95 2pum h GLN 520 Ca 0.19 -0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.72 2pum h GLN 520 Cb 0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 2pum h GLN 520 CO -0.00 0.13 -0.23 1.96 0.00 0.00 0.00 178.83 180.69 2pum h GLN 521 N 0.21 0.72 0.00 1.69 4.20 -0.40 0.13 115.11 121.66 2pum h GLN 521 Ca 0.27 -0.35 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 2pum h GLN 521 Cb 0.38 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2pum h GLN 521 CO -0.37 0.96 -0.29 -0.84 -0.67 0.00 0.00 178.83 177.62 2pum h ILE 522 N 0.48 1.07 0.08 2.54 3.07 -0.43 0.17 117.51 124.49 2pum h ILE 522 Ca 0.06 -1.03 -0.13 0.00 1.55 0.00 0.00 64.86 65.31 2pum h ILE 522 Cb 0.79 1.58 0.01 0.00 -0.27 0.00 0.00 36.82 38.93 2pum h ILE 522 CO 0.06 0.28 -0.57 -0.09 -1.05 0.00 0.00 178.15 176.79 2pum h ARG 523 N 0.00 0.24 0.00 0.16 1.12 -1.10 -3.22 114.38 111.58 2pum h ARG 523 Ca -0.00 -0.37 -0.02 0.00 -1.11 0.00 0.00 59.98 58.48 2pum h ARG 523 Cb 0.55 0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 30.64 2pum h ARG 523 CO 0.04 1.14 -0.10 -0.44 -3.11 0.00 0.00 179.97 177.51 2pum h ASP 524 N -0.47 0.00 -0.16 -3.80 3.32 -0.50 -2.83 116.42 111.98 2pum h ASP 524 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2pum h ASP 524 Cb 1.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 2pum h ASP 524 CO 0.11 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.33 2pum n GLY 525 N 0.19 0.78 3.48 2.75 0.00 0.56 -1.29 105.19 111.67 2pum n GLY 525 Ca 0.01 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 2pum n GLY 525 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pum s ASP 526 N -1.73 5.97 0.60 1.61 2.15 -1.07 -4.72 116.67 119.47 2pum s ASP 526 Ca 0.34 -0.65 0.35 0.00 0.43 0.00 0.00 52.55 53.02 2pum s ASP 526 Cb 0.20 -2.11 1.89 0.00 -0.30 0.00 0.00 42.92 42.60 2pum s ASP 526 CO 0.30 -0.31 2.22 -0.09 -0.17 0.00 0.00 175.17 177.11 2pum h ARG 527 N 8.51 0.00 -0.42 4.34 2.43 -1.89 -2.12 114.38 125.23 2pum h ARG 527 Ca -0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2pum h ARG 527 Cb 1.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2pum h ARG 527 CO 0.66 0.03 0.00 1.19 -1.51 0.00 0.00 179.97 180.35 2pum n PHE 528 N -3.43 1.02 -1.63 2.20 3.01 -1.26 -4.91 117.46 112.46 2pum n PHE 528 Ca -0.02 -0.68 -0.48 0.00 1.01 0.00 0.00 57.45 57.28 2pum n PHE 528 Cb 0.15 -0.22 -0.04 0.00 -0.01 0.00 0.00 39.48 39.35 2pum n PHE 528 CO 0.00 0.00 0.00 1.87 1.01 0.00 0.00 176.76 179.64 2pum n TRP 529 N 0.32 1.88 -0.15 1.38 -0.00 -0.80 -4.85 117.44 115.23 2pum n TRP 529 Ca 0.20 0.47 0.19 0.00 -0.00 0.00 0.00 57.50 58.37 2pum n TRP 529 Cb 0.77 -2.42 0.58 0.00 -0.00 0.00 0.00 31.31 30.24 2pum n TRP 529 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 177.69 177.80 2pum h TRP 530 N 4.81 0.32 -0.00 5.87 5.08 -1.93 0.54 115.95 130.64 2pum h TRP 530 Ca -0.46 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.52 2pum h TRP 530 Cb 1.30 -0.10 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 2pum h TRP 530 CO 0.59 0.11 -0.09 0.39 -1.28 0.00 0.00 178.44 178.16 2pum n GLU 531 N -4.43 0.27 -1.83 0.12 1.02 -1.26 -4.41 120.64 110.11 2pum n GLU 531 Ca 0.15 -0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.82 2pum n GLU 531 Cb 0.65 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.54 2pum n GLU 531 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2pum s ASN 532 N -2.77 6.54 0.05 1.62 2.47 0.18 -4.88 114.94 118.16 2pum s ASN 532 Ca 0.21 2.52 -0.37 0.00 0.42 0.00 0.00 52.86 55.64 2pum s ASN 532 Cb 0.19 -2.55 -0.17 0.00 -1.45 0.00 0.00 41.25 37.28 2pum s ASN 532 CO 0.52 -0.97 1.32 -2.65 -3.72 0.00 0.00 177.10 171.60 2pum n PRO 533 N 6.60 0.97 -0.04 0.43 -0.02 -1.26 -2.19 135.00 139.49 2pum n PRO 533 Ca 0.18 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2pum n PRO 533 Cb 0.41 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 2pum n PRO 533 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pum n GLY 534 N 2.45 1.20 0.07 -1.23 0.00 -1.26 -4.90 105.19 101.50 2pum n GLY 534 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 2pum n GLY 534 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2pum h VAL 535 N 0.00 1.50 -1.59 1.61 2.07 -1.76 -3.46 116.25 114.61 2pum h VAL 535 Ca 0.00 -2.13 -0.60 0.00 0.82 0.00 0.00 66.70 64.79 2pum h VAL 535 Cb 0.00 2.83 -0.11 0.00 -1.52 0.00 0.00 31.29 32.49 2pum h VAL 535 CO 0.00 0.51 -0.54 -0.36 0.02 0.00 0.00 177.57 177.19 2pum s PHE 536 N -2.11 2.54 0.14 1.57 0.40 -1.26 -5.13 117.98 114.13 2pum s PHE 536 Ca -0.16 -0.64 -0.06 0.00 -0.60 0.00 0.00 56.93 55.47 2pum s PHE 536 Cb -0.02 -1.87 -0.06 0.00 0.51 0.00 0.00 43.02 41.58 2pum s PHE 536 CO 0.58 0.31 0.40 0.95 0.70 0.00 0.00 175.22 178.15 2pum s THR 537 N -2.66 5.13 0.30 0.64 -4.23 -1.26 -4.88 115.64 108.68 2pum s THR 537 Ca 0.37 0.15 0.16 0.00 -1.18 0.00 0.00 61.69 61.20 2pum s THR 537 Cb 0.07 -3.62 0.28 0.00 1.34 0.00 0.00 72.50 70.57 2pum s THR 537 CO 0.20 0.07 1.27 1.21 -0.54 0.00 0.00 174.62 176.83 2pum n GLU 538 N 0.20 -0.05 0.09 3.99 2.13 -1.26 0.79 120.64 126.54 2pum n GLU 538 Ca -0.03 1.12 -0.19 0.00 0.66 0.00 0.00 57.16 58.72 2pum n GLU 538 Cb 0.52 -1.99 -0.11 0.00 0.27 0.00 0.00 31.44 30.12 2pum n GLU 538 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2pum h LYS 539 N 0.00 0.49 -0.35 5.31 3.64 -1.96 -1.40 116.57 122.31 2pum h LYS 539 Ca 0.68 -0.66 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2pum h LYS 539 Cb 1.78 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 33.81 2pum h LYS 539 CO -0.63 1.28 0.10 1.96 -2.27 0.00 0.00 179.45 179.90 2pum h GLN 540 N 0.21 0.54 -0.96 1.90 4.20 0.09 -2.77 115.11 118.32 2pum h GLN 540 Ca -0.15 -0.12 0.05 0.00 0.06 0.00 0.00 58.65 58.48 2pum h GLN 540 Cb 1.86 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 29.51 2pum h GLN 540 CO 0.21 0.57 0.63 0.00 -0.67 0.00 0.00 178.83 179.57 2pum h ARG 541 N 0.40 1.15 -0.01 1.46 3.08 0.07 -0.85 114.38 119.67 2pum h ARG 541 Ca 0.11 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2pum h ARG 541 Cb 0.26 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2pum h ARG 541 CO -0.00 0.76 -0.05 -0.44 -1.07 0.00 0.00 179.97 179.17 2pum h ASP 542 N 1.18 0.02 1.13 7.04 3.32 -1.08 -2.79 116.42 125.23 2pum h ASP 542 Ca 0.39 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.40 2pum h ASP 542 Cb 0.06 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2pum h ASP 542 CO -0.13 0.07 -0.90 -1.28 -1.72 0.00 0.00 179.24 175.28 2pum h SER 543 N 0.02 0.00 1.56 6.45 0.87 -0.91 -3.31 113.55 118.22 2pum h SER 543 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2pum h SER 543 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2pum h SER 543 CO 0.01 0.15 -0.43 -0.07 -0.53 0.00 0.00 176.83 175.95 2pum h LEU 544 N 0.00 0.00 0.00 2.23 3.38 -1.06 -3.26 115.31 116.61 2pum h LEU 544 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2pum h LEU 544 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2pum h LEU 544 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 2pum n GLN 545 N -2.90 0.04 0.00 1.13 6.02 -1.10 -2.39 117.38 118.17 2pum n GLN 545 Ca 0.02 0.17 0.12 0.00 -0.01 0.00 0.00 57.00 57.31 2pum n GLN 545 Cb 0.54 -1.50 0.29 0.00 1.02 0.00 0.00 30.24 30.59 2pum n GLN 545 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2pum n LYS 546 N -1.47 0.77 -2.00 -1.09 5.02 -1.23 -4.96 118.16 113.20 2pum n LYS 546 Ca 0.05 -0.50 -0.35 0.00 -2.02 0.00 0.00 58.31 55.49 2pum n LYS 546 Cb 0.21 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.76 2pum n LYS 546 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2pum s VAL 547 N -2.57 2.80 -0.02 -0.18 -7.23 -1.01 -4.77 120.40 107.43 2pum s VAL 547 Ca 0.21 0.47 -0.23 0.00 -1.81 0.00 0.00 61.98 60.63 2pum s VAL 547 Cb 0.19 -3.15 0.05 0.00 0.56 0.00 0.00 36.38 34.03 2pum s VAL 547 CO 0.56 -0.13 0.50 -0.94 -0.31 0.00 0.00 175.10 174.78 2pum s SER 548 N -1.78 -0.43 0.44 4.85 1.04 -1.26 -4.99 113.70 111.57 2pum s SER 548 Ca 0.75 0.36 0.18 0.00 0.48 0.00 0.00 55.95 57.73 2pum s SER 548 Cb -0.28 0.44 1.01 0.00 0.10 0.00 0.00 66.02 67.29 2pum s SER 548 CO 0.33 -0.56 1.93 0.15 0.98 0.00 0.00 173.24 176.07 2pum h PHE 549 N 3.31 0.00 -0.25 5.02 3.57 -1.96 -2.36 116.94 124.28 2pum h PHE 549 Ca -0.29 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.21 2pum h PHE 549 Cb 1.17 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 2pum h PHE 549 CO 0.44 0.25 0.13 0.77 -2.23 0.00 0.00 178.31 177.67 2pum h SER 550 N 0.00 0.32 -0.27 0.41 0.02 -1.87 -1.68 113.55 110.49 2pum h SER 550 Ca -0.00 -0.09 0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2pum h SER 550 Cb 0.52 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 2pum h SER 550 CO 0.03 0.32 -0.03 -0.09 -1.14 0.00 0.00 176.83 175.92 2pum h ARG 551 N 0.29 0.04 -0.98 3.45 9.65 -1.77 -0.26 114.38 124.80 2pum h ARG 551 Ca 0.09 -0.00 0.20 0.00 -1.10 0.00 0.00 59.98 59.17 2pum h ARG 551 Cb 0.08 -0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 28.56 2pum h ARG 551 CO -0.01 0.03 0.62 1.25 2.80 0.00 0.00 179.97 184.65 2pum h LEU 552 N 0.04 0.62 0.07 3.80 6.46 -0.90 0.32 115.31 125.71 2pum h LEU 552 Ca 0.13 0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.96 2pum h LEU 552 Cb 0.18 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 2pum h LEU 552 CO -0.25 0.22 -0.04 0.40 -0.62 0.00 0.00 178.44 178.15 2pum h ILE 553 N 0.60 1.12 -0.76 4.05 2.04 -0.25 -3.03 117.51 121.28 2pum h ILE 553 Ca 0.54 -0.68 0.08 0.00 1.00 0.00 0.00 64.86 65.80 2pum h ILE 553 Cb 1.07 1.56 -0.07 0.00 -0.74 0.00 0.00 36.82 38.65 2pum h ILE 553 CO -0.30 0.17 0.43 0.00 0.00 0.00 0.00 178.15 178.45 2pum n ASP 555 N -4.77 0.00 0.00 0.00 8.00 -0.16 -3.99 116.55 115.63 2pum n ASP 555 Ca 0.12 0.45 0.00 0.00 0.71 0.00 0.00 54.79 56.06 2pum n ASP 555 Cb 0.24 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 2pum n ASP 555 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pum n ASN 556 N -1.48 0.88 -3.07 -2.24 3.02 -0.79 -5.03 115.26 106.55 2pum n ASN 556 Ca 0.07 -1.43 -0.15 0.00 -0.03 0.00 0.00 54.58 53.04 2pum n ASN 556 Cb 0.31 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.45 2pum n ASN 556 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2pum n THR 557 N -0.22 0.00 -1.60 3.41 -2.24 -0.86 -4.97 114.28 107.82 2pum n THR 557 Ca 0.00 -1.83 -0.34 0.00 -2.27 0.00 0.00 64.05 59.61 2pum n THR 557 Cb 0.38 1.14 0.06 0.00 -2.10 0.00 0.00 70.33 69.80 2pum n THR 557 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2pum n HIS 558 N -0.60 3.12 -3.95 4.78 8.25 -1.26 -4.82 115.22 120.74 2pum n HIS 558 Ca 0.00 -2.79 -0.37 0.00 -0.26 0.00 0.00 57.72 54.31 2pum n HIS 558 Cb 0.61 -1.17 -0.06 0.00 1.12 0.00 0.00 29.99 30.49 2pum n HIS 558 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2pum s ILE 559 N -4.87 5.35 0.00 1.59 1.01 -1.26 -4.96 121.20 118.06 2pum s ILE 559 Ca 0.60 0.13 0.00 0.00 0.00 0.00 0.00 60.65 61.38 2pum s ILE 559 Cb 0.48 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.62 2pum s ILE 559 CO -0.08 0.61 0.20 0.35 0.00 0.00 0.00 174.94 176.01 2pum n THR 560 N 1.96 0.00 -4.26 2.92 -2.24 -1.26 -4.62 114.28 106.77 2pum n THR 560 Ca -0.19 -0.39 -0.33 0.00 -2.27 0.00 0.00 64.05 60.87 2pum n THR 560 Cb 0.55 1.11 -0.16 0.00 -2.10 0.00 0.00 70.33 69.73 2pum n THR 560 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2pum s LYS 561 N -0.38 3.01 0.10 -0.78 1.02 -1.26 0.41 119.74 121.86 2pum s LYS 561 Ca 0.00 -0.83 0.02 0.00 0.02 0.00 0.00 55.97 55.18 2pum s LYS 561 Cb 0.00 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.72 2pum s LYS 561 CO 0.00 -0.16 -0.07 0.14 -0.92 0.00 0.00 175.35 174.35 2pum s VAL 562 N 1.17 0.71 0.51 3.17 -7.23 -0.95 -4.91 120.40 112.86 2pum s VAL 562 Ca 0.02 -1.92 -0.07 0.00 -1.81 0.00 0.00 61.98 58.19 2pum s VAL 562 Cb -0.14 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 2pum s VAL 562 CO -0.10 -0.86 0.85 -2.16 -0.31 0.00 0.00 175.10 172.52 2pum s PRO 563 N -3.79 3.59 0.05 4.82 0.04 -1.26 -0.62 135.00 137.82 2pum s PRO 563 Ca 0.12 0.37 -0.11 0.00 0.04 0.00 0.00 61.00 61.42 2pum s PRO 563 Cb 0.05 -2.30 -0.32 0.00 0.04 0.00 0.00 34.50 31.96 2pum s PRO 563 CO -0.04 -0.28 1.04 -0.07 0.04 0.00 0.00 177.00 177.69 2pum h LEU 564 N 0.21 0.66 -7.77 -3.56 -0.00 -1.99 -3.40 115.31 99.47 2pum h LEU 564 Ca -0.46 -0.72 -0.70 0.00 -0.00 0.00 0.00 57.88 56.00 2pum h LEU 564 Cb 1.20 -0.21 -0.34 0.00 -0.00 0.00 0.00 40.66 41.30 2pum h LEU 564 CO 0.62 1.56 -0.49 -1.00 -0.00 0.00 0.00 178.44 179.13 2pum s HIS 565 N -2.62 3.53 0.08 1.13 3.76 -1.26 -4.80 115.29 115.11 2pum s HIS 565 Ca -0.07 -2.45 0.25 0.00 -0.15 0.00 0.00 55.06 52.63 2pum s HIS 565 Cb 0.05 -3.24 0.89 0.00 1.11 0.00 0.00 32.58 31.39 2pum s HIS 565 CO 0.92 -0.94 1.81 0.00 -0.85 0.00 0.00 174.74 175.68 2pum h ALA 566 N 7.82 0.99 0.00 -1.40 0.00 -1.99 -3.24 119.26 121.45 2pum h ALA 566 Ca -0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2pum h ALA 566 Cb 1.03 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2pum h ALA 566 CO 0.72 0.25 -0.30 0.74 0.00 0.00 0.00 179.25 180.65 2pum h PHE 567 N 0.00 0.00 -3.67 0.00 0.04 -1.95 -3.43 116.94 107.94 2pum h PHE 567 Ca -0.00 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.29 2pum h PHE 567 Cb 0.77 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.98 2pum h PHE 567 CO 0.00 0.07 0.18 1.14 -0.60 0.00 0.00 178.31 179.10 2pum s GLN 568 N -3.21 2.97 0.14 1.51 -2.07 -1.22 -1.90 119.66 115.87 2pum s GLN 568 Ca 0.05 0.02 -0.30 0.00 -1.82 0.00 0.00 55.36 53.31 2pum s GLN 568 Cb 0.06 -2.27 -0.07 0.00 -1.09 0.00 0.00 33.01 29.64 2pum s GLN 568 CO 0.71 -0.67 1.26 0.00 -1.32 0.00 0.00 175.29 175.27 2pum s ALA 569 N -2.98 3.47 -0.08 2.60 0.00 -1.24 -3.92 121.76 119.62 2pum s ALA 569 Ca 0.54 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.49 2pum s ALA 569 Cb -0.11 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.57 2pum s ALA 569 CO 0.45 -0.47 -0.07 -0.80 0.00 0.00 0.00 175.76 174.87 2pum s ASN 570 N 0.66 1.74 -0.14 0.00 -0.87 -1.26 -4.94 114.94 110.12 2pum s ASN 570 Ca 0.58 -0.23 -0.18 0.00 -1.57 0.00 0.00 52.86 51.46 2pum s ASN 570 Cb -0.33 -0.69 -0.04 0.00 -0.02 0.00 0.00 41.25 40.17 2pum s ASN 570 CO 0.33 -0.08 0.49 0.20 -2.57 0.00 0.00 177.10 175.47 2pum s ASN 571 N 1.36 6.66 0.12 -1.22 0.01 -1.26 -4.67 114.94 115.94 2pum s ASN 571 Ca -0.03 0.79 -0.27 0.00 -0.71 0.00 0.00 52.86 52.64 2pum s ASN 571 Cb -0.14 -2.29 -0.07 0.00 0.41 0.00 0.00 41.25 39.17 2pum s ASN 571 CO -0.03 -0.04 0.85 -0.47 -1.51 0.00 0.00 177.10 175.89 2pum s TYR 572 N 0.86 3.83 -1.52 2.20 5.04 -1.26 -1.44 117.35 125.07 2pum s TYR 572 Ca 0.26 1.66 0.22 0.00 -2.44 0.00 0.00 57.07 56.77 2pum s TYR 572 Cb -0.15 -2.90 -0.07 0.00 0.35 0.00 0.00 41.96 39.19 2pum s TYR 572 CO 0.10 0.34 1.03 -0.35 -1.34 0.00 0.00 175.55 175.32 2pum n PRO 573 N 2.35 0.60 -0.25 4.97 -0.05 -1.26 -4.94 135.00 136.42 2pum n PRO 573 Ca -0.02 -0.49 0.05 0.00 -0.05 0.00 0.00 63.50 63.00 2pum n PRO 573 Cb 0.49 -1.49 0.18 0.00 -0.05 0.00 0.00 33.50 32.63 2pum n PRO 573 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 2pum h HIS 574 N 1.20 0.25 -0.28 0.54 2.76 -1.92 0.88 115.15 118.58 2pum h HIS 574 Ca 0.00 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2pum h HIS 574 Cb 0.62 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.59 2pum h HIS 574 CO 0.00 -0.10 0.00 -0.25 -1.30 0.00 0.00 177.93 176.28 2pum n ASP 575 N -5.17 1.50 -4.34 3.26 8.00 -0.52 -4.87 116.55 114.42 2pum n ASP 575 Ca 0.14 -1.98 -0.35 0.00 0.71 0.00 0.00 54.79 53.31 2pum n ASP 575 Cb 0.46 -0.18 -0.14 0.00 -0.02 0.00 0.00 41.12 41.24 2pum n ASP 575 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2pum s PHE 576 N -1.63 2.95 0.56 1.24 0.40 0.30 -4.24 117.98 117.57 2pum s PHE 576 Ca 0.20 -0.81 0.06 0.00 -0.60 0.00 0.00 56.93 55.77 2pum s PHE 576 Cb 0.10 -2.06 0.05 0.00 0.51 0.00 0.00 43.02 41.63 2pum s PHE 576 CO 0.13 -0.44 0.48 0.14 0.70 0.00 0.00 175.22 176.23 2pum s VAL 577 N 1.22 1.62 0.07 -0.44 -7.23 0.20 -4.85 120.40 110.99 2pum s VAL 577 Ca 0.03 -1.42 -0.28 0.00 -1.81 0.00 0.00 61.98 58.50 2pum s VAL 577 Cb -0.14 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 2pum s VAL 577 CO -0.01 0.00 0.87 -0.62 -0.31 0.00 0.00 175.10 175.03 2pum s ASP 578 N -4.37 7.35 0.00 4.85 -1.08 -1.26 -2.24 116.67 119.92 2pum s ASP 578 Ca 0.37 1.62 0.00 0.00 -0.52 0.00 0.00 52.55 54.02 2pum s ASP 578 Cb -0.03 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 2pum s ASP 578 CO 0.23 -0.04 0.58 0.00 0.52 0.00 0.00 175.17 176.46 2pum n SER 580 N -1.08 6.07 0.00 0.00 7.64 -1.26 -3.39 113.62 121.60 2pum n SER 580 Ca 0.00 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.14 2pum n SER 580 Cb 0.12 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 2pum n SER 580 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2pum n THR 581 N -0.35 0.00 -1.75 0.44 -1.04 -1.22 -5.11 114.28 105.25 2pum n THR 581 Ca 0.43 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 62.02 2pum n THR 581 Cb 0.39 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.87 2pum n THR 581 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2pum s VAL 582 N 0.00 2.06 0.01 12.58 1.01 -1.22 -4.88 120.40 129.96 2pum s VAL 582 Ca 0.00 0.04 -0.39 0.00 0.00 0.00 0.00 61.98 61.63 2pum s VAL 582 Cb 0.00 -3.03 -0.19 0.00 0.00 0.00 0.00 36.38 33.16 2pum s VAL 582 CO 0.00 0.00 1.18 0.47 0.00 0.00 0.00 175.10 176.75 2pum n ASP 583 N 3.36 0.57 -4.91 3.32 9.92 -1.26 -4.96 116.55 122.58 2pum n ASP 583 Ca 0.13 1.15 -0.30 0.00 -0.53 0.00 0.00 54.79 55.24 2pum n ASP 583 Cb 0.36 -1.01 -0.04 0.00 -0.64 0.00 0.00 41.12 39.79 2pum n ASP 583 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2pum s LYS 584 N 0.26 3.54 -0.73 -1.24 1.02 -1.26 -4.75 119.74 116.58 2pum s LYS 584 Ca 0.89 -0.27 -0.26 0.00 0.02 0.00 0.00 55.97 56.35 2pum s LYS 584 Cb -1.17 -2.89 -0.00 0.00 -0.52 0.00 0.00 37.83 33.24 2pum s LYS 584 CO 0.54 0.48 1.65 -1.17 -0.92 0.00 0.00 175.35 175.93 2pum s LEU 585 N -2.87 3.25 0.09 3.17 2.96 -1.26 -4.93 118.68 119.09 2pum s LEU 585 Ca 0.39 -0.21 -0.31 0.00 -0.22 0.00 0.00 54.13 53.78 2pum s LEU 585 Cb -0.12 -2.55 -0.09 0.00 0.50 0.00 0.00 46.19 43.94 2pum s LEU 585 CO 0.27 -2.18 1.67 -0.62 -1.32 0.00 0.00 176.35 174.18 2pum s ASP 586 N 6.42 6.57 -0.16 3.68 2.15 -1.26 -4.86 116.67 129.21 2pum s ASP 586 Ca 0.55 2.56 0.17 0.00 0.43 0.00 0.00 52.55 56.26 2pum s ASP 586 Cb -0.09 -2.57 0.34 0.00 -0.30 0.00 0.00 42.92 40.30 2pum s ASP 586 CO 0.13 -0.90 1.19 -0.11 -0.17 0.00 0.00 175.17 175.31 2pum n LEU 587 N 5.38 2.58 -0.01 -1.34 0.00 -1.26 -4.57 117.00 117.78 2pum n LEU 587 Ca 0.16 -3.29 -0.07 0.00 0.00 0.00 0.00 56.01 52.81 2pum n LEU 587 Cb 0.40 -0.47 -0.13 0.00 0.00 0.00 0.00 43.42 43.22 2pum n LEU 587 CO 0.63 0.88 -0.45 0.77 0.00 0.00 0.00 177.39 179.23 2pum h SER 588 N 0.37 0.00 0.00 1.96 4.64 -2.00 -3.33 113.55 115.19 2pum h SER 588 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2pum h SER 588 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2pum h SER 588 CO 0.03 0.92 0.07 -2.65 -0.87 0.00 0.00 176.83 174.33 2pum n PRO 589 N -3.03 0.00 -0.24 4.77 -0.02 -1.26 -1.67 135.00 133.54 2pum n PRO 589 Ca -0.15 0.04 0.08 0.00 -2.02 0.00 0.00 63.50 61.46 2pum n PRO 589 Cb 1.01 -1.57 0.21 0.00 -0.02 0.00 0.00 33.50 33.12 2pum n PRO 589 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2pum n TRP 590 N -0.81 0.63 -2.18 6.00 8.01 -1.25 -4.75 117.44 123.10 2pum n TRP 590 Ca 0.00 -0.49 -0.37 0.00 -1.31 0.00 0.00 57.50 55.33 2pum n TRP 590 Cb 0.07 -0.02 -0.00 0.00 -2.01 0.00 0.00 31.31 29.36 2pum n TRP 590 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2pum s ALA 591 N -1.01 2.95 -0.21 6.99 0.00 -0.67 -4.93 121.76 124.88 2pum s ALA 591 Ca 0.32 1.00 -0.02 0.00 0.00 0.00 0.00 51.96 53.26 2pum s ALA 591 Cb 0.17 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 19.93 2pum s ALA 591 CO 0.22 -0.78 0.02 0.45 0.00 0.00 0.00 175.76 175.67 2pum s SER 592 N -1.29 3.15 -0.25 0.00 0.15 -1.26 -5.13 113.70 109.08 2pum s SER 592 Ca 0.65 -0.93 -0.05 0.00 0.70 0.00 0.00 55.95 56.31 2pum s SER 592 Cb -0.31 -0.72 -0.01 0.00 -1.71 0.00 0.00 66.02 63.27 2pum s SER 592 CO 0.37 -0.30 0.01 -0.13 1.20 0.00 0.00 173.24 174.40 2pum s ARG 593 N 1.76 3.33 0.11 5.44 0.52 -1.26 -5.03 118.95 123.82 2pum s ARG 593 Ca -0.01 -0.68 0.24 0.00 -0.52 0.00 0.00 55.73 54.76 2pum s ARG 593 Cb -0.17 -3.18 0.94 0.00 0.52 0.00 0.00 34.95 33.06 2pum s ARG 593 CO -0.08 -0.27 1.75 0.39 0.02 0.00 0.00 175.30 177.10 2pum n GLU 594 N 4.84 0.12 0.00 3.54 4.71 -1.26 -5.34 120.64 127.25 2pum n GLU 594 Ca -0.17 0.19 0.15 0.00 -0.01 0.00 0.00 57.16 57.33 2pum n GLU 594 Cb 0.50 -1.66 0.78 0.00 -1.01 0.00 0.00 31.44 30.04 2pum n GLU 594 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31