#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkw s SER 57 N 0.00 4.40 0.28 4.31 0.15 -1.26 -5.04 113.70 116.54 1xkw s SER 57 Ca 0.00 -0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.36 1xkw s SER 57 Cb 0.00 -0.89 -0.04 0.00 -1.71 0.00 0.00 66.02 63.38 1xkw s SER 57 CO 0.00 0.22 0.13 0.42 1.20 0.00 0.00 173.24 175.21 1xkw s THR 58 N -1.11 0.41 -0.43 6.45 -4.23 -1.26 -4.21 115.64 111.26 1xkw s THR 58 Ca 0.19 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.92 1xkw s THR 58 Cb -0.11 -2.56 0.23 0.00 1.34 0.00 0.00 72.50 71.40 1xkw s THR 58 CO 0.11 0.00 1.68 -1.54 -0.54 0.00 0.00 174.62 174.32 1xkw n SER 59 N -0.71 0.61 0.08 3.99 3.41 -1.26 -1.81 113.62 117.92 1xkw n SER 59 Ca 0.00 0.68 0.11 0.00 -0.26 0.00 0.00 58.87 59.41 1xkw n SER 59 Cb 0.65 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 1xkw n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xkw n ALA 60 N -1.76 2.59 -1.70 7.33 0.00 -1.26 -4.96 120.51 120.75 1xkw n ALA 60 Ca 0.01 -0.28 -0.43 0.00 0.00 0.00 0.00 53.44 52.74 1xkw n ALA 60 Cb 0.17 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 1xkw n ALA 60 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1xkw n THR 61 N -2.59 0.21 -3.95 0.00 -1.04 -0.75 -5.01 114.28 101.14 1xkw n THR 61 Ca -0.01 -0.04 -0.10 0.00 -2.04 0.00 0.00 64.05 61.87 1xkw n THR 61 Cb 0.55 -1.99 -0.10 0.00 -1.82 0.00 0.00 70.33 66.96 1xkw n THR 61 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1xkw s GLN 62 N 2.05 0.43 0.93 -2.82 -1.52 -1.26 -4.90 119.66 112.56 1xkw s GLN 62 Ca 0.80 -0.62 -0.11 0.00 -1.95 0.00 0.00 55.36 53.48 1xkw s GLN 62 Cb -0.52 0.16 0.15 0.00 -0.22 0.00 0.00 33.01 32.58 1xkw s GLN 62 CO 0.36 -0.09 1.09 -2.14 -0.25 0.00 0.00 175.29 174.27 1xkw s PRO 63 N -1.80 0.99 0.14 2.91 0.02 -1.26 -4.90 135.00 131.11 1xkw s PRO 63 Ca -0.12 0.94 -0.34 0.00 0.02 0.00 0.00 61.00 61.50 1xkw s PRO 63 Cb -0.07 -1.77 -0.15 0.00 0.02 0.00 0.00 34.50 32.53 1xkw s PRO 63 CO -0.01 -2.46 1.34 -2.30 -0.33 0.00 0.00 177.00 173.23 1xkw n PRO 64 N -4.05 1.44 0.00 5.54 -0.02 -1.26 -2.09 135.00 134.56 1xkw n PRO 64 Ca 0.07 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1xkw n PRO 64 Cb 0.55 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1xkw n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xkw n GLY 65 N 2.48 2.94 3.73 -1.23 0.00 -1.26 -4.88 105.19 106.97 1xkw n GLY 65 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1xkw n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xkw s VAL 66 N -1.19 3.31 0.35 1.61 1.01 -0.89 -4.23 120.40 120.38 1xkw s VAL 66 Ca 0.00 1.05 0.08 0.00 0.00 0.00 0.00 61.98 63.11 1xkw s VAL 66 Cb 0.00 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 1xkw s VAL 66 CO 0.00 0.14 -0.05 0.42 0.00 0.00 0.00 175.10 175.61 1xkw s THR 67 N 0.30 2.06 0.00 3.92 -4.23 -0.77 -4.86 115.64 112.06 1xkw s THR 67 Ca 0.58 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1xkw s THR 67 Cb -0.36 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1xkw s THR 67 CO 0.36 -0.15 0.52 0.35 -0.54 0.00 0.00 174.62 175.16 1xkw n THR 68 N -0.81 0.25 0.30 3.99 -2.24 -1.26 -0.55 114.28 113.95 1xkw n THR 68 Ca -0.05 -0.46 0.20 0.00 -2.27 0.00 0.00 64.05 61.48 1xkw n THR 68 Cb 0.65 1.09 1.06 0.00 -2.10 0.00 0.00 70.33 71.02 1xkw n THR 68 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1xkw h LEU 69 N 0.00 0.00 -0.98 3.22 8.10 -1.97 -0.09 115.31 123.60 1xkw h LEU 69 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1xkw h LEU 69 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.57 1xkw h LEU 69 CO 0.00 0.00 0.00 0.61 -4.11 0.00 0.00 178.44 174.94 1xkw n GLY 70 N -1.04 0.45 3.27 0.17 0.00 -1.26 -4.86 105.19 101.92 1xkw n GLY 70 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1xkw n GLY 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xkw n LYS 71 N 0.09 0.00 -4.07 1.61 4.76 -0.04 -4.95 118.16 115.56 1xkw n LYS 71 Ca 0.07 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.43 1xkw n LYS 71 Cb 0.26 -1.33 -0.10 0.00 -1.84 0.00 0.00 35.03 32.02 1xkw n LYS 71 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1xkw s VAL 72 N -2.38 0.19 0.12 -0.18 -7.23 -1.25 -5.08 120.40 104.59 1xkw s VAL 72 Ca 0.00 -1.75 -0.31 0.00 -1.81 0.00 0.00 61.98 58.11 1xkw s VAL 72 Cb 0.00 -1.58 -0.09 0.00 0.56 0.00 0.00 36.38 35.27 1xkw s VAL 72 CO 0.00 -0.88 1.54 -2.84 -0.31 0.00 0.00 175.10 172.61 1xkw s PRO 73 N -3.93 4.24 -0.07 4.82 0.02 -1.26 -4.34 135.00 134.48 1xkw s PRO 73 Ca 0.09 2.27 0.01 0.00 0.02 0.00 0.00 61.00 63.40 1xkw s PRO 73 Cb 0.08 -3.31 0.02 0.00 0.02 0.00 0.00 34.50 31.31 1xkw s PRO 73 CO -0.08 -0.60 -0.10 -0.51 -0.33 0.00 0.00 177.00 175.38 1xkw s LEU 74 N 1.57 1.49 0.53 -5.54 1.43 0.29 -4.96 118.68 113.50 1xkw s LEU 74 Ca 0.69 -0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 53.35 1xkw s LEU 74 Cb -0.41 -0.76 -0.06 0.00 0.03 0.00 0.00 46.19 44.99 1xkw s LEU 74 CO 0.31 -0.01 1.04 -0.54 0.23 0.00 0.00 176.35 177.37 1xkw s LYS 75 N 0.92 3.63 0.25 1.70 1.02 -1.26 -1.84 119.74 124.16 1xkw s LYS 75 Ca -0.10 1.24 -0.07 0.00 0.02 0.00 0.00 55.97 57.06 1xkw s LYS 75 Cb -0.15 -2.08 0.43 0.00 -0.52 0.00 0.00 37.83 35.51 1xkw s LYS 75 CO 0.01 -0.55 1.63 -1.35 -0.92 0.00 0.00 175.35 174.16 1xkw h PRO 76 N 1.03 0.08 0.00 -1.68 0.11 -1.92 0.65 132.00 130.28 1xkw h PRO 76 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xkw h PRO 76 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xkw h PRO 76 CO 0.59 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.43 1xkw h ARG 77 N 0.08 0.00 -0.00 1.05 3.08 -1.92 -1.22 114.38 115.45 1xkw h ARG 77 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1xkw h ARG 77 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1xkw h ARG 77 CO -0.69 0.00 -0.15 0.39 -1.07 0.00 0.00 179.97 178.45 1xkw n GLU 78 N -2.96 0.57 -3.94 0.04 1.02 0.22 -4.74 120.64 110.85 1xkw n GLU 78 Ca -0.01 -0.21 -0.35 0.00 -0.02 0.00 0.00 57.16 56.56 1xkw n GLU 78 Cb 0.15 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.93 1xkw n GLU 78 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1xkw s LEU 79 N -2.57 3.14 -0.05 -4.62 2.96 -0.46 -4.96 118.68 112.11 1xkw s LEU 79 Ca 0.25 -0.74 -0.00 0.00 -0.22 0.00 0.00 54.13 53.42 1xkw s LEU 79 Cb 0.20 -1.69 0.04 0.00 0.50 0.00 0.00 46.19 45.23 1xkw s LEU 79 CO 0.50 -0.10 1.93 -0.81 -1.32 0.00 0.00 176.35 176.55 1xkw n PRO 80 N 4.71 1.13 -3.91 0.98 -0.04 -1.26 -4.81 135.00 131.80 1xkw n PRO 80 Ca -0.17 -0.25 -0.09 0.00 -0.04 0.00 0.00 63.50 62.95 1xkw n PRO 80 Cb 0.48 -1.10 -0.07 0.00 -0.04 0.00 0.00 33.50 32.78 1xkw n PRO 80 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1xkw s GLN 81 N -0.29 1.14 0.04 0.54 -0.21 -1.26 -4.36 119.66 115.26 1xkw s GLN 81 Ca 0.05 -1.10 -0.30 0.00 0.02 0.00 0.00 55.36 54.03 1xkw s GLN 81 Cb 0.04 0.39 -0.05 0.00 1.00 0.00 0.00 33.01 34.39 1xkw s GLN 81 CO -0.00 -0.42 1.16 -1.12 -2.12 0.00 0.00 175.29 172.79 1xkw s SER 82 N -2.94 7.13 -0.12 5.90 0.01 -1.26 -4.98 113.70 117.45 1xkw s SER 82 Ca 0.14 1.94 -0.30 0.00 1.31 0.00 0.00 55.95 59.04 1xkw s SER 82 Cb 0.03 -2.58 0.10 0.00 0.21 0.00 0.00 66.02 63.78 1xkw s SER 82 CO -0.02 -0.43 0.83 0.00 0.41 0.00 0.00 173.24 174.03 1xkw s ALA 83 N 1.11 -1.85 0.20 1.44 0.00 -1.26 -0.26 121.76 121.15 1xkw s ALA 83 Ca 0.57 1.50 -0.18 0.00 0.00 0.00 0.00 51.96 53.85 1xkw s ALA 83 Cb -0.28 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.44 1xkw s ALA 83 CO 0.29 -0.34 0.54 -1.54 0.00 0.00 0.00 175.76 174.71 1xkw s SER 84 N -1.00 -0.26 0.01 0.00 1.04 -0.66 -5.01 113.70 107.82 1xkw s SER 84 Ca -0.06 -0.51 0.06 0.00 0.48 0.00 0.00 55.95 55.92 1xkw s SER 84 Cb -0.01 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 1xkw s SER 84 CO 0.05 -1.08 -0.17 -0.69 0.98 0.00 0.00 173.24 172.33 1xkw s VAL 85 N -3.88 2.86 -0.48 5.02 1.01 -1.26 -1.32 120.40 122.35 1xkw s VAL 85 Ca 0.10 -1.02 -0.15 0.00 0.00 0.00 0.00 61.98 60.92 1xkw s VAL 85 Cb -0.01 -2.17 0.08 0.00 0.00 0.00 0.00 36.38 34.28 1xkw s VAL 85 CO -0.01 0.44 0.40 -0.63 0.00 0.00 0.00 175.10 175.29 1xkw s ILE 86 N -0.85 5.12 0.79 2.22 1.01 0.53 -4.97 121.20 125.06 1xkw s ILE 86 Ca 0.13 -1.16 -0.12 0.00 0.00 0.00 0.00 60.65 59.51 1xkw s ILE 86 Cb -0.11 -4.10 0.07 0.00 0.01 0.00 0.00 42.46 38.34 1xkw s ILE 86 CO 0.03 -0.61 1.16 1.51 0.00 0.00 0.00 174.94 177.03 1xkw s ASP 87 N 2.69 4.59 0.18 3.58 1.47 -1.26 -1.47 116.67 126.45 1xkw s ASP 87 Ca 0.04 0.78 -0.13 0.00 1.18 0.00 0.00 52.55 54.41 1xkw s ASP 87 Cb -0.25 -1.30 0.11 0.00 -0.34 0.00 0.00 42.92 41.14 1xkw s ASP 87 CO 0.06 -1.85 1.80 -0.74 0.68 0.00 0.00 175.17 175.12 1xkw h HIS 88 N -0.99 0.53 -0.59 2.11 -0.00 -1.86 -1.24 115.15 113.10 1xkw h HIS 88 Ca -0.46 0.02 0.11 0.00 -0.00 0.00 0.00 60.37 60.04 1xkw h HIS 88 Cb 1.32 -0.17 -0.08 0.00 -0.00 0.00 0.00 27.41 28.48 1xkw h HIS 88 CO 0.32 0.29 0.14 1.49 -0.00 0.00 0.00 177.93 180.17 1xkw h GLU 89 N 0.57 0.27 -0.08 5.26 4.81 -1.94 -0.75 114.58 122.72 1xkw h GLU 89 Ca 0.21 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 1xkw h GLU 89 Cb 0.06 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1xkw h GLU 89 CO -0.11 0.18 -0.51 -0.09 -0.73 0.00 0.00 179.01 177.74 1xkw h ARG 90 N 0.27 0.20 -0.76 1.92 2.43 -1.81 -0.45 114.38 116.19 1xkw h ARG 90 Ca 0.31 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 59.38 1xkw h ARG 90 Cb 0.45 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 1xkw h ARG 90 CO -0.38 0.67 0.50 -0.07 -1.51 0.00 0.00 179.97 179.18 1xkw h LEU 91 N 0.16 0.84 -0.00 3.80 3.38 0.01 -1.05 115.31 122.44 1xkw h LEU 91 Ca 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1xkw h LEU 91 Cb 0.96 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1xkw h LEU 91 CO 0.08 0.60 -0.10 -0.33 0.09 0.00 0.00 178.44 178.78 1xkw h GLU 92 N 0.99 0.07 -0.88 1.13 5.08 -0.95 0.66 114.58 120.69 1xkw h GLU 92 Ca 0.28 -0.08 0.07 0.00 -1.00 0.00 0.00 59.36 58.64 1xkw h GLU 92 Cb -0.06 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 1xkw h GLU 92 CO -0.07 0.83 0.54 1.96 -1.00 0.00 0.00 179.01 181.27 1xkw h GLN 93 N -0.65 0.94 -0.64 2.33 4.20 -0.88 -1.81 115.11 118.60 1xkw h GLN 93 Ca -0.01 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1xkw h GLN 93 Cb 0.86 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1xkw h GLN 93 CO 0.02 0.62 0.00 1.04 -0.67 0.00 0.00 178.83 179.84 1xkw n GLN 94 N -4.63 2.49 -3.88 1.46 6.02 -0.42 -4.95 117.38 113.47 1xkw n GLN 94 Ca 0.13 -2.30 -0.24 0.00 -0.01 0.00 0.00 57.00 54.58 1xkw n GLN 94 Cb 0.20 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.96 1xkw n GLN 94 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1xkw n ASN 95 N 1.36 -0.56 -4.40 1.08 3.02 -0.68 -4.82 115.26 110.25 1xkw n ASN 95 Ca 0.21 -0.95 -0.43 0.00 -0.03 0.00 0.00 54.58 53.38 1xkw n ASN 95 Cb 0.54 -3.34 0.00 0.00 -0.61 0.00 0.00 39.78 36.37 1xkw n ASN 95 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1xkw n LEU 96 N -4.36 5.36 0.23 3.41 4.77 0.19 -4.77 117.00 121.84 1xkw n LEU 96 Ca -0.31 -4.25 0.13 0.00 -0.03 0.00 0.00 56.01 51.55 1xkw n LEU 96 Cb 0.68 -1.66 0.35 0.00 -2.33 0.00 0.00 43.42 40.46 1xkw n LEU 96 CO 0.73 0.60 0.84 -0.26 -1.33 0.00 0.00 177.39 177.97 1xkw h PHE 97 N 7.09 0.00 -2.99 -1.77 0.04 -1.88 -3.43 116.94 113.99 1xkw h PHE 97 Ca 0.39 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.71 1xkw h PHE 97 Cb 0.83 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.83 1xkw h PHE 97 CO 1.27 0.06 -0.74 -1.54 -0.60 0.00 0.00 178.31 176.75 1xkw s SER 98 N -6.06 2.54 0.26 2.17 1.04 -1.26 -0.90 113.70 111.50 1xkw s SER 98 Ca 0.04 -0.98 -0.03 0.00 0.48 0.00 0.00 55.95 55.46 1xkw s SER 98 Cb 0.07 -0.13 0.34 0.00 0.10 0.00 0.00 66.02 66.40 1xkw s SER 98 CO 0.63 -0.15 1.82 0.25 0.98 0.00 0.00 173.24 176.78 1xkw h LEU 99 N 2.73 0.87 -0.44 2.42 5.85 -1.26 -2.03 115.31 123.45 1xkw h LEU 99 Ca -0.39 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.23 1xkw h LEU 99 Cb 1.22 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1xkw h LEU 99 CO 0.59 0.81 0.22 0.44 -0.34 0.00 0.00 178.44 180.16 1xkw h ASP 100 N 0.92 0.31 -0.80 1.25 3.32 -1.97 0.01 116.42 119.45 1xkw h ASP 100 Ca 0.21 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1xkw h ASP 100 Cb 0.25 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1xkw h ASP 100 CO -0.01 0.22 0.43 -0.33 -1.72 0.00 0.00 179.24 177.83 1xkw h GLU 101 N 0.43 1.13 -0.54 3.56 5.08 -1.86 -1.12 114.58 121.26 1xkw h GLU 101 Ca 0.19 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1xkw h GLU 101 Cb 0.11 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1xkw h GLU 101 CO -0.14 0.84 0.16 0.00 -1.00 0.00 0.00 179.01 178.87 1xkw h ALA 102 N 1.23 0.71 0.00 3.43 0.00 -0.82 -2.82 119.26 120.98 1xkw h ALA 102 Ca 0.28 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1xkw h ALA 102 Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xkw h ALA 102 CO -0.04 0.38 -0.22 0.52 0.00 0.00 0.00 179.25 179.88 1xkw h MET 103 N 0.75 0.00 0.00 0.00 2.86 -0.51 -1.70 114.93 116.33 1xkw h MET 103 Ca 0.17 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1xkw h MET 103 Cb 0.29 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 1xkw h MET 103 CO -0.00 0.22 -0.04 1.96 1.06 0.00 0.00 176.91 180.11 1xkw h GLN 104 N 0.00 0.00 -0.30 1.72 1.08 -0.95 -1.99 115.11 114.67 1xkw h GLN 104 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1xkw h GLN 104 Cb 0.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1xkw h GLN 104 CO 0.03 0.04 0.00 1.04 -0.95 0.00 0.00 178.83 178.99 1xkw n GLN 105 N -3.29 2.96 -3.70 1.46 1.13 -0.66 -5.00 117.38 110.28 1xkw n GLN 105 Ca -0.02 -2.60 -0.37 0.00 -1.94 0.00 0.00 57.00 52.07 1xkw n GLN 105 Cb 0.20 -1.67 -0.06 0.00 0.11 0.00 0.00 30.24 28.81 1xkw n GLN 105 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xkw s ALA 106 N -2.25 3.79 0.15 -1.58 0.00 -0.75 -4.87 121.76 116.25 1xkw s ALA 106 Ca 0.37 -0.45 -0.34 0.00 0.00 0.00 0.00 51.96 51.53 1xkw s ALA 106 Cb 0.27 -2.16 -0.14 0.00 0.00 0.00 0.00 23.12 21.09 1xkw s ALA 106 CO 0.11 0.54 1.58 2.41 0.00 0.00 0.00 175.76 180.41 1xkw n THR 107 N 1.96 0.02 -0.84 0.00 -1.04 -1.26 -2.47 114.28 110.65 1xkw n THR 107 Ca -0.17 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1xkw n THR 107 Cb 0.54 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 1xkw n THR 107 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xkw n GLY 108 N 3.42 0.32 3.66 3.41 0.00 -1.26 -5.00 105.19 109.75 1xkw n GLY 108 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1xkw n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xkw s VAL 109 N -1.88 5.26 -0.19 1.61 1.01 -1.03 -4.29 120.40 120.89 1xkw s VAL 109 Ca 0.00 0.48 -0.09 0.00 0.00 0.00 0.00 61.98 62.38 1xkw s VAL 109 Cb 0.00 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1xkw s VAL 109 CO 0.00 0.28 0.10 -0.89 0.00 0.00 0.00 175.10 174.59 1xkw s THR 110 N 1.30 5.17 -0.16 3.92 2.01 0.12 -4.86 115.64 123.13 1xkw s THR 110 Ca 0.14 0.10 -0.05 0.00 0.31 0.00 0.00 61.69 62.20 1xkw s THR 110 Cb -0.14 -3.34 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 1xkw s THR 110 CO 0.07 0.45 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.75 1xkw s VAL 111 N 0.32 4.14 -0.32 3.82 1.01 -1.26 -0.53 120.40 127.57 1xkw s VAL 111 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1xkw s VAL 111 Cb -0.12 -2.83 0.10 0.00 0.00 0.00 0.00 36.38 33.54 1xkw s VAL 111 CO -0.01 0.49 0.10 -1.10 0.00 0.00 0.00 175.10 174.57 1xkw s GLN 112 N 0.31 0.91 0.83 2.72 -1.52 0.55 -4.80 119.66 118.66 1xkw s GLN 112 Ca -0.02 -1.30 -0.11 0.00 -1.95 0.00 0.00 55.36 51.99 1xkw s GLN 112 Cb -0.14 -2.27 0.09 0.00 -0.22 0.00 0.00 33.01 30.48 1xkw s GLN 112 CO 0.02 -0.99 1.10 -2.14 -0.25 0.00 0.00 175.29 173.03 1xkw s PRO 113 N 1.39 1.75 -1.18 2.91 0.02 -1.26 -0.64 135.00 137.99 1xkw s PRO 113 Ca 0.10 1.17 -0.23 0.00 0.02 0.00 0.00 61.00 62.06 1xkw s PRO 113 Cb -0.18 -1.84 0.01 0.00 0.02 0.00 0.00 34.50 32.51 1xkw s PRO 113 CO -0.20 -1.99 0.73 1.19 -0.33 0.00 0.00 177.00 176.40 1xkw n PHE 114 N -3.76 -1.75 -4.02 6.54 3.01 -0.91 -4.84 117.46 111.72 1xkw n PHE 114 Ca 0.09 0.38 -0.31 0.00 1.01 0.00 0.00 57.45 58.61 1xkw n PHE 114 Cb 0.53 -3.29 -0.16 0.00 -0.01 0.00 0.00 39.48 36.55 1xkw n PHE 114 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1xkw s GLN 115 N -6.40 2.16 -1.33 -1.08 -0.21 0.26 -4.69 119.66 108.38 1xkw s GLN 115 Ca 0.44 -0.99 -0.04 0.00 0.02 0.00 0.00 55.36 54.79 1xkw s GLN 115 Cb -0.18 -2.58 0.02 0.00 1.00 0.00 0.00 33.01 31.27 1xkw s GLN 115 CO 0.89 -0.46 0.94 1.28 -2.12 0.00 0.00 175.29 175.82 1xkw n LEU 116 N 4.61 -3.34 -2.50 2.90 4.77 -1.26 -2.68 117.00 119.50 1xkw n LEU 116 Ca -0.15 -0.70 -0.17 0.00 -0.03 0.00 0.00 56.01 54.96 1xkw n LEU 116 Cb 0.45 -2.86 -0.00 0.00 -2.33 0.00 0.00 43.42 38.68 1xkw n LEU 116 CO 0.21 0.46 -0.19 0.18 -1.33 0.00 0.00 177.39 176.72 1xkw n LEU 117 N -4.46 -1.64 0.00 2.23 4.77 -1.26 -0.76 117.00 115.88 1xkw n LEU 117 Ca -0.17 0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 55.76 1xkw n LEU 117 Cb 0.62 -2.58 0.01 0.00 -2.33 0.00 0.00 43.42 39.15 1xkw n LEU 117 CO 0.67 -0.13 0.35 1.07 -1.33 0.00 0.00 177.39 178.02 1xkw n THR 118 N -3.78 0.00 -3.74 -5.08 5.66 -1.09 -3.64 114.28 102.60 1xkw n THR 118 Ca -0.19 -1.04 -0.36 0.00 -3.05 0.00 0.00 64.05 59.42 1xkw n THR 118 Cb 0.65 0.86 -0.07 0.00 -1.55 0.00 0.00 70.33 70.21 1xkw n THR 118 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1xkw s THR 119 N -2.40 5.41 -0.04 1.09 2.01 -1.26 -0.57 115.64 119.87 1xkw s THR 119 Ca 0.17 0.26 -0.04 0.00 0.31 0.00 0.00 61.69 62.39 1xkw s THR 119 Cb -0.03 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1xkw s THR 119 CO 0.12 0.49 0.15 0.00 -0.69 0.00 0.00 174.62 174.69 1xkw s ALA 120 N -0.05 3.87 0.03 7.40 0.00 0.19 -4.93 121.76 128.27 1xkw s ALA 120 Ca 0.11 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.41 1xkw s ALA 120 Cb -0.12 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 1xkw s ALA 120 CO 0.01 0.70 -0.23 0.71 0.00 0.00 0.00 175.76 176.95 1xkw s TYR 121 N -1.22 2.42 -0.01 0.00 2.02 -1.26 -0.33 117.35 118.97 1xkw s TYR 121 Ca 0.23 -0.35 0.04 0.00 -0.37 0.00 0.00 57.07 56.62 1xkw s TYR 121 Cb -0.12 -1.44 -0.01 0.00 -0.40 0.00 0.00 41.96 39.99 1xkw s TYR 121 CO 0.14 0.16 -0.12 0.71 -1.57 0.00 0.00 175.55 174.87 1xkw s TYR 122 N -0.83 1.11 -0.06 2.71 1.51 0.31 -0.82 117.35 121.27 1xkw s TYR 122 Ca 0.13 -0.22 -0.00 0.00 -1.01 0.00 0.00 57.07 55.96 1xkw s TYR 122 Cb -0.10 -0.73 0.02 0.00 -0.11 0.00 0.00 41.96 41.05 1xkw s TYR 122 CO 0.03 -0.04 -0.03 0.08 -1.11 0.00 0.00 175.55 174.48 1xkw s VAL 123 N -0.21 0.52 -1.54 0.71 1.01 0.21 -0.70 120.40 120.40 1xkw s VAL 123 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1xkw s VAL 123 Cb -0.06 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.73 1xkw s VAL 123 CO -0.00 0.26 0.18 0.54 0.00 0.00 0.00 175.10 176.08 1xkw n ARG 124 N 4.65 -2.70 -0.14 2.72 1.74 -1.26 -1.95 116.66 119.73 1xkw n ARG 124 Ca -0.15 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 1xkw n ARG 124 Cb 0.50 -5.56 0.00 0.00 -1.02 0.00 0.00 32.46 26.38 1xkw n ARG 124 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xkw n GLY 125 N -1.10 0.85 3.45 -0.13 0.00 -1.26 -4.87 105.19 102.13 1xkw n GLY 125 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 1xkw n GLY 125 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xkw s PHE 126 N -2.47 2.32 -0.11 1.61 0.08 -0.82 -4.78 117.98 113.81 1xkw s PHE 126 Ca 0.00 -0.34 -0.30 0.00 0.12 0.00 0.00 56.93 56.41 1xkw s PHE 126 Cb 0.00 -1.10 -0.01 0.00 -0.57 0.00 0.00 43.02 41.34 1xkw s PHE 126 CO 0.00 0.57 1.09 0.21 -0.10 0.00 0.00 175.22 176.99 1xkw s LYS 127 N -2.97 4.36 0.07 0.44 2.20 -1.26 -0.62 119.74 121.97 1xkw s LYS 127 Ca 0.24 1.49 -0.31 0.00 -0.36 0.00 0.00 55.97 57.04 1xkw s LYS 127 Cb -0.07 -3.58 -0.07 0.00 -1.51 0.00 0.00 37.83 32.60 1xkw s LYS 127 CO 0.12 -0.43 1.49 0.08 -0.36 0.00 0.00 175.35 176.24 1xkw s VAL 128 N 2.36 3.28 0.00 4.02 1.01 -0.01 -4.63 120.40 126.44 1xkw s VAL 128 Ca 0.50 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1xkw s VAL 128 Cb -0.20 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1xkw s VAL 128 CO 0.17 0.02 0.70 -0.90 0.00 0.00 0.00 175.10 175.09 1xkw n ASP 129 N 4.86 0.00 -4.05 3.32 5.75 -1.26 -4.71 116.55 120.46 1xkw n ASP 129 Ca 0.13 -1.43 -0.32 0.00 -0.01 0.00 0.00 54.79 53.16 1xkw n ASP 129 Cb 0.42 -0.09 -0.14 0.00 -1.03 0.00 0.00 41.12 40.28 1xkw n ASP 129 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1xkw s SER 130 N -0.43 4.89 0.08 -1.12 0.01 -1.25 -4.90 113.70 110.99 1xkw s SER 130 Ca 0.00 -2.09 0.09 0.00 1.31 0.00 0.00 55.95 55.26 1xkw s SER 130 Cb 0.00 -1.68 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 1xkw s SER 130 CO 0.00 -0.42 -0.22 -0.36 0.41 0.00 0.00 173.24 172.65 1xkw s PHE 131 N 0.98 2.45 0.03 2.43 0.40 -1.26 -0.94 117.98 122.06 1xkw s PHE 131 Ca 0.09 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.12 1xkw s PHE 131 Cb -0.20 -1.37 -0.02 0.00 0.51 0.00 0.00 43.02 41.94 1xkw s PHE 131 CO -0.07 0.28 -0.07 -1.21 0.70 0.00 0.00 175.22 174.85 1xkw s GLU 132 N -1.71 0.49 -0.21 0.44 2.02 0.13 -0.54 118.70 119.32 1xkw s GLU 132 Ca 0.15 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.48 1xkw s GLU 132 Cb -0.10 -0.27 0.03 0.00 0.10 0.00 0.00 34.13 33.89 1xkw s GLU 132 CO 0.06 0.05 -0.15 -0.51 0.02 0.00 0.00 175.26 174.73 1xkw s LEU 133 N -1.36 2.68 -1.58 1.80 1.43 -0.27 -0.74 118.68 120.65 1xkw s LEU 133 Ca -0.09 -0.87 -0.15 0.00 -1.03 0.00 0.00 54.13 51.99 1xkw s LEU 133 Cb -0.09 -1.54 0.10 0.00 0.03 0.00 0.00 46.19 44.69 1xkw s LEU 133 CO 0.00 -0.07 0.94 0.47 0.23 0.00 0.00 176.35 177.92 1xkw n ASP 134 N 4.59 -4.47 0.00 2.29 8.00 -0.46 -1.32 116.55 125.17 1xkw n ASP 134 Ca -0.18 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1xkw n ASP 134 Cb 0.47 -3.62 0.00 0.00 -0.02 0.00 0.00 41.12 37.96 1xkw n ASP 134 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xkw n GLY 135 N -1.62 0.89 3.62 0.44 0.00 -1.26 -5.02 105.19 102.22 1xkw n GLY 135 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1xkw n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xkw s VAL 136 N -3.60 4.78 0.11 1.61 1.01 -0.44 -5.00 120.40 118.88 1xkw s VAL 136 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 61.98 61.59 1xkw s VAL 136 Cb 0.00 -3.17 -0.16 0.00 0.00 0.00 0.00 36.38 33.05 1xkw s VAL 136 CO 0.00 0.44 1.35 -2.65 0.00 0.00 0.00 175.10 174.24 1xkw n PRO 137 N 3.73 1.29 -4.42 2.72 -0.02 -1.26 -1.12 135.00 135.91 1xkw n PRO 137 Ca -0.16 0.46 -0.26 0.00 -2.02 0.00 0.00 63.50 61.52 1xkw n PRO 137 Cb 0.52 -2.11 -0.11 0.00 -0.02 0.00 0.00 33.50 31.79 1xkw n PRO 137 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xkw s ALA 138 N 0.46 2.67 -0.85 3.55 0.00 0.30 -4.82 121.76 123.07 1xkw s ALA 138 Ca 0.82 -1.71 -0.19 0.00 0.00 0.00 0.00 51.96 50.89 1xkw s ALA 138 Cb -0.90 -0.36 0.13 0.00 0.00 0.00 0.00 23.12 21.99 1xkw s ALA 138 CO 0.46 0.38 1.02 -1.17 0.00 0.00 0.00 175.76 176.45 1xkw s LEU 139 N -3.00 5.25 0.05 0.00 2.96 -1.26 -4.52 118.68 118.16 1xkw s LEU 139 Ca 0.25 -1.95 0.02 0.00 -0.22 0.00 0.00 54.13 52.22 1xkw s LEU 139 Cb -0.07 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 1xkw s LEU 139 CO 0.12 -1.04 -0.08 -0.76 -1.32 0.00 0.00 176.35 173.27 1xkw s LEU 140 N 2.49 2.29 0.00 -0.68 1.43 -1.26 -4.85 118.68 118.11 1xkw s LEU 140 Ca 0.27 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1xkw s LEU 140 Cb -0.09 -0.15 0.00 0.00 0.03 0.00 0.00 46.19 45.98 1xkw s LEU 140 CO -0.06 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 176.89 1xkw n GLY 141 N 1.23 1.68 3.82 -3.19 0.00 -1.26 -4.83 105.19 102.64 1xkw n GLY 141 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1xkw n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xkw s ASN 142 N -3.31 3.17 0.13 1.61 4.22 -1.26 -4.86 114.94 114.64 1xkw s ASN 142 Ca 0.00 0.69 -0.35 0.00 -2.14 0.00 0.00 52.86 51.07 1xkw s ASN 142 Cb 0.00 -1.06 -0.16 0.00 1.28 0.00 0.00 41.25 41.31 1xkw s ASN 142 CO 0.00 -2.74 1.37 0.41 -2.04 0.00 0.00 177.10 174.11 1xkw n THR 143 N -3.85 0.25 -1.48 0.54 -1.04 -1.26 -1.21 114.28 106.23 1xkw n THR 143 Ca 0.10 -0.06 -0.17 0.00 -2.04 0.00 0.00 64.05 61.88 1xkw n THR 143 Cb 0.60 -1.06 -0.07 0.00 -1.82 0.00 0.00 70.33 67.97 1xkw n THR 143 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xkw n ALA 144 N 2.50 -0.25 -1.72 2.41 0.00 0.06 -4.93 120.51 118.59 1xkw n ALA 144 Ca 0.17 0.27 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 1xkw n ALA 144 Cb 0.24 -1.81 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 1xkw n ALA 144 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xkw n SER 145 N -0.95 3.94 -4.73 0.00 2.88 -0.35 -4.91 113.62 109.51 1xkw n SER 145 Ca -0.17 1.06 -0.36 0.00 -1.33 0.00 0.00 58.87 58.08 1xkw n SER 145 Cb 0.59 -1.57 0.07 0.00 -0.75 0.00 0.00 64.21 62.56 1xkw n SER 145 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1xkw s SER 146 N 1.14 4.49 0.83 -3.46 0.15 -1.26 -4.63 113.70 110.96 1xkw s SER 146 Ca 0.75 2.53 -0.12 0.00 0.70 0.00 0.00 55.95 59.81 1xkw s SER 146 Cb -0.52 -2.61 0.10 0.00 -1.71 0.00 0.00 66.02 61.28 1xkw s SER 146 CO 0.33 -2.08 1.17 -2.84 1.20 0.00 0.00 173.24 171.02 1xkw s PRO 147 N -3.54 1.56 -0.14 5.44 0.02 -1.26 -4.98 135.00 132.10 1xkw s PRO 147 Ca 0.80 1.62 0.01 0.00 0.02 0.00 0.00 61.00 63.45 1xkw s PRO 147 Cb -0.35 -1.78 0.02 0.00 0.02 0.00 0.00 34.50 32.41 1xkw s PRO 147 CO 0.41 -2.24 -0.16 -0.65 -0.33 0.00 0.00 177.00 174.03 1xkw s GLN 148 N -4.36 2.39 0.15 5.54 -1.52 -1.26 -5.04 119.66 115.56 1xkw s GLN 148 Ca 0.70 -0.61 -0.28 0.00 -1.95 0.00 0.00 55.36 53.22 1xkw s GLN 148 Cb -0.25 -2.09 -0.07 0.00 -0.22 0.00 0.00 33.01 30.37 1xkw s GLN 148 CO 0.53 -0.15 0.87 0.34 -0.25 0.00 0.00 175.29 176.63 1xkw s ASP 149 N 1.23 7.45 0.00 5.90 -1.08 -1.26 -0.75 116.67 128.16 1xkw s ASP 149 Ca -0.00 1.73 0.27 0.00 -0.52 0.00 0.00 52.55 54.03 1xkw s ASP 149 Cb -0.14 -2.55 1.18 0.00 -1.46 0.00 0.00 42.92 39.95 1xkw s ASP 149 CO -0.07 0.08 1.81 0.23 0.52 0.00 0.00 175.17 177.75 1xkw n MET 150 N 2.13 1.51 0.22 4.34 2.81 -0.08 -4.46 117.12 123.60 1xkw n MET 150 Ca -0.02 -0.75 0.17 0.00 -1.81 0.00 0.00 57.70 55.29 1xkw n MET 150 Cb 0.49 -1.46 0.85 0.00 -0.71 0.00 0.00 33.22 32.38 1xkw n MET 150 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xkw h ALA 151 N 4.21 1.74 -0.13 3.04 0.00 -1.91 -2.64 119.26 123.56 1xkw h ALA 151 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xkw h ALA 151 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xkw h ALA 151 CO 0.00 -0.26 0.00 0.44 0.00 0.00 0.00 179.25 179.43 1xkw n ILE 152 N -3.76 0.14 -4.04 0.00 -5.35 -1.26 -4.97 119.36 100.13 1xkw n ILE 152 Ca 0.01 -0.52 -0.36 0.00 -0.27 0.00 0.00 62.75 61.61 1xkw n ILE 152 Cb 0.29 1.15 -0.07 0.00 -1.74 0.00 0.00 39.64 39.27 1xkw n ILE 152 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1xkw s TYR 153 N -1.86 3.45 -0.02 4.28 2.02 -1.00 -0.79 117.35 123.44 1xkw s TYR 153 Ca 0.32 0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 57.25 1xkw s TYR 153 Cb 0.21 -1.87 -0.33 0.00 -0.40 0.00 0.00 41.96 39.57 1xkw s TYR 153 CO 0.31 0.64 0.87 1.49 -1.57 0.00 0.00 175.55 177.28 1xkw h GLU 154 N 4.83 0.43 -2.57 -0.62 4.57 -0.11 -3.44 114.58 117.66 1xkw h GLU 154 Ca -0.53 -0.74 0.12 0.00 -1.18 0.00 0.00 59.36 57.03 1xkw h GLU 154 Cb 1.21 0.27 -0.09 0.00 -0.16 0.00 0.00 28.75 29.99 1xkw h GLU 154 CO 0.58 1.35 0.39 -0.98 -1.18 0.00 0.00 179.01 179.18 1xkw s ARG 155 N -2.54 1.31 -0.17 1.92 1.70 -1.17 -2.65 118.95 117.34 1xkw s ARG 155 Ca -0.13 -0.67 0.01 0.00 -0.47 0.00 0.00 55.73 54.47 1xkw s ARG 155 Cb 0.04 0.48 0.02 0.00 -0.57 0.00 0.00 34.95 34.91 1xkw s ARG 155 CO 0.89 -0.59 -0.20 0.08 -1.08 0.00 0.00 175.30 174.40 1xkw s VAL 156 N -3.48 2.01 -0.15 4.99 1.01 -0.54 -1.85 120.40 122.39 1xkw s VAL 156 Ca 0.10 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 1xkw s VAL 156 Cb -0.02 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1xkw s VAL 156 CO 0.00 0.53 0.08 -1.61 0.00 0.00 0.00 175.10 174.11 1xkw s GLU 157 N 1.27 3.67 -0.13 2.72 2.02 0.01 -0.35 118.70 127.91 1xkw s GLU 157 Ca 0.04 -0.28 -0.01 0.00 0.02 0.00 0.00 54.97 54.74 1xkw s GLU 157 Cb -0.13 -3.16 0.03 0.00 0.10 0.00 0.00 34.13 30.97 1xkw s GLU 157 CO -0.12 0.50 -0.06 0.42 0.02 0.00 0.00 175.26 176.02 1xkw s ILE 158 N -0.25 1.02 -0.28 -1.63 1.01 -0.44 -0.43 121.20 120.20 1xkw s ILE 158 Ca 0.09 -0.39 -0.09 0.00 0.00 0.00 0.00 60.65 60.25 1xkw s ILE 158 Cb -0.12 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 1xkw s ILE 158 CO 0.01 0.28 0.14 -0.22 0.00 0.00 0.00 174.94 175.15 1xkw s LEU 159 N 1.70 3.88 -0.54 2.97 0.20 -0.29 -1.65 118.68 124.94 1xkw s LEU 159 Ca 0.03 -0.27 -0.17 0.00 0.69 0.00 0.00 54.13 54.42 1xkw s LEU 159 Cb -0.13 -2.01 0.10 0.00 -0.43 0.00 0.00 46.19 43.71 1xkw s LEU 159 CO -0.08 -0.10 0.56 -0.13 -0.29 0.00 0.00 176.35 176.31 1xkw s ARG 160 N 1.66 3.02 0.00 1.98 0.52 0.65 -1.17 118.95 125.61 1xkw s ARG 160 Ca 0.06 -1.40 0.00 0.00 -0.52 0.00 0.00 55.73 53.87 1xkw s ARG 160 Cb -0.16 -4.23 0.00 0.00 0.52 0.00 0.00 34.95 31.08 1xkw s ARG 160 CO 0.07 -1.32 0.00 0.41 0.02 0.00 0.00 175.30 174.48 1xkw n GLY 161 N 5.24 -1.82 3.75 -3.53 0.00 -0.72 -3.99 105.19 104.12 1xkw n GLY 161 Ca -0.11 -1.27 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 1xkw n GLY 161 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xkw s SER 162 N -2.81 7.43 -0.29 1.61 0.01 -1.26 -3.89 113.70 114.51 1xkw s SER 162 Ca 0.00 2.07 0.20 0.00 1.31 0.00 0.00 55.95 59.53 1xkw s SER 162 Cb 0.00 -2.61 0.49 0.00 0.21 0.00 0.00 66.02 64.10 1xkw s SER 162 CO 0.00 -0.04 1.05 -3.20 0.41 0.00 0.00 173.24 171.47 1xkw n ASN 163 N 1.68 1.73 0.24 2.44 5.15 -1.26 -4.75 115.26 120.48 1xkw n ASN 163 Ca -0.00 -2.39 0.10 0.00 -0.60 0.00 0.00 54.58 51.69 1xkw n ASN 163 Cb 0.46 -0.49 0.60 0.00 -0.53 0.00 0.00 39.78 39.82 1xkw n ASN 163 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1xkw h GLY 164 N 2.74 0.00 0.66 8.20 0.00 -1.65 -1.87 103.07 111.14 1xkw h GLY 164 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1xkw h GLY 164 CO 0.34 0.00 -0.19 -2.00 0.00 0.00 0.00 176.54 174.69 1xkw h LEU 165 N 0.00 -0.44 0.00 3.11 5.85 -1.87 -2.90 115.31 119.06 1xkw h LEU 165 Ca -0.00 -0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.45 1xkw h LEU 165 Cb 0.46 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1xkw h LEU 165 CO 0.02 -0.07 -1.05 -0.07 -0.34 0.00 0.00 178.44 176.93 1xkw h LEU 166 N -0.86 0.00 0.00 2.25 3.38 -1.94 -3.42 115.31 114.72 1xkw h LEU 166 Ca -0.05 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.67 1xkw h LEU 166 Cb 0.54 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1xkw h LEU 166 CO 0.09 0.52 -1.91 1.57 0.09 0.00 0.00 178.44 178.79 1xkw n HIS 167 N -3.00 0.00 0.00 1.13 -0.00 -0.71 -5.04 115.22 107.60 1xkw n HIS 167 Ca -0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.13 1xkw n HIS 167 Cb 0.78 -0.61 0.00 0.00 -0.12 0.00 0.00 29.99 30.04 1xkw n HIS 167 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xkw n GLY 168 N 2.66 -0.05 3.59 1.57 0.00 -1.10 -4.92 105.19 106.93 1xkw n GLY 168 Ca -0.29 -2.13 -0.36 0.00 0.00 0.00 0.00 46.02 43.25 1xkw n GLY 168 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xkw n THR 169 N 0.00 2.56 -3.01 2.61 -2.24 -1.26 -4.18 114.28 108.76 1xkw n THR 169 Ca 0.00 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1xkw n THR 169 Cb 0.00 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 1xkw n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xkw n GLY 170 N 1.17 -1.50 3.87 3.38 0.00 -0.71 -4.91 105.19 106.49 1xkw n GLY 170 Ca 0.12 -1.30 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 1xkw n GLY 170 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xkw s ASN 171 N -3.24 5.95 -1.46 1.61 0.01 -1.26 -3.73 114.94 112.81 1xkw s ASN 171 Ca 0.00 0.04 -0.13 0.00 -0.71 0.00 0.00 52.86 52.06 1xkw s ASN 171 Cb 0.00 -1.69 0.00 0.00 0.41 0.00 0.00 41.25 39.97 1xkw s ASN 171 CO 0.00 0.08 2.37 -0.81 -1.51 0.00 0.00 177.10 177.22 1xkw n PRO 172 N -0.33 2.96 0.00 -0.60 -0.04 -1.26 -4.35 135.00 131.38 1xkw n PRO 172 Ca -0.07 -2.48 0.00 0.00 -0.04 0.00 0.00 63.50 60.91 1xkw n PRO 172 Cb 0.54 -3.17 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 1xkw n PRO 172 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xkw n ALA 173 N 5.62 1.97 -3.48 0.55 0.00 -1.25 -4.73 120.51 119.19 1xkw n ALA 173 Ca 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.91 1xkw n ALA 173 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 1xkw n ALA 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xkw s ALA 174 N -2.00 -1.64 -0.14 0.00 0.00 -1.26 -1.75 121.76 114.98 1xkw s ALA 174 Ca 0.00 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.55 1xkw s ALA 174 Cb 0.00 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1xkw s ALA 174 CO 0.00 -0.77 -0.18 0.99 0.00 0.00 0.00 175.76 175.79 1xkw s THR 175 N -3.57 2.43 -0.28 0.00 2.01 -0.31 -3.91 115.64 112.01 1xkw s THR 175 Ca 0.03 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.13 1xkw s THR 175 Cb -0.01 -2.00 0.02 0.00 0.01 0.00 0.00 72.50 70.52 1xkw s THR 175 CO -0.10 0.53 0.02 -0.69 -0.69 0.00 0.00 174.62 173.69 1xkw s VAL 176 N 0.70 3.44 -0.27 3.82 1.01 -0.12 -1.14 120.40 127.84 1xkw s VAL 176 Ca -0.08 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 1xkw s VAL 176 Cb -0.16 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1xkw s VAL 176 CO 0.01 0.09 0.08 0.21 0.00 0.00 0.00 175.10 175.49 1xkw s ASN 177 N 1.40 5.13 -0.41 3.32 2.47 0.43 -0.69 114.94 126.58 1xkw s ASN 177 Ca 0.01 -0.39 -0.17 0.00 0.42 0.00 0.00 52.86 52.73 1xkw s ASN 177 Cb -0.17 -1.91 0.02 0.00 -1.45 0.00 0.00 41.25 37.74 1xkw s ASN 177 CO -0.01 -0.10 0.42 -0.76 -3.72 0.00 0.00 177.10 172.94 1xkw s LEU 178 N 1.58 4.84 -0.26 3.21 1.43 0.09 -0.81 118.68 128.76 1xkw s LEU 178 Ca 0.05 -0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 52.32 1xkw s LEU 178 Cb -0.16 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 1xkw s LEU 178 CO 0.03 -0.55 0.52 -0.69 0.23 0.00 0.00 176.35 175.89 1xkw s VAL 179 N 2.09 5.07 0.46 -1.59 1.01 -0.77 -1.35 120.40 125.32 1xkw s VAL 179 Ca 0.11 0.89 -0.20 0.00 0.00 0.00 0.00 61.98 62.79 1xkw s VAL 179 Cb -0.17 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 1xkw s VAL 179 CO 0.13 0.09 0.97 -0.13 0.00 0.00 0.00 175.10 176.16 1xkw s ARG 180 N 2.30 4.09 0.49 2.72 0.52 -1.26 0.55 118.95 128.37 1xkw s ARG 180 Ca 0.21 1.10 -0.23 0.00 -0.52 0.00 0.00 55.73 56.29 1xkw s ARG 180 Cb -0.16 -2.16 -0.06 0.00 0.52 0.00 0.00 34.95 33.09 1xkw s ARG 180 CO 0.09 -0.16 1.35 0.15 0.02 0.00 0.00 175.30 176.76 1xkw s LYS 181 N -3.45 3.45 0.25 3.54 1.02 0.03 -4.48 119.74 120.09 1xkw s LYS 181 Ca 0.62 2.23 0.11 0.00 0.02 0.00 0.00 55.97 58.95 1xkw s LYS 181 Cb -0.10 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.72 1xkw s LYS 181 CO 0.19 -0.95 -0.20 1.03 -0.92 0.00 0.00 175.35 174.51 1xkw s ARG 182 N -2.68 1.57 0.17 1.68 1.81 -1.26 -4.98 118.95 115.25 1xkw s ARG 182 Ca 0.66 -1.68 -0.30 0.00 -1.72 0.00 0.00 55.73 52.69 1xkw s ARG 182 Cb -0.40 -1.65 -0.08 0.00 -0.45 0.00 0.00 34.95 32.37 1xkw s ARG 182 CO 0.49 0.31 1.32 -1.25 -0.68 0.00 0.00 175.30 175.49 1xkw s PRO 183 N -3.34 4.38 0.45 3.54 0.04 -1.26 -4.88 135.00 133.92 1xkw s PRO 183 Ca 0.26 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.22 1xkw s PRO 183 Cb -0.05 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 31.21 1xkw s PRO 183 CO 0.12 -0.29 0.84 -0.65 0.04 0.00 0.00 177.00 177.06 1xkw s GLN 184 N 0.26 3.81 0.35 4.56 1.11 -1.26 -4.67 119.66 123.82 1xkw s GLN 184 Ca 0.59 0.60 0.23 0.00 0.01 0.00 0.00 55.36 56.79 1xkw s GLN 184 Cb -0.36 -2.31 0.33 0.00 -1.01 0.00 0.00 33.01 29.66 1xkw s GLN 184 CO 0.36 -0.13 1.50 0.00 0.01 0.00 0.00 175.29 177.03 1xkw h ARG 185 N 1.06 0.00 -6.41 2.91 3.08 -1.90 -3.21 114.38 109.91 1xkw h ARG 185 Ca -0.47 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 58.96 1xkw h ARG 185 Cb 1.19 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 31.00 1xkw h ARG 185 CO 0.63 0.00 -0.85 -2.00 -1.07 0.00 0.00 179.97 176.68 1xkw s GLU 186 N -3.23 1.37 0.42 0.04 2.12 -1.26 -4.04 118.70 114.13 1xkw s GLU 186 Ca 0.06 -1.14 -0.24 0.00 0.36 0.00 0.00 54.97 54.02 1xkw s GLU 186 Cb 0.07 -1.64 -0.11 0.00 0.26 0.00 0.00 34.13 32.72 1xkw s GLU 186 CO 0.69 0.40 0.89 0.34 -0.54 0.00 0.00 175.26 177.04 1xkw n PHE 187 N 1.37 0.75 -3.64 5.30 7.35 -1.26 -4.46 117.46 122.87 1xkw n PHE 187 Ca -0.18 0.57 -0.10 0.00 -0.76 0.00 0.00 57.45 56.98 1xkw n PHE 187 Cb 0.53 -2.17 -0.07 0.00 0.35 0.00 0.00 39.48 38.13 1xkw n PHE 187 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xkw s ALA 188 N -1.32 -1.87 0.03 3.13 0.00 0.03 -4.95 121.76 116.80 1xkw s ALA 188 Ca 0.64 2.20 -0.00 0.00 0.00 0.00 0.00 51.96 54.80 1xkw s ALA 188 Cb -0.57 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 1xkw s ALA 188 CO 0.57 -0.35 -0.03 0.00 0.00 0.00 0.00 175.76 175.95 1xkw s ALA 189 N 0.98 0.24 0.07 0.00 0.00 -0.77 -0.60 121.76 121.68 1xkw s ALA 189 Ca -0.05 -0.79 -0.19 0.00 0.00 0.00 0.00 51.96 50.94 1xkw s ALA 189 Cb -0.05 0.19 0.04 0.00 0.00 0.00 0.00 23.12 23.30 1xkw s ALA 189 CO -0.10 -0.23 0.44 -1.54 0.00 0.00 0.00 175.76 174.34 1xkw s SER 190 N -1.93 -0.32 0.05 0.00 1.04 0.86 -0.52 113.70 112.88 1xkw s SER 190 Ca -0.09 -0.05 -0.06 0.00 0.48 0.00 0.00 55.95 56.23 1xkw s SER 190 Cb -0.04 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 1xkw s SER 190 CO -0.04 -0.75 0.11 0.42 0.98 0.00 0.00 173.24 173.96 1xkw s THR 191 N -2.92 0.14 -0.03 2.02 -4.23 -0.23 -0.70 115.64 109.70 1xkw s THR 191 Ca -0.03 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1xkw s THR 191 Cb 0.00 -1.06 0.03 0.00 1.34 0.00 0.00 72.50 72.81 1xkw s THR 191 CO -0.06 -0.65 0.01 -0.89 -0.54 0.00 0.00 174.62 172.50 1xkw s THR 192 N -3.00 0.10 -0.06 3.99 2.01 -0.51 -0.89 115.64 117.28 1xkw s THR 192 Ca -0.02 0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.16 1xkw s THR 192 Cb 0.01 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.31 1xkw s THR 192 CO -0.06 0.13 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.09 1xkw s LEU 193 N 1.12 1.81 -0.09 4.42 1.43 0.25 -1.11 118.68 126.51 1xkw s LEU 193 Ca -0.08 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 1xkw s LEU 193 Cb -0.13 -0.92 0.03 0.00 0.03 0.00 0.00 46.19 45.20 1xkw s LEU 193 CO -0.02 0.10 0.22 -0.55 0.23 0.00 0.00 176.35 176.32 1xkw s SER 194 N 0.34 -0.23 -0.07 2.29 0.15 0.24 -0.36 113.70 116.06 1xkw s SER 194 Ca -0.10 0.45 0.01 0.00 0.70 0.00 0.00 55.95 57.01 1xkw s SER 194 Cb -0.14 0.41 0.02 0.00 -1.71 0.00 0.00 66.02 64.60 1xkw s SER 194 CO 0.03 -0.11 -0.09 0.00 1.20 0.00 0.00 173.24 174.28 1xkw s ALA 195 N 0.52 1.10 0.31 5.45 0.00 0.06 -0.78 121.76 128.42 1xkw s ALA 195 Ca -0.03 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.62 1xkw s ALA 195 Cb -0.05 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 1xkw s ALA 195 CO -0.03 -0.06 0.08 0.20 0.00 0.00 0.00 175.76 175.95 1xkw s GLY 196 N 1.01 2.02 0.59 0.00 0.00 0.10 -0.79 107.32 110.25 1xkw s GLY 196 Ca -0.09 -1.90 -0.19 0.00 0.00 0.00 0.00 44.72 42.54 1xkw s GLY 196 CO -0.00 -1.74 1.02 -2.13 0.00 0.00 0.00 173.10 170.25 1xkw n ARG 197 N -0.63 0.99 -3.16 2.90 0.63 -0.48 -1.78 116.66 115.13 1xkw n ARG 197 Ca -0.02 0.38 -0.16 0.00 -0.92 0.00 0.00 57.85 57.14 1xkw n ARG 197 Cb 0.66 -2.22 0.05 0.00 0.45 0.00 0.00 32.46 31.40 1xkw n ARG 197 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 1xkw n TRP 198 N -1.64 -1.83 -3.71 -0.14 8.01 -1.26 -3.91 117.44 112.97 1xkw n TRP 198 Ca 0.13 0.63 -0.29 0.00 -1.31 0.00 0.00 57.50 56.66 1xkw n TRP 198 Cb 0.47 -3.63 0.03 0.00 -2.01 0.00 0.00 31.31 26.17 1xkw n TRP 198 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1xkw n ASP 199 N -1.43 -4.24 -4.42 -0.99 8.00 -1.11 -1.82 116.55 110.54 1xkw n ASP 199 Ca -0.01 -0.99 -0.41 0.00 0.71 0.00 0.00 54.79 54.09 1xkw n ASP 199 Cb 0.55 -3.46 -0.11 0.00 -0.02 0.00 0.00 41.12 38.08 1xkw n ASP 199 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1xkw s ARG 200 N -6.01 2.95 -0.13 -1.24 3.52 -0.73 -2.87 118.95 114.44 1xkw s ARG 200 Ca 0.36 -1.01 0.03 0.00 -0.13 0.00 0.00 55.73 54.98 1xkw s ARG 200 Cb -0.13 -3.83 0.01 0.00 -1.56 0.00 0.00 34.95 29.45 1xkw s ARG 200 CO 0.86 -0.69 -0.20 0.71 -0.81 0.00 0.00 175.30 175.16 1xkw s TYR 201 N 1.62 2.47 0.00 5.12 2.02 0.17 0.00 117.35 128.74 1xkw s TYR 201 Ca 0.04 -1.19 0.02 0.00 -0.37 0.00 0.00 57.07 55.57 1xkw s TYR 201 Cb -0.19 -1.69 -0.01 0.00 -0.40 0.00 0.00 41.96 39.67 1xkw s TYR 201 CO 0.08 -0.55 -0.07 0.50 -1.57 0.00 0.00 175.55 173.94 1xkw s ARG 202 N 0.79 0.55 -0.01 -0.62 3.52 0.04 -1.43 118.95 121.79 1xkw s ARG 202 Ca -0.09 -0.30 0.02 0.00 -0.13 0.00 0.00 55.73 55.23 1xkw s ARG 202 Cb -0.16 -0.51 -0.01 0.00 -1.56 0.00 0.00 34.95 32.72 1xkw s ARG 202 CO -0.00 0.14 -0.08 0.00 -0.81 0.00 0.00 175.30 174.55 1xkw s ALA 203 N -0.29 0.66 0.01 6.12 0.00 0.50 -0.59 121.76 128.16 1xkw s ALA 203 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1xkw s ALA 203 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1xkw s ALA 203 CO -0.00 0.16 -0.02 -1.21 0.00 0.00 0.00 175.76 174.69 1xkw s GLU 204 N -0.16 0.16 -0.01 0.00 2.02 -0.27 -0.22 118.70 120.23 1xkw s GLU 204 Ca 0.03 -0.28 0.01 0.00 0.02 0.00 0.00 54.97 54.75 1xkw s GLU 204 Cb -0.03 0.02 -0.00 0.00 0.10 0.00 0.00 34.13 34.22 1xkw s GLU 204 CO -0.00 -0.02 -0.05 0.08 0.02 0.00 0.00 175.26 175.29 1xkw s VAL 205 N -0.65 0.39 -0.05 2.63 1.01 -0.10 -1.42 120.40 122.20 1xkw s VAL 205 Ca -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1xkw s VAL 205 Cb -0.05 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 36.03 1xkw s VAL 205 CO -0.00 0.11 0.04 -0.62 0.00 0.00 0.00 175.10 174.63 1xkw s ASP 206 N -0.05 1.25 -0.02 3.32 -1.08 0.12 -0.84 116.67 119.37 1xkw s ASP 206 Ca 0.01 0.03 0.01 0.00 -0.52 0.00 0.00 52.55 52.08 1xkw s ASP 206 Cb -0.03 -0.23 0.01 0.00 -1.46 0.00 0.00 42.92 41.21 1xkw s ASP 206 CO -0.00 -0.23 -0.05 -0.69 0.52 0.00 0.00 175.17 174.72 1xkw s VAL 207 N 2.07 0.47 0.20 1.11 1.01 -0.45 -0.10 120.40 124.72 1xkw s VAL 207 Ca 0.05 -0.17 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 1xkw s VAL 207 Cb -0.12 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.83 1xkw s VAL 207 CO -0.04 0.17 0.51 -0.83 0.00 0.00 0.00 175.10 174.91 1xkw s GLY 208 N 0.38 -0.03 0.00 4.51 0.00 0.23 -0.67 107.32 111.74 1xkw s GLY 208 Ca -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.38 1xkw s GLY 208 CO -0.00 -0.31 0.00 0.61 0.00 0.00 0.00 173.10 173.39 1xkw n GLY 209 N -0.34 -2.74 3.79 0.20 0.00 -0.49 -0.79 105.19 104.82 1xkw n GLY 209 Ca -0.09 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 1xkw n GLY 209 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xkw s PRO 210 N -1.99 3.42 0.00 1.61 0.04 -1.21 -1.14 135.00 135.72 1xkw s PRO 210 Ca 0.00 1.39 0.06 0.00 0.04 0.00 0.00 61.00 62.48 1xkw s PRO 210 Cb 0.00 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.61 1xkw s PRO 210 CO 0.00 -0.76 0.93 1.28 0.04 0.00 0.00 177.00 178.49 1xkw n LEU 211 N -1.55 2.03 -4.13 -3.56 4.77 0.23 -4.83 117.00 109.97 1xkw n LEU 211 Ca 0.10 -1.55 -0.09 0.00 -0.03 0.00 0.00 56.01 54.44 1xkw n LEU 211 Cb 0.52 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1xkw n LEU 211 CO 0.43 0.48 -0.37 -0.94 -1.33 0.00 0.00 177.39 175.66 1xkw s SER 212 N -0.77 0.80 0.20 -1.43 1.04 -1.22 -4.93 113.70 107.40 1xkw s SER 212 Ca 0.10 -0.99 -0.11 0.00 0.48 0.00 0.00 55.95 55.43 1xkw s SER 212 Cb 0.06 0.15 0.17 0.00 0.10 0.00 0.00 66.02 66.49 1xkw s SER 212 CO 0.08 -0.52 1.85 0.00 0.98 0.00 0.00 173.24 175.62 1xkw h ALA 213 N 3.11 0.89 0.00 5.32 0.00 -1.94 -2.53 119.26 124.11 1xkw h ALA 213 Ca -0.35 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1xkw h ALA 213 Cb 1.15 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1xkw h ALA 213 CO 0.65 0.21 -0.40 0.66 0.00 0.00 0.00 179.25 180.37 1xkw h SER 214 N 0.85 0.00 0.00 0.00 4.64 -1.97 -3.47 113.55 113.60 1xkw h SER 214 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1xkw h SER 214 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xkw h SER 214 CO -0.10 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 176.87 1xkw n GLY 215 N 0.30 0.81 0.00 -0.77 0.00 -0.95 -4.94 105.19 99.64 1xkw n GLY 215 Ca -0.00 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1xkw n GLY 215 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xkw n ASN 216 N 0.16 0.00 -3.87 1.61 6.94 -1.26 -4.47 115.26 114.37 1xkw n ASN 216 Ca 0.00 -0.33 -0.21 0.00 -0.02 0.00 0.00 54.58 54.01 1xkw n ASN 216 Cb 0.00 -0.18 -0.17 0.00 -2.36 0.00 0.00 39.78 37.08 1xkw n ASN 216 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1xkw s VAL 217 N -2.35 0.56 0.05 3.53 1.01 -1.26 -1.22 120.40 120.72 1xkw s VAL 217 Ca 0.28 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.21 1xkw s VAL 217 Cb 0.16 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 1xkw s VAL 217 CO 0.34 0.25 -0.11 -0.13 0.00 0.00 0.00 175.10 175.45 1xkw s ARG 218 N 1.22 0.66 0.09 2.72 0.52 -0.65 0.74 118.95 124.26 1xkw s ARG 218 Ca -0.06 -0.82 -0.04 0.00 -0.52 0.00 0.00 55.73 54.29 1xkw s ARG 218 Cb -0.14 -0.54 -0.03 0.00 0.52 0.00 0.00 34.95 34.76 1xkw s ARG 218 CO -0.02 0.11 0.07 0.20 0.02 0.00 0.00 175.30 175.68 1xkw s GLY 219 N -1.58 0.48 -0.15 -3.53 0.00 -0.29 -1.30 107.32 100.95 1xkw s GLY 219 Ca -0.06 -1.09 -0.20 0.00 0.00 0.00 0.00 44.72 43.37 1xkw s GLY 219 CO 0.01 -1.16 0.53 -1.60 0.00 0.00 0.00 173.10 170.88 1xkw s ARG 220 N -3.94 0.70 0.03 2.90 3.52 -0.14 -1.39 118.95 120.63 1xkw s ARG 220 Ca 0.11 0.54 0.02 0.00 -0.13 0.00 0.00 55.73 56.27 1xkw s ARG 220 Cb 0.07 0.33 -0.02 0.00 -1.56 0.00 0.00 34.95 33.77 1xkw s ARG 220 CO -0.07 -0.13 -0.06 0.00 -0.81 0.00 0.00 175.30 174.23 1xkw s ALA 221 N -0.16 0.43 -0.01 6.12 0.00 0.15 -1.19 121.76 127.10 1xkw s ALA 221 Ca -0.04 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1xkw s ALA 221 Cb -0.03 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.13 1xkw s ALA 221 CO 0.03 -0.03 -0.07 0.08 0.00 0.00 0.00 175.76 175.76 1xkw s VAL 222 N -1.17 0.59 -0.00 0.00 1.01 -0.37 -1.34 120.40 119.12 1xkw s VAL 222 Ca -0.09 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1xkw s VAL 222 Cb -0.09 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 1xkw s VAL 222 CO 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 175.10 175.17 1xkw s ALA 223 N -0.06 0.87 0.01 5.51 0.00 -0.02 -1.04 121.76 127.02 1xkw s ALA 223 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1xkw s ALA 223 Cb -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 1xkw s ALA 223 CO -0.00 0.21 -0.01 0.00 0.00 0.00 0.00 175.76 175.95 1xkw s ALA 224 N -0.29 0.08 -0.02 0.00 0.00 -0.76 -0.92 121.76 119.85 1xkw s ALA 224 Ca 0.04 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1xkw s ALA 224 Cb -0.04 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.12 1xkw s ALA 224 CO -0.00 -0.03 -0.03 -0.47 0.00 0.00 0.00 175.76 175.23 1xkw s TYR 225 N -0.37 0.47 -0.14 0.00 6.14 0.70 -1.19 117.35 122.96 1xkw s TYR 225 Ca -0.04 -0.08 -0.10 0.00 0.64 0.00 0.00 57.07 57.49 1xkw s TYR 225 Cb -0.03 -0.43 0.04 0.00 0.42 0.00 0.00 41.96 41.97 1xkw s TYR 225 CO -0.00 -0.10 0.35 -2.00 0.64 0.00 0.00 175.55 174.43 1xkw s GLU 226 N 0.57 0.36 -0.06 4.97 2.12 -0.65 -0.37 118.70 125.64 1xkw s GLU 226 Ca -0.06 0.58 0.04 0.00 0.36 0.00 0.00 54.97 55.89 1xkw s GLU 226 Cb -0.10 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.36 1xkw s GLU 226 CO -0.01 -0.10 -0.17 -0.51 -0.54 0.00 0.00 175.26 173.93 1xkw s ASP 227 N 0.76 2.22 0.05 -1.70 1.01 -0.51 0.36 116.67 118.87 1xkw s ASP 227 Ca -0.05 -0.38 -0.13 0.00 0.71 0.00 0.00 52.55 52.71 1xkw s ASP 227 Cb -0.06 -0.83 0.02 0.00 1.01 0.00 0.00 42.92 43.05 1xkw s ASP 227 CO -0.05 0.12 0.28 0.00 0.21 0.00 0.00 175.17 175.73 1xkw s ARG 228 N 0.30 0.82 0.14 8.23 1.70 -0.41 -0.66 118.95 129.07 1xkw s ARG 228 Ca -0.10 -0.59 0.01 0.00 -0.47 0.00 0.00 55.73 54.58 1xkw s ARG 228 Cb -0.14 0.35 0.01 0.00 -0.57 0.00 0.00 34.95 34.60 1xkw s ARG 228 CO 0.04 -0.26 0.11 -0.25 -1.08 0.00 0.00 175.30 173.85 1xkw n ASP 229 N 0.46 1.47 -4.07 -2.89 8.00 -0.76 -1.39 116.55 117.38 1xkw n ASP 229 Ca -0.18 -1.50 -0.20 0.00 0.71 0.00 0.00 54.79 53.62 1xkw n ASP 229 Cb 0.60 -0.01 -0.09 0.00 -0.02 0.00 0.00 41.12 41.60 1xkw n ASP 229 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1xkw s TYR 230 N -0.72 1.65 0.38 1.24 1.51 -1.24 -4.76 117.35 115.41 1xkw s TYR 230 Ca 0.08 -1.31 0.24 0.00 -1.01 0.00 0.00 57.07 55.07 1xkw s TYR 230 Cb -0.01 -0.94 1.26 0.00 -0.11 0.00 0.00 41.96 42.17 1xkw s TYR 230 CO 0.05 -0.43 2.01 0.27 -1.11 0.00 0.00 175.55 176.33 1xkw h PHE 231 N 2.16 0.00 -3.32 2.71 -5.15 -1.93 -3.41 116.94 108.01 1xkw h PHE 231 Ca -0.35 0.00 -0.56 0.00 -0.20 0.00 0.00 57.97 56.87 1xkw h PHE 231 Cb 1.25 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.39 1xkw h PHE 231 CO 1.01 0.17 -0.17 1.52 -2.00 0.00 0.00 178.31 178.84 1xkw s TYR 232 N -4.17 3.48 0.95 6.09 1.13 -1.26 -4.19 117.35 119.39 1xkw s TYR 232 Ca -0.03 0.81 -0.11 0.00 -1.41 0.00 0.00 57.07 56.34 1xkw s TYR 232 Cb 0.13 -2.20 0.17 0.00 -1.10 0.00 0.00 41.96 38.95 1xkw s TYR 232 CO 0.62 0.36 1.12 -0.51 -2.51 0.00 0.00 175.55 174.63 1xkw s ASP 233 N -2.21 2.65 0.00 -0.18 1.01 -0.50 -4.24 116.67 113.21 1xkw s ASP 233 Ca 0.43 2.04 0.00 0.00 0.71 0.00 0.00 52.55 55.73 1xkw s ASP 233 Cb -0.12 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1xkw s ASP 233 CO 0.21 -3.24 0.00 0.52 0.21 0.00 0.00 175.17 172.87 1xkw n VAL 234 N -4.32 0.00 -1.77 -1.27 0.31 -1.26 -4.72 118.33 105.31 1xkw n VAL 234 Ca 0.10 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.07 1xkw n VAL 234 Cb 0.53 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.52 1xkw n VAL 234 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xkw s ALA 235 N 0.00 2.38 0.34 3.52 0.00 -1.26 -4.87 121.76 121.86 1xkw s ALA 235 Ca 0.00 1.07 -0.14 0.00 0.00 0.00 0.00 51.96 52.89 1xkw s ALA 235 Cb 0.00 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.65 1xkw s ALA 235 CO 0.00 -1.51 0.68 0.16 0.00 0.00 0.00 175.76 175.09 1xkw s ASP 236 N -1.60 0.11 -0.28 0.00 1.47 -0.84 -3.63 116.67 111.90 1xkw s ASP 236 Ca 0.79 -1.07 -0.19 0.00 1.18 0.00 0.00 52.55 53.26 1xkw s ASP 236 Cb -0.33 0.76 0.08 0.00 -0.34 0.00 0.00 42.92 43.08 1xkw s ASP 236 CO 0.39 -1.48 0.70 -1.58 0.68 0.00 0.00 175.17 173.88 1xkw s GLN 237 N -2.99 0.75 -0.06 2.11 0.74 -0.48 -1.87 119.66 117.86 1xkw s GLN 237 Ca 0.18 1.14 0.05 0.00 0.05 0.00 0.00 55.36 56.78 1xkw s GLN 237 Cb -0.04 0.24 -0.01 0.00 1.10 0.00 0.00 33.01 34.30 1xkw s GLN 237 CO 0.12 -0.13 -0.22 0.20 -0.55 0.00 0.00 175.29 174.70 1xkw s GLY 238 N 1.17 1.35 -0.04 2.59 0.00 0.90 -1.29 107.32 112.00 1xkw s GLY 238 Ca -0.06 -1.03 0.06 0.00 0.00 0.00 0.00 44.72 43.69 1xkw s GLY 238 CO -0.12 -0.65 -0.23 -1.59 0.00 0.00 0.00 173.10 170.51 1xkw s THR 239 N -0.25 2.31 -0.04 0.90 2.01 0.16 -1.26 115.64 119.47 1xkw s THR 239 Ca -0.01 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.00 1xkw s THR 239 Cb -0.13 -1.84 0.03 0.00 0.01 0.00 0.00 72.50 70.56 1xkw s THR 239 CO 0.03 0.58 -0.01 -0.13 -0.69 0.00 0.00 174.62 174.39 1xkw s ARG 240 N -0.46 0.52 -0.01 4.92 1.81 -0.11 -1.64 118.95 123.97 1xkw s ARG 240 Ca 0.05 0.03 -0.02 0.00 -1.72 0.00 0.00 55.73 54.07 1xkw s ARG 240 Cb -0.11 -0.68 0.00 0.00 -0.45 0.00 0.00 34.95 33.70 1xkw s ARG 240 CO 0.01 -0.15 0.06 -1.17 -0.68 0.00 0.00 175.30 173.37 1xkw s LEU 241 N 1.17 1.81 -0.01 2.53 0.20 -0.33 -0.51 118.68 123.54 1xkw s LEU 241 Ca -0.07 -0.02 0.01 0.00 0.69 0.00 0.00 54.13 54.74 1xkw s LEU 241 Cb -0.14 0.26 0.01 0.00 -0.43 0.00 0.00 46.19 45.89 1xkw s LEU 241 CO -0.02 -0.11 -0.02 -0.22 -0.29 0.00 0.00 176.35 175.69 1xkw s LEU 242 N -0.39 1.75 -0.06 -0.68 2.96 -0.46 -1.82 118.68 119.97 1xkw s LEU 242 Ca -0.05 -0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.77 1xkw s LEU 242 Cb -0.03 -0.18 0.02 0.00 0.50 0.00 0.00 46.19 46.51 1xkw s LEU 242 CO 0.00 -0.01 0.15 -0.47 -1.32 0.00 0.00 176.35 174.71 1xkw s TYR 243 N 0.27 -0.17 0.00 5.38 5.04 -0.21 -1.01 117.35 126.65 1xkw s TYR 243 Ca -0.02 0.45 0.01 0.00 -2.44 0.00 0.00 57.07 55.06 1xkw s TYR 243 Cb -0.05 0.02 -0.01 0.00 0.35 0.00 0.00 41.96 42.27 1xkw s TYR 243 CO -0.01 -0.11 -0.02 0.20 -1.34 0.00 0.00 175.55 174.27 1xkw s GLY 244 N 0.43 0.12 -0.10 8.97 0.00 -0.51 -1.24 107.32 115.00 1xkw s GLY 244 Ca -0.03 -0.18 -0.10 0.00 0.00 0.00 0.00 44.72 44.41 1xkw s GLY 244 CO -0.02 -0.18 0.28 0.54 0.00 0.00 0.00 173.10 173.72 1xkw s VAL 245 N -0.30 0.00 0.03 1.40 0.11 -0.33 -0.72 120.40 120.58 1xkw s VAL 245 Ca -0.02 -0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.02 1xkw s VAL 245 Cb -0.02 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1xkw s VAL 245 CO -0.00 -0.02 -0.07 0.42 -3.33 0.00 0.00 175.10 172.10 1xkw s THR 246 N 0.07 0.53 0.01 5.04 -4.23 0.51 -0.97 115.64 116.59 1xkw s THR 246 Ca -0.01 -0.79 0.07 0.00 -1.18 0.00 0.00 61.69 59.78 1xkw s THR 246 Cb -0.02 -0.54 -0.02 0.00 1.34 0.00 0.00 72.50 73.26 1xkw s THR 246 CO 0.01 -0.20 -0.21 -1.61 -0.54 0.00 0.00 174.62 172.07 1xkw s GLU 247 N -1.07 1.54 -0.08 3.99 2.02 -0.42 -0.84 118.70 123.84 1xkw s GLU 247 Ca -0.05 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.11 1xkw s GLU 247 Cb -0.07 -1.57 0.02 0.00 0.10 0.00 0.00 34.13 32.61 1xkw s GLU 247 CO 0.00 0.42 -0.07 -0.06 0.02 0.00 0.00 175.26 175.57 1xkw s PHE 248 N -0.63 1.20 -0.76 1.61 0.40 0.77 -1.63 117.98 118.95 1xkw s PHE 248 Ca 0.08 -0.50 -0.22 0.00 -0.60 0.00 0.00 56.93 55.70 1xkw s PHE 248 Cb -0.08 -1.01 0.08 0.00 0.51 0.00 0.00 43.02 42.52 1xkw s PHE 248 CO 0.00 -0.37 1.05 -0.51 0.70 0.00 0.00 175.22 176.09 1xkw s ASP 249 N 1.36 6.31 0.50 1.36 1.01 -0.36 -1.20 116.67 125.65 1xkw s ASP 249 Ca -0.03 -1.28 0.27 0.00 0.71 0.00 0.00 52.55 52.22 1xkw s ASP 249 Cb -0.14 -2.43 1.27 0.00 1.01 0.00 0.00 42.92 42.64 1xkw s ASP 249 CO -0.03 -1.36 1.98 -0.07 0.21 0.00 0.00 175.17 175.90 1xkw h LEU 250 N 11.25 0.00 -7.91 1.23 3.38 -1.43 -3.46 115.31 118.37 1xkw h LEU 250 Ca -0.14 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.92 1xkw h LEU 250 Cb 1.05 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 1xkw h LEU 250 CO 1.18 0.15 0.36 -0.94 0.09 0.00 0.00 178.44 179.28 1xkw s SER 251 N -6.09 -0.13 0.28 -0.43 1.04 -1.19 -4.92 113.70 102.26 1xkw s SER 251 Ca -0.01 -0.72 0.23 0.00 0.48 0.00 0.00 55.95 55.93 1xkw s SER 251 Cb 0.12 0.67 1.03 0.00 0.10 0.00 0.00 66.02 67.94 1xkw s SER 251 CO 0.59 -1.28 1.70 -2.65 0.98 0.00 0.00 173.24 172.58 1xkw n PRO 252 N -0.52 0.18 0.00 4.02 -0.02 -1.26 -2.37 135.00 135.04 1xkw n PRO 252 Ca -0.06 0.48 0.05 0.00 -2.02 0.00 0.00 63.50 61.96 1xkw n PRO 252 Cb 0.60 -1.90 -0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1xkw n PRO 252 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xkw n ASP 253 N -2.24 1.24 -4.13 2.55 8.00 -1.26 -4.98 116.55 115.72 1xkw n ASP 253 Ca 0.01 -1.12 -0.31 0.00 0.71 0.00 0.00 54.79 54.09 1xkw n ASP 253 Cb 0.18 0.47 -0.17 0.00 -0.02 0.00 0.00 41.12 41.58 1xkw n ASP 253 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1xkw s THR 254 N -1.39 1.82 -0.19 -3.53 2.01 -1.00 -0.84 115.64 112.52 1xkw s THR 254 Ca 0.09 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.25 1xkw s THR 254 Cb 0.08 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.99 1xkw s THR 254 CO 0.26 0.50 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.31 1xkw s LEU 255 N 0.81 2.32 -0.14 4.42 2.96 -0.26 -1.10 118.68 127.68 1xkw s LEU 255 Ca -0.09 -0.64 -0.04 0.00 -0.22 0.00 0.00 54.13 53.15 1xkw s LEU 255 Cb -0.16 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 1xkw s LEU 255 CO -0.00 -0.01 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.78 1xkw s LEU 256 N 1.31 3.39 -0.06 -0.68 2.96 -0.34 -0.92 118.68 124.35 1xkw s LEU 256 Ca 0.05 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 1xkw s LEU 256 Cb -0.14 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.74 1xkw s LEU 256 CO -0.11 0.22 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.07 1xkw s THR 257 N 0.07 1.49 -0.02 3.68 2.01 0.14 -0.16 115.64 122.86 1xkw s THR 257 Ca 0.01 -0.73 -0.00 0.00 0.31 0.00 0.00 61.69 61.28 1xkw s THR 257 Cb -0.13 -1.30 0.02 0.00 0.01 0.00 0.00 72.50 71.10 1xkw s THR 257 CO 0.02 0.43 0.03 -0.69 -0.69 0.00 0.00 174.62 173.72 1xkw s VAL 258 N 0.23 -0.03 0.24 3.82 1.01 -0.02 -0.97 120.40 124.67 1xkw s VAL 258 Ca -0.09 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 1xkw s VAL 258 Cb -0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 1xkw s VAL 258 CO 0.04 0.05 0.43 -0.83 0.00 0.00 0.00 175.10 174.79 1xkw s GLY 259 N 0.59 0.63 0.11 4.51 0.00 -0.21 -0.36 107.32 112.58 1xkw s GLY 259 Ca -0.05 -0.96 -0.18 0.00 0.00 0.00 0.00 44.72 43.53 1xkw s GLY 259 CO -0.02 -0.71 0.45 0.00 0.00 0.00 0.00 173.10 172.82 1xkw s ALA 260 N -4.03 -1.09 -0.06 3.20 0.00 0.10 -1.07 121.76 118.81 1xkw s ALA 260 Ca 0.24 0.17 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 1xkw s ALA 260 Cb 0.00 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.77 1xkw s ALA 260 CO 0.09 -0.61 0.28 -1.14 0.00 0.00 0.00 175.76 174.38 1xkw s GLN 261 N -3.41 0.50 -0.07 0.00 0.74 -0.02 -1.43 119.66 115.97 1xkw s GLN 261 Ca 0.00 0.06 0.01 0.00 0.05 0.00 0.00 55.36 55.49 1xkw s GLN 261 Cb 0.01 0.23 0.02 0.00 1.10 0.00 0.00 33.01 34.36 1xkw s GLN 261 CO -0.09 -0.11 -0.08 -0.47 -0.55 0.00 0.00 175.29 173.98 1xkw s TYR 262 N -0.65 1.24 -0.07 1.67 5.04 -0.18 -1.01 117.35 123.39 1xkw s TYR 262 Ca -0.07 -0.48 -0.00 0.00 -2.44 0.00 0.00 57.07 54.07 1xkw s TYR 262 Cb -0.04 -0.99 0.02 0.00 0.35 0.00 0.00 41.96 41.30 1xkw s TYR 262 CO 0.02 -0.31 -0.04 -1.14 -1.34 0.00 0.00 175.55 172.74 1xkw s GLN 263 N 1.05 0.99 -0.16 4.97 0.74 -0.34 -1.36 119.66 125.55 1xkw s GLN 263 Ca -0.08 -0.09 0.01 0.00 0.05 0.00 0.00 55.36 55.25 1xkw s GLN 263 Cb -0.14 -1.11 0.00 0.00 1.10 0.00 0.00 33.01 32.85 1xkw s GLN 263 CO -0.01 -0.20 -0.17 -1.58 -0.55 0.00 0.00 175.29 172.79 1xkw s HIS 264 N 1.48 2.77 -0.10 1.67 5.65 0.33 -0.76 115.29 126.33 1xkw s HIS 264 Ca -0.02 -1.20 0.02 0.00 0.25 0.00 0.00 55.06 54.12 1xkw s HIS 264 Cb -0.13 -1.89 0.01 0.00 -1.18 0.00 0.00 32.58 29.39 1xkw s HIS 264 CO -0.04 -0.57 -0.17 0.42 -0.65 0.00 0.00 174.74 173.74 1xkw s ILE 265 N 0.94 1.58 -0.08 0.89 1.01 0.44 -0.93 121.20 125.05 1xkw s ILE 265 Ca -0.03 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.93 1xkw s ILE 265 Cb -0.15 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 40.91 1xkw s ILE 265 CO -0.03 0.45 -0.17 -0.62 0.00 0.00 0.00 174.94 174.58 1xkw s ASP 266 N 0.73 2.30 0.02 3.58 -1.08 -0.39 0.63 116.67 122.46 1xkw s ASP 266 Ca -0.12 -0.40 -0.08 0.00 -0.52 0.00 0.00 52.55 51.43 1xkw s ASP 266 Cb -0.16 -1.02 0.00 0.00 -1.46 0.00 0.00 42.92 40.29 1xkw s ASP 266 CO 0.02 0.09 0.16 -0.94 0.52 0.00 0.00 175.17 175.03 1xkw s SER 267 N 0.48 0.04 -0.54 -0.34 1.04 0.30 -0.07 113.70 114.62 1xkw s SER 267 Ca -0.15 -0.28 -0.19 0.00 0.48 0.00 0.00 55.95 55.81 1xkw s SER 267 Cb -0.16 0.24 0.08 0.00 0.10 0.00 0.00 66.02 66.28 1xkw s SER 267 CO 0.06 -0.45 0.63 -0.63 0.98 0.00 0.00 173.24 173.82 1xkw s ILE 268 N -1.91 4.90 0.00 -1.02 1.01 -0.78 -0.86 121.20 122.54 1xkw s ILE 268 Ca -0.10 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.75 1xkw s ILE 268 Cb -0.05 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1xkw s ILE 268 CO -0.01 -0.91 0.00 1.07 0.00 0.00 0.00 174.94 175.09 1xkw n THR 269 N 5.53 0.00 -3.26 2.92 5.66 -1.26 -1.99 114.28 121.87 1xkw n THR 269 Ca -0.09 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.86 1xkw n THR 269 Cb 0.44 -1.56 -0.04 0.00 -1.55 0.00 0.00 70.33 67.62 1xkw n THR 269 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1xkw s ASN 270 N -1.22 -0.46 0.03 1.09 2.47 -1.26 -4.71 114.94 110.88 1xkw s ASN 270 Ca 0.00 -0.95 -0.06 0.00 0.42 0.00 0.00 52.86 52.27 1xkw s ASN 270 Cb 0.00 1.42 -0.29 0.00 -1.45 0.00 0.00 41.25 40.93 1xkw s ASN 270 CO 0.00 -0.23 0.96 0.24 -3.72 0.00 0.00 177.10 174.35 1xkw h MET 271 N 7.19 0.31 0.00 0.43 2.86 -1.96 -3.36 114.93 120.39 1xkw h MET 271 Ca 0.03 -0.52 -0.06 0.00 -2.06 0.00 0.00 59.70 57.09 1xkw h MET 271 Cb 1.13 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.98 1xkw h MET 271 CO 0.15 1.21 -0.29 0.00 1.06 0.00 0.00 176.91 179.04 1xkw h ALA 272 N 0.45 0.94 -0.64 6.32 0.00 -1.87 -3.39 119.26 121.07 1xkw h ALA 272 Ca -0.22 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xkw h ALA 272 Cb 2.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1xkw h ALA 272 CO 0.19 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1xkw n GLY 273 N 0.45 3.07 3.15 0.00 0.00 -1.26 -0.32 105.19 110.28 1xkw n GLY 273 Ca 0.01 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 1xkw n GLY 273 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xkw s VAL 274 N 0.00 1.12 0.79 1.61 -7.23 -0.83 -4.35 120.40 111.50 1xkw s VAL 274 Ca 0.00 -1.06 -0.04 0.00 -1.81 0.00 0.00 61.98 59.07 1xkw s VAL 274 Cb 0.00 -1.03 0.16 0.00 0.56 0.00 0.00 36.38 36.07 1xkw s VAL 274 CO 0.00 -0.03 1.08 -0.81 -0.31 0.00 0.00 175.10 175.02 1xkw n PRO 275 N 1.78 -0.41 -4.29 4.82 -0.04 -1.26 -2.11 135.00 133.49 1xkw n PRO 275 Ca -0.19 -2.53 -0.27 0.00 -0.04 0.00 0.00 63.50 60.47 1xkw n PRO 275 Cb 0.55 -0.84 -0.06 0.00 -0.04 0.00 0.00 33.50 33.11 1xkw n PRO 275 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1xkw n MET 276 N -3.08 0.85 -1.54 0.54 2.81 0.11 -4.72 117.12 112.10 1xkw n MET 276 Ca 0.16 -3.19 -0.30 0.00 -1.81 0.00 0.00 57.70 52.56 1xkw n MET 276 Cb 0.58 1.06 0.09 0.00 -0.71 0.00 0.00 33.22 34.24 1xkw n MET 276 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xkw s ALA 277 N -2.82 2.30 0.40 3.04 0.00 0.46 -1.06 121.76 124.09 1xkw s ALA 277 Ca 0.04 -0.14 0.15 0.00 0.00 0.00 0.00 51.96 52.02 1xkw s ALA 277 Cb 0.00 -3.12 1.02 0.00 0.00 0.00 0.00 23.12 21.02 1xkw s ALA 277 CO 0.03 -1.66 1.86 0.87 0.00 0.00 0.00 175.76 176.86 1xkw h LYS 278 N -1.04 0.46 -0.25 0.00 1.57 -1.78 0.11 116.57 115.65 1xkw h LYS 278 Ca -0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1xkw h LYS 278 Cb 1.26 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1xkw h LYS 278 CO 0.59 0.30 0.00 -0.40 -0.57 0.00 0.00 179.45 179.37 1xkw n ASP 279 N -4.53 1.30 0.00 0.86 5.75 -1.26 -4.87 116.55 113.80 1xkw n ASP 279 Ca 0.19 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1xkw n ASP 279 Cb 0.64 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1xkw n ASP 279 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xkw n GLY 280 N 0.88 0.99 3.82 6.12 0.00 0.38 -4.56 105.19 112.81 1xkw n GLY 280 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1xkw n GLY 280 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xkw s SER 281 N -3.04 6.16 0.15 1.61 1.04 -1.25 -4.54 113.70 113.82 1xkw s SER 281 Ca 0.00 1.73 -0.31 0.00 0.48 0.00 0.00 55.95 57.85 1xkw s SER 281 Cb 0.00 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.51 1xkw s SER 281 CO 0.00 -0.91 1.44 0.21 0.98 0.00 0.00 173.24 174.96 1xkw s ASN 282 N -2.83 6.74 0.20 7.02 2.47 -1.26 -0.40 114.94 126.87 1xkw s ASN 282 Ca 0.62 2.46 0.25 0.00 0.42 0.00 0.00 52.86 56.61 1xkw s ASN 282 Cb -0.14 -2.60 0.52 0.00 -1.45 0.00 0.00 41.25 37.59 1xkw s ASN 282 CO 0.33 -0.70 1.53 -0.07 -3.72 0.00 0.00 177.10 174.47 1xkw h LEU 283 N 6.43 0.00 1.93 3.21 3.38 -1.92 -3.46 115.31 124.89 1xkw h LEU 283 Ca -0.43 -0.09 -0.30 0.00 0.09 0.00 0.00 57.88 57.15 1xkw h LEU 283 Cb 1.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1xkw h LEU 283 CO 0.86 0.04 -0.37 0.61 0.09 0.00 0.00 178.44 179.67 1xkw n GLY 284 N 1.29 0.02 3.76 0.83 0.00 -1.26 -4.97 105.19 104.87 1xkw n GLY 284 Ca 0.04 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 1xkw n GLY 284 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xkw s LEU 285 N -4.19 3.88 0.31 0.99 1.43 -1.26 -4.92 118.68 114.92 1xkw s LEU 285 Ca 0.00 2.60 -0.29 0.00 -1.03 0.00 0.00 54.13 55.41 1xkw s LEU 285 Cb 0.00 -4.29 -0.12 0.00 0.03 0.00 0.00 46.19 41.80 1xkw s LEU 285 CO 0.00 -1.38 1.40 -0.24 0.23 0.00 0.00 176.35 176.35 1xkw n SER 286 N -0.92 3.07 0.33 2.29 2.88 -1.26 -4.87 113.62 115.15 1xkw n SER 286 Ca 0.10 1.18 0.22 0.00 -1.33 0.00 0.00 58.87 59.04 1xkw n SER 286 Cb 0.46 -1.50 1.17 0.00 -0.75 0.00 0.00 64.21 63.58 1xkw n SER 286 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1xkw h ARG 287 N 3.42 0.00 -0.02 -1.46 3.08 -1.95 -1.83 114.38 115.62 1xkw h ARG 287 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1xkw h ARG 287 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1xkw h ARG 287 CO 0.69 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 179.19 1xkw n ASP 288 N -3.17 0.28 -4.71 7.04 5.75 -1.26 -4.35 116.55 116.13 1xkw n ASP 288 Ca -0.03 -1.40 -0.42 0.00 -0.01 0.00 0.00 54.79 52.93 1xkw n ASP 288 Cb 0.08 -0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.13 1xkw n ASP 288 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1xkw s THR 289 N -1.97 2.30 -0.12 2.12 2.01 -0.69 -1.41 115.64 117.88 1xkw s THR 289 Ca 0.32 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.47 1xkw s THR 289 Cb 0.15 -3.09 0.02 0.00 0.01 0.00 0.00 72.50 69.59 1xkw s THR 289 CO 0.25 0.01 -0.13 -0.47 -0.69 0.00 0.00 174.62 173.58 1xkw s TYR 290 N 1.50 1.93 -0.21 4.92 5.04 -1.26 -4.65 117.35 124.62 1xkw s TYR 290 Ca 0.75 -0.99 0.14 0.00 -2.44 0.00 0.00 57.07 54.53 1xkw s TYR 290 Cb -0.47 -1.44 0.45 0.00 0.35 0.00 0.00 41.96 40.85 1xkw s TYR 290 CO 0.33 -0.55 1.34 1.28 -1.34 0.00 0.00 175.55 176.60 1xkw n LEU 291 N 4.54 3.40 0.00 6.97 4.77 -1.26 -4.77 117.00 130.65 1xkw n LEU 291 Ca -0.17 -3.42 0.00 0.00 -0.03 0.00 0.00 56.01 52.39 1xkw n LEU 291 Cb 0.51 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1xkw n LEU 291 CO 0.22 0.98 0.00 0.47 -1.33 0.00 0.00 177.39 177.73 1xkw n ASP 292 N -1.03 0.71 -4.60 -1.43 9.92 -1.26 -1.44 116.55 117.41 1xkw n ASP 292 Ca 0.23 -0.47 -0.24 0.00 -0.53 0.00 0.00 54.79 53.79 1xkw n ASP 292 Cb 0.84 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 41.24 1xkw n ASP 292 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1xkw s VAL 293 N 1.01 2.90 0.28 2.53 -7.23 -0.92 -4.48 120.40 114.48 1xkw s VAL 293 Ca 0.00 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 1xkw s VAL 293 Cb 0.00 -2.71 0.30 0.00 0.56 0.00 0.00 36.38 34.53 1xkw s VAL 293 CO 0.00 -0.31 1.65 0.44 -0.31 0.00 0.00 175.10 176.57 1xkw h ASP 294 N 1.93 -0.04 -0.22 4.85 3.32 -1.31 -1.95 116.42 122.99 1xkw h ASP 294 Ca -0.43 0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1xkw h ASP 294 Cb 1.25 0.27 0.00 0.00 0.22 0.00 0.00 39.33 41.07 1xkw h ASP 294 CO 0.63 -0.14 0.00 -2.67 -1.72 0.00 0.00 179.24 175.34 1xkw n TRP 295 N -5.23 0.31 -1.61 4.55 4.27 -1.26 -4.90 117.44 113.56 1xkw n TRP 295 Ca 0.20 -0.15 -0.40 0.00 -3.89 0.00 0.00 57.50 53.25 1xkw n TRP 295 Cb 0.63 -0.01 0.02 0.00 -1.36 0.00 0.00 31.31 30.60 1xkw n TRP 295 CO 0.00 0.00 0.00 -0.25 -2.29 0.00 0.00 177.69 175.15 1xkw n ASP 296 N 0.15 1.15 -3.64 -0.67 9.92 -0.74 -4.82 116.55 117.91 1xkw n ASP 296 Ca 0.07 0.96 -0.06 0.00 -0.53 0.00 0.00 54.79 55.23 1xkw n ASP 296 Cb 0.20 -1.37 -0.07 0.00 -0.64 0.00 0.00 41.12 39.24 1xkw n ASP 296 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1xkw s ARG 297 N -2.25 0.67 -0.11 -1.24 6.06 0.19 -4.34 118.95 117.92 1xkw s ARG 297 Ca 0.67 1.18 -0.03 0.00 -2.50 0.00 0.00 55.73 55.05 1xkw s ARG 297 Cb -0.50 0.16 0.04 0.00 0.06 0.00 0.00 34.95 34.71 1xkw s ARG 297 CO 0.54 -0.14 0.05 0.12 -2.50 0.00 0.00 175.30 173.37 1xkw s PHE 298 N 1.65 0.42 -0.02 5.12 2.19 -0.04 -1.00 117.98 126.31 1xkw s PHE 298 Ca -0.10 -0.22 0.05 0.00 0.33 0.00 0.00 56.93 57.00 1xkw s PHE 298 Cb -0.05 -0.72 -0.01 0.00 -1.31 0.00 0.00 43.02 40.93 1xkw s PHE 298 CO -0.19 -0.40 -0.17 -1.59 1.83 0.00 0.00 175.22 174.70 1xkw s LYS 299 N 2.06 1.44 -0.04 10.12 -2.85 -0.71 -0.54 119.74 129.23 1xkw s LYS 299 Ca 0.03 -0.62 0.04 0.00 -1.00 0.00 0.00 55.97 54.43 1xkw s LYS 299 Cb -0.14 -1.38 -0.00 0.00 -2.06 0.00 0.00 37.83 34.25 1xkw s LYS 299 CO -0.06 0.36 -0.16 -1.58 0.10 0.00 0.00 175.35 174.01 1xkw s TRP 300 N -0.36 1.60 -0.12 1.78 0.51 0.21 -1.76 118.94 120.79 1xkw s TRP 300 Ca 0.06 -0.42 0.02 0.00 -2.12 0.00 0.00 56.10 53.64 1xkw s TRP 300 Cb -0.07 -1.07 0.01 0.00 -0.81 0.00 0.00 33.47 31.53 1xkw s TRP 300 CO -0.00 -0.13 -0.19 -0.51 -0.51 0.00 0.00 176.95 175.60 1xkw s ASP 301 N -0.03 2.83 -0.08 2.95 1.01 0.66 -0.42 116.67 123.59 1xkw s ASP 301 Ca -0.02 -0.53 0.03 0.00 0.71 0.00 0.00 52.55 52.75 1xkw s ASP 301 Cb -0.10 -1.29 0.00 0.00 1.01 0.00 0.00 42.92 42.54 1xkw s ASP 301 CO 0.01 0.06 -0.19 -0.89 0.21 0.00 0.00 175.17 174.37 1xkw s THR 302 N 0.85 1.65 -0.11 -1.27 2.01 0.06 -0.96 115.64 117.87 1xkw s THR 302 Ca -0.08 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.16 1xkw s THR 302 Cb -0.15 -1.44 0.01 0.00 0.01 0.00 0.00 72.50 70.92 1xkw s THR 302 CO -0.01 0.47 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.90 1xkw s TYR 303 N 0.41 2.17 0.05 4.92 1.51 0.68 -1.20 117.35 125.88 1xkw s TYR 303 Ca -0.15 -0.98 0.04 0.00 -1.01 0.00 0.00 57.07 54.97 1xkw s TYR 303 Cb -0.16 -1.51 -0.02 0.00 -0.11 0.00 0.00 41.96 40.15 1xkw s TYR 303 CO 0.06 -0.46 -0.11 1.03 -1.11 0.00 0.00 175.55 174.96 1xkw s ARG 304 N 0.75 0.69 -0.02 -0.62 0.52 -0.18 -0.58 118.95 119.52 1xkw s ARG 304 Ca -0.11 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.32 1xkw s ARG 304 Cb -0.16 -0.61 0.02 0.00 0.52 0.00 0.00 34.95 34.72 1xkw s ARG 304 CO 0.02 0.13 0.04 0.00 0.02 0.00 0.00 175.30 175.51 1xkw s ALA 305 N -1.13 -0.02 0.13 2.13 0.00 -0.75 -0.84 121.76 121.29 1xkw s ALA 305 Ca -0.04 0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.02 1xkw s ALA 305 Cb -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1xkw s ALA 305 CO 0.01 -0.06 0.28 -0.59 0.00 0.00 0.00 175.76 175.40 1xkw s PHE 306 N 0.51 0.19 0.12 0.00 -0.71 -0.23 -0.94 117.98 116.92 1xkw s PHE 306 Ca -0.04 -0.57 -0.26 0.00 -1.04 0.00 0.00 56.93 55.02 1xkw s PHE 306 Cb -0.06 0.01 0.07 0.00 -1.21 0.00 0.00 43.02 41.84 1xkw s PHE 306 CO -0.02 -0.66 0.86 0.20 -1.34 0.00 0.00 175.22 174.26 1xkw s GLY 307 N -2.90 -0.34 0.03 1.99 0.00 -0.56 -1.05 107.32 104.49 1xkw s GLY 307 Ca 0.10 0.42 -0.25 0.00 0.00 0.00 0.00 44.72 44.99 1xkw s GLY 307 CO -0.06 0.12 0.57 -1.35 0.00 0.00 0.00 173.10 172.38 1xkw s SER 308 N -2.76 -0.51 -0.08 1.64 1.04 -0.15 -0.98 113.70 111.90 1xkw s SER 308 Ca 0.08 0.33 -0.01 0.00 0.48 0.00 0.00 55.95 56.83 1xkw s SER 308 Cb -0.02 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.64 1xkw s SER 308 CO -0.03 -0.70 -0.02 -0.22 0.98 0.00 0.00 173.24 173.25 1xkw s LEU 309 N -1.77 0.79 -0.05 2.42 2.96 -0.34 -0.68 118.68 122.00 1xkw s LEU 309 Ca -0.07 -0.14 0.06 0.00 -0.22 0.00 0.00 54.13 53.76 1xkw s LEU 309 Cb -0.01 -0.55 -0.01 0.00 0.50 0.00 0.00 46.19 46.12 1xkw s LEU 309 CO 0.01 -0.17 -0.23 -0.70 -1.32 0.00 0.00 176.35 173.94 1xkw s GLU 310 N 1.84 2.49 -0.05 1.98 2.12 -0.10 -1.36 118.70 125.62 1xkw s GLU 310 Ca 0.04 -0.88 0.01 0.00 0.36 0.00 0.00 54.97 54.51 1xkw s GLU 310 Cb -0.12 -2.19 0.02 0.00 0.26 0.00 0.00 34.13 32.10 1xkw s GLU 310 CO -0.06 0.44 -0.06 -1.14 -0.54 0.00 0.00 175.26 173.90 1xkw s GLN 311 N -0.30 1.04 0.09 4.30 2.00 0.65 -1.10 119.66 126.34 1xkw s GLN 311 Ca 0.01 -0.17 -0.30 0.00 -2.00 0.00 0.00 55.36 52.89 1xkw s GLN 311 Cb -0.13 -0.99 -0.06 0.00 0.80 0.00 0.00 33.01 32.63 1xkw s GLN 311 CO 0.02 -0.07 1.16 -0.65 -0.50 0.00 0.00 175.29 175.26 1xkw s GLN 312 N 0.91 4.48 0.00 1.67 -1.52 -0.02 -0.96 119.66 124.22 1xkw s GLN 312 Ca -0.11 1.74 0.08 0.00 -1.95 0.00 0.00 55.36 55.12 1xkw s GLN 312 Cb -0.15 -3.33 0.19 0.00 -0.22 0.00 0.00 33.01 29.50 1xkw s GLN 312 CO 0.01 -0.16 1.08 1.28 -0.25 0.00 0.00 175.29 177.24 1xkw n LEU 313 N 3.50 2.44 0.00 2.90 4.77 0.94 -4.94 117.00 126.61 1xkw n LEU 313 Ca 0.07 -1.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.32 1xkw n LEU 313 Cb 0.47 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1xkw n LEU 313 CO 0.55 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1xkw n GLY 314 N 0.33 -2.61 2.45 -0.72 0.00 -1.23 -4.78 105.19 98.62 1xkw n GLY 314 Ca 0.08 -1.42 -0.00 0.00 0.00 0.00 0.00 46.02 44.67 1xkw n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xkw n GLY 315 N -1.86 0.31 1.50 -0.02 0.00 -1.26 -1.63 105.19 102.22 1xkw n GLY 315 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1xkw n GLY 315 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xkw n GLY 316 N -1.21 0.70 3.87 -0.02 0.00 -1.26 -4.48 105.19 102.79 1xkw n GLY 316 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1xkw n GLY 316 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xkw s TRP 317 N -2.31 3.46 0.02 1.61 0.52 -0.65 -4.32 118.94 117.27 1xkw s TRP 317 Ca 0.00 0.88 0.01 0.00 0.02 0.00 0.00 56.10 57.01 1xkw s TRP 317 Cb 0.00 -2.26 -0.02 0.00 -1.15 0.00 0.00 33.47 30.05 1xkw s TRP 317 CO 0.00 0.31 -0.05 0.15 0.02 0.00 0.00 176.95 177.37 1xkw s LYS 318 N -2.66 0.41 0.03 4.98 1.02 0.13 -0.04 119.74 123.61 1xkw s LYS 318 Ca 0.45 -0.53 0.09 0.00 0.02 0.00 0.00 55.97 56.00 1xkw s LYS 318 Cb -0.12 -0.20 -0.03 0.00 -0.52 0.00 0.00 37.83 36.96 1xkw s LYS 318 CO 0.21 0.04 -0.25 0.20 -0.92 0.00 0.00 175.35 174.62 1xkw s GLY 319 N -1.09 1.32 -0.11 -3.33 0.00 -0.13 -1.51 107.32 102.46 1xkw s GLY 319 Ca -0.08 -1.19 -0.07 0.00 0.00 0.00 0.00 44.72 43.38 1xkw s GLY 319 CO -0.00 -1.07 0.28 1.25 0.00 0.00 0.00 173.10 173.56 1xkw s LYS 320 N -1.07 0.27 -0.10 2.90 2.20 -0.21 -0.25 119.74 123.48 1xkw s LYS 320 Ca 0.11 0.52 0.03 0.00 -0.36 0.00 0.00 55.97 56.26 1xkw s LYS 320 Cb -0.10 -0.01 0.01 0.00 -1.51 0.00 0.00 37.83 36.22 1xkw s LYS 320 CO 0.01 -0.12 -0.19 0.54 -0.36 0.00 0.00 175.35 175.23 1xkw s VAL 321 N 0.89 1.74 0.00 4.02 0.11 -0.46 -1.03 120.40 125.67 1xkw s VAL 321 Ca -0.06 -0.82 0.07 0.00 -2.93 0.00 0.00 61.98 58.24 1xkw s VAL 321 Cb -0.07 -1.54 -0.02 0.00 -1.53 0.00 0.00 36.38 33.22 1xkw s VAL 321 CO -0.06 0.49 -0.23 -0.44 -3.33 0.00 0.00 175.10 171.53 1xkw s SER 322 N 0.60 2.67 0.03 3.54 0.01 0.16 -1.20 113.70 119.52 1xkw s SER 322 Ca -0.14 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 56.69 1xkw s SER 322 Cb -0.17 -0.28 -0.02 0.00 0.21 0.00 0.00 66.02 65.77 1xkw s SER 322 CO 0.04 0.25 -0.06 0.00 0.41 0.00 0.00 173.24 173.88 1xkw s ALA 323 N -0.61 0.45 -0.05 1.44 0.00 -0.15 -0.97 121.76 121.87 1xkw s ALA 323 Ca 0.09 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.43 1xkw s ALA 323 Cb -0.09 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1xkw s ALA 323 CO 0.00 -0.01 0.12 -1.21 0.00 0.00 0.00 175.76 174.66 1xkw s GLU 324 N -1.15 0.14 -0.05 0.00 0.41 -0.26 -1.50 118.70 116.30 1xkw s GLU 324 Ca -0.08 0.17 0.02 0.00 -0.41 0.00 0.00 54.97 54.68 1xkw s GLU 324 Cb -0.08 0.06 0.01 0.00 -1.78 0.00 0.00 34.13 32.34 1xkw s GLU 324 CO 0.00 -0.02 -0.11 -0.47 -0.49 0.00 0.00 175.26 174.17 1xkw s TYR 325 N 0.10 1.31 -0.03 1.61 5.04 -0.11 -1.31 117.35 123.95 1xkw s TYR 325 Ca -0.00 -0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.19 1xkw s TYR 325 Cb -0.01 -0.96 0.03 0.00 0.35 0.00 0.00 41.96 41.37 1xkw s TYR 325 CO -0.00 -0.22 0.01 -1.14 -1.34 0.00 0.00 175.55 172.86 1xkw s GLN 326 N 0.52 0.23 -0.12 4.97 0.74 -0.18 -1.80 119.66 124.01 1xkw s GLN 326 Ca -0.11 0.12 0.03 0.00 0.05 0.00 0.00 55.36 55.44 1xkw s GLN 326 Cb -0.14 -0.46 -0.00 0.00 1.10 0.00 0.00 33.01 33.51 1xkw s GLN 326 CO 0.03 -0.16 -0.21 -2.00 -0.55 0.00 0.00 175.29 172.40 1xkw s GLU 327 N 1.15 3.11 -0.14 1.67 2.12 0.25 -0.57 118.70 126.29 1xkw s GLU 327 Ca -0.08 -0.83 -0.02 0.00 0.36 0.00 0.00 54.97 54.40 1xkw s GLU 327 Cb -0.13 -2.42 0.04 0.00 0.26 0.00 0.00 34.13 31.88 1xkw s GLU 327 CO -0.02 0.12 -0.00 0.00 -0.54 0.00 0.00 175.26 174.81 1xkw s ALA 328 N 0.52 1.02 0.31 6.30 0.00 -0.11 -0.23 121.76 129.56 1xkw s ALA 328 Ca -0.13 -0.52 0.11 0.00 0.00 0.00 0.00 51.96 51.41 1xkw s ALA 328 Cb -0.17 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 21.89 1xkw s ALA 328 CO 0.05 -0.81 -0.12 -0.51 0.00 0.00 0.00 175.76 174.37 1xkw s ASP 329 N 1.84 3.79 0.07 0.00 1.01 -0.13 -1.49 116.67 121.77 1xkw s ASP 329 Ca 0.02 -1.05 -0.24 0.00 0.71 0.00 0.00 52.55 51.98 1xkw s ASP 329 Cb -0.15 -0.39 0.06 0.00 1.01 0.00 0.00 42.92 43.45 1xkw s ASP 329 CO -0.07 -0.08 0.58 -0.94 0.21 0.00 0.00 175.17 174.87 1xkw s SER 330 N -3.58 -0.53 -0.02 0.27 1.04 -0.87 -0.24 113.70 109.77 1xkw s SER 330 Ca 0.32 0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.97 1xkw s SER 330 Cb -0.02 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1xkw s SER 330 CO 0.16 -0.80 -0.05 -0.13 0.98 0.00 0.00 173.24 173.41 1xkw s ARG 331 N -2.73 0.53 -0.02 4.02 0.52 -0.72 -0.87 118.95 119.68 1xkw s ARG 331 Ca -0.04 -0.15 0.01 0.00 -0.52 0.00 0.00 55.73 55.03 1xkw s ARG 331 Cb -0.00 -0.54 0.01 0.00 0.52 0.00 0.00 34.95 34.94 1xkw s ARG 331 CO -0.04 0.05 -0.04 -1.17 0.02 0.00 0.00 175.30 174.13 1xkw s LEU 332 N 0.22 1.61 -0.01 2.53 2.96 0.07 -1.73 118.68 124.32 1xkw s LEU 332 Ca -0.02 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 1xkw s LEU 332 Cb -0.06 -0.30 0.02 0.00 0.50 0.00 0.00 46.19 46.35 1xkw s LEU 332 CO -0.00 -0.01 0.01 0.00 -1.32 0.00 0.00 176.35 175.03 1xkw s ARG 333 N 0.45 0.03 0.26 1.98 1.70 -0.17 -0.23 118.95 122.96 1xkw s ARG 333 Ca -0.05 0.10 -0.22 0.00 -0.47 0.00 0.00 55.73 55.10 1xkw s ARG 333 Cb -0.08 -0.20 0.03 0.00 -0.57 0.00 0.00 34.95 34.12 1xkw s ARG 333 CO -0.00 -0.10 0.74 1.52 -1.08 0.00 0.00 175.30 176.37 1xkw s TYR 334 N 0.69 -0.20 -0.26 5.89 1.13 -1.05 -0.63 117.35 122.92 1xkw s TYR 334 Ca -0.06 -0.23 -0.13 0.00 -1.41 0.00 0.00 57.07 55.24 1xkw s TYR 334 Cb -0.09 0.69 0.08 0.00 -1.10 0.00 0.00 41.96 41.55 1xkw s TYR 334 CO -0.02 -1.17 0.61 0.00 -2.51 0.00 0.00 175.55 172.46 1xkw s ALA 335 N -3.84 -1.70 0.25 9.51 0.00 -1.26 -2.66 121.76 122.07 1xkw s ALA 335 Ca 0.11 2.18 -0.07 0.00 0.00 0.00 0.00 51.96 54.18 1xkw s ALA 335 Cb -0.05 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.68 1xkw s ALA 335 CO 0.05 -0.46 0.38 0.20 0.00 0.00 0.00 175.76 175.93 1xkw s GLY 336 N 1.84 0.99 -0.08 0.00 0.00 0.42 -2.18 107.32 108.32 1xkw s GLY 336 Ca -0.09 -1.24 -0.30 0.00 0.00 0.00 0.00 44.72 43.09 1xkw s GLY 336 CO -0.18 -0.92 1.09 -0.45 0.00 0.00 0.00 173.10 172.64 1xkw s SER 337 N -3.10 7.16 -0.09 1.64 0.15 -0.52 -0.93 113.70 118.01 1xkw s SER 337 Ca 0.29 1.67 0.03 0.00 0.70 0.00 0.00 55.95 58.64 1xkw s SER 337 Cb 0.02 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.77 1xkw s SER 337 CO 0.12 -0.50 -0.19 0.12 1.20 0.00 0.00 173.24 173.99 1xkw s PHE 338 N 2.04 2.12 0.00 3.44 2.19 -0.62 -4.76 117.98 122.39 1xkw s PHE 338 Ca 0.52 -0.86 0.00 0.00 0.33 0.00 0.00 56.93 56.92 1xkw s PHE 338 Cb -0.21 -1.46 0.00 0.00 -1.31 0.00 0.00 43.02 40.04 1xkw s PHE 338 CO 0.20 -0.37 0.00 0.41 1.83 0.00 0.00 175.22 177.29 1xkw n GLY 339 N 3.68 3.85 3.71 13.12 0.00 -0.02 -0.91 105.19 128.61 1xkw n GLY 339 Ca -0.20 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 1xkw n GLY 339 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkw s ALA 340 N 0.00 1.99 0.07 4.61 0.00 -1.25 -4.00 121.76 123.18 1xkw s ALA 340 Ca 0.00 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.90 1xkw s ALA 340 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 1xkw s ALA 340 CO 0.00 -2.09 0.04 0.42 0.00 0.00 0.00 175.76 174.13 1xkw s ILE 341 N -1.99 4.32 -0.45 0.00 -1.09 -0.22 -4.46 121.20 117.31 1xkw s ILE 341 Ca 0.75 -0.79 -0.23 0.00 -2.23 0.00 0.00 60.65 58.15 1xkw s ILE 341 Cb -0.30 -3.05 0.03 0.00 -1.58 0.00 0.00 42.46 37.56 1xkw s ILE 341 CO 0.48 0.17 0.77 -0.62 -1.23 0.00 0.00 174.94 174.51 1xkw s ASP 342 N -2.21 6.39 0.31 3.58 2.15 -0.61 -2.49 116.67 123.80 1xkw s ASP 342 Ca 0.26 -0.17 0.08 0.00 0.43 0.00 0.00 52.55 53.15 1xkw s ASP 342 Cb -0.12 -2.38 0.80 0.00 -0.30 0.00 0.00 42.92 40.92 1xkw s ASP 342 CO 0.19 -0.91 1.77 -0.65 -0.17 0.00 0.00 175.17 175.40 1xkw h PRO 343 N 8.98 0.68 0.00 4.34 0.11 -1.96 0.44 132.00 144.59 1xkw h PRO 343 Ca -0.25 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 1xkw h PRO 343 Cb 1.09 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1xkw h PRO 343 CO 0.96 0.45 -0.15 1.96 -0.21 0.00 0.00 178.00 181.01 1xkw h GLN 344 N 0.70 0.00 0.00 1.05 1.08 -1.98 -3.36 115.11 112.61 1xkw h GLN 344 Ca 0.59 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.78 1xkw h GLN 344 Cb 1.00 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.43 1xkw h GLN 344 CO -0.39 0.15 -1.03 0.25 -0.95 0.00 0.00 178.83 176.86 1xkw n THR 345 N -3.77 0.03 -0.39 -0.54 -2.24 -0.59 -5.02 114.28 101.76 1xkw n THR 345 Ca -0.02 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1xkw n THR 345 Cb 0.26 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 1xkw n THR 345 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xkw n GLY 346 N 3.14 0.79 3.91 3.38 0.00 0.15 -4.88 105.19 111.67 1xkw n GLY 346 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 1xkw n GLY 346 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xkw s ASP 347 N -2.99 5.91 0.00 1.61 1.01 -1.26 -1.40 116.67 119.57 1xkw s ASP 347 Ca 0.00 0.87 0.00 0.00 0.71 0.00 0.00 52.55 54.13 1xkw s ASP 347 Cb 0.00 -2.00 0.00 0.00 1.01 0.00 0.00 42.92 41.93 1xkw s ASP 347 CO 0.00 -0.86 0.00 0.61 0.21 0.00 0.00 175.17 175.13 1xkw n GLY 348 N -2.48 1.27 3.87 0.21 0.00 -1.25 -1.57 105.19 105.25 1xkw n GLY 348 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1xkw n GLY 348 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xkw s GLY 349 N -0.43 1.89 -0.06 -0.02 0.00 -0.86 -4.29 107.32 103.56 1xkw s GLY 349 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 44.72 44.52 1xkw s GLY 349 CO 0.00 0.03 0.11 1.62 0.00 0.00 0.00 173.10 174.86 1xkw s GLN 350 N -4.05 0.01 0.20 2.90 2.00 -0.09 0.41 119.66 121.04 1xkw s GLN 350 Ca 0.52 0.40 -0.32 0.00 -2.00 0.00 0.00 55.36 53.96 1xkw s GLN 350 Cb -0.10 -0.29 -0.12 0.00 0.80 0.00 0.00 33.01 33.30 1xkw s GLN 350 CO 0.34 -0.25 1.71 -1.17 -0.50 0.00 0.00 175.29 175.42 1xkw s LEU 351 N 1.71 4.37 0.01 3.68 2.96 -0.39 -1.59 118.68 129.44 1xkw s LEU 351 Ca -0.02 2.84 -0.13 0.00 -0.22 0.00 0.00 54.13 56.60 1xkw s LEU 351 Cb -0.12 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 42.99 1xkw s LEU 351 CO -0.05 -0.96 0.28 0.00 -1.32 0.00 0.00 176.35 174.30 1xkw s MET 352 N 1.18 0.68 0.00 1.98 0.23 -0.11 -4.75 119.30 118.52 1xkw s MET 352 Ca 0.74 -0.33 0.00 0.00 -1.03 0.00 0.00 55.69 55.07 1xkw s MET 352 Cb -0.49 0.30 0.00 0.00 -1.53 0.00 0.00 34.83 33.11 1xkw s MET 352 CO 0.32 -0.20 0.00 0.41 -2.03 0.00 0.00 175.02 173.52 1xkw n GLY 353 N 1.07 -1.16 1.82 3.16 0.00 -1.26 -0.44 105.19 108.38 1xkw n GLY 353 Ca -0.21 -1.01 -0.02 0.00 0.00 0.00 0.00 46.02 44.78 1xkw n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkw n ALA 354 N 0.00 -1.20 -2.70 4.61 0.00 -1.09 -4.62 120.51 115.51 1xkw n ALA 354 Ca 0.00 -0.50 -0.18 0.00 0.00 0.00 0.00 53.44 52.75 1xkw n ALA 354 Cb 0.00 0.31 -0.12 0.00 0.00 0.00 0.00 19.45 19.63 1xkw n ALA 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xkw s ALA 355 N -1.49 1.15 0.11 0.00 0.00 -0.57 -2.52 121.76 118.43 1xkw s ALA 355 Ca 0.10 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 51.01 1xkw s ALA 355 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1xkw s ALA 355 CO 0.03 0.17 0.21 0.71 0.00 0.00 0.00 175.76 176.88 1xkw s TYR 356 N -1.22 0.25 -0.02 0.00 1.51 0.68 -0.99 117.35 117.57 1xkw s TYR 356 Ca -0.02 -0.66 0.00 0.00 -1.01 0.00 0.00 57.07 55.38 1xkw s TYR 356 Cb -0.10 -0.07 0.03 0.00 -0.11 0.00 0.00 41.96 41.71 1xkw s TYR 356 CO 0.02 -0.60 0.01 0.15 -1.11 0.00 0.00 175.55 174.03 1xkw s LYS 357 N -3.90 0.12 0.02 -0.62 1.02 -0.08 -0.75 119.74 115.55 1xkw s LYS 357 Ca 0.09 0.12 0.08 0.00 0.02 0.00 0.00 55.97 56.28 1xkw s LYS 357 Cb 0.04 -0.34 -0.03 0.00 -0.52 0.00 0.00 37.83 36.99 1xkw s LYS 357 CO -0.07 -0.14 -0.23 -0.06 -0.92 0.00 0.00 175.35 173.93 1xkw s PHE 358 N 0.95 2.41 0.02 3.18 0.08 -0.05 -0.35 117.98 124.22 1xkw s PHE 358 Ca -0.09 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 56.61 1xkw s PHE 358 Cb -0.12 -1.46 -0.01 0.00 -0.57 0.00 0.00 43.02 40.86 1xkw s PHE 358 CO -0.02 0.11 -0.05 0.15 -0.10 0.00 0.00 175.22 175.31 1xkw s LYS 359 N -1.06 0.40 -0.10 0.44 -0.14 -0.60 -2.04 119.74 116.63 1xkw s LYS 359 Ca 0.12 -0.45 -0.22 0.00 -1.36 0.00 0.00 55.97 54.06 1xkw s LYS 359 Cb -0.10 -0.24 0.05 0.00 -1.68 0.00 0.00 37.83 35.86 1xkw s LYS 359 CO 0.02 0.05 0.52 -1.54 -0.76 0.00 0.00 175.35 173.64 1xkw s SER 360 N -0.88 -0.49 -0.02 2.83 1.04 -0.55 -1.58 113.70 114.04 1xkw s SER 360 Ca -0.06 0.68 0.01 0.00 0.48 0.00 0.00 55.95 57.06 1xkw s SER 360 Cb -0.06 0.69 0.01 0.00 0.10 0.00 0.00 66.02 66.76 1xkw s SER 360 CO -0.00 -0.41 -0.03 -0.63 0.98 0.00 0.00 173.24 173.15 1xkw s ILE 361 N -0.68 0.37 -0.04 -1.02 -1.09 -0.59 -0.93 121.20 117.22 1xkw s ILE 361 Ca -0.08 -0.10 0.02 0.00 -2.23 0.00 0.00 60.65 58.26 1xkw s ILE 361 Cb -0.03 -0.38 0.01 0.00 -1.58 0.00 0.00 42.46 40.48 1xkw s ILE 361 CO 0.05 0.15 -0.08 -1.58 -1.23 0.00 0.00 174.94 172.25 1xkw s GLN 362 N 0.50 1.01 -0.14 2.79 2.00 0.27 -0.79 119.66 125.29 1xkw s GLN 362 Ca -0.06 -0.25 0.00 0.00 -2.00 0.00 0.00 55.36 53.06 1xkw s GLN 362 Cb -0.09 -0.93 0.02 0.00 0.80 0.00 0.00 33.01 32.81 1xkw s GLN 362 CO -0.00 0.03 -0.13 1.03 -0.50 0.00 0.00 175.29 175.72 1xkw s ARG 363 N 0.49 2.13 0.03 1.67 0.52 0.04 -1.01 118.95 122.81 1xkw s ARG 363 Ca -0.08 -0.50 0.05 0.00 -0.52 0.00 0.00 55.73 54.68 1xkw s ARG 363 Cb -0.11 -2.01 -0.02 0.00 0.52 0.00 0.00 34.95 33.33 1xkw s ARG 363 CO 0.01 -0.25 -0.14 -1.12 0.02 0.00 0.00 175.30 173.82 1xkw s SER 364 N 1.53 1.62 -0.07 0.23 0.01 -0.43 -0.87 113.70 115.72 1xkw s SER 364 Ca 0.05 -0.40 -0.04 0.00 1.31 0.00 0.00 55.95 56.87 1xkw s SER 364 Cb -0.13 -0.12 0.03 0.00 0.21 0.00 0.00 66.02 66.01 1xkw s SER 364 CO -0.10 0.07 0.16 -0.22 0.41 0.00 0.00 173.24 173.56 1xkw s LEU 365 N -0.91 1.01 0.02 2.44 2.96 0.64 -1.10 118.68 123.74 1xkw s LEU 365 Ca 0.02 0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.28 1xkw s LEU 365 Cb -0.07 0.48 -0.01 0.00 0.50 0.00 0.00 46.19 47.09 1xkw s LEU 365 CO 0.01 -0.11 -0.07 -1.81 -1.32 0.00 0.00 176.35 173.05 1xkw s ASP 366 N 0.67 0.76 -0.10 3.68 1.11 -0.14 -0.51 116.67 122.13 1xkw s ASP 366 Ca -0.05 -0.33 -0.08 0.00 0.18 0.00 0.00 52.55 52.27 1xkw s ASP 366 Cb -0.06 -0.02 0.03 0.00 1.07 0.00 0.00 42.92 43.94 1xkw s ASP 366 CO -0.03 -0.07 0.27 0.00 1.18 0.00 0.00 175.17 176.52 1xkw s ALA 367 N -0.76 -0.66 0.16 5.23 0.00 -0.71 0.38 121.76 125.40 1xkw s ALA 367 Ca -0.04 0.84 -0.14 0.00 0.00 0.00 0.00 51.96 52.62 1xkw s ALA 367 Cb -0.06 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.58 1xkw s ALA 367 CO 0.00 -0.15 0.41 0.54 0.00 0.00 0.00 175.76 176.56 1xkw s ASN 368 N 0.42 -0.15 -0.00 0.00 4.22 -0.20 -0.95 114.94 118.28 1xkw s ASN 368 Ca -0.02 -0.55 0.04 0.00 -2.14 0.00 0.00 52.86 50.18 1xkw s ASN 368 Cb -0.04 0.50 -0.01 0.00 1.28 0.00 0.00 41.25 42.98 1xkw s ASN 368 CO -0.02 -0.94 -0.12 -0.76 -2.04 0.00 0.00 177.10 173.22 1xkw s LEU 369 N -2.88 2.05 0.10 3.54 1.43 -0.04 -1.04 118.68 121.83 1xkw s LEU 369 Ca 0.09 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 1xkw s LEU 369 Cb 0.01 -0.61 0.03 0.00 0.03 0.00 0.00 46.19 45.66 1xkw s LEU 369 CO -0.05 0.13 0.38 0.54 0.23 0.00 0.00 176.35 177.57 1xkw s ASN 370 N -0.42 -0.20 0.00 2.29 4.22 -0.57 -1.57 114.94 118.69 1xkw s ASN 370 Ca 0.04 -0.26 0.00 0.00 -2.14 0.00 0.00 52.86 50.50 1xkw s ASN 370 Cb -0.05 0.44 0.00 0.00 1.28 0.00 0.00 41.25 42.92 1xkw s ASN 370 CO -0.00 -0.78 0.00 0.61 -2.04 0.00 0.00 177.10 174.89 1xkw n GLY 371 N 0.02 1.00 3.88 0.45 0.00 -0.96 -0.69 105.19 108.89 1xkw n GLY 371 Ca -0.17 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 1xkw n GLY 371 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xkw s PRO 372 N -2.00 3.56 -0.08 1.61 0.04 -1.26 -1.78 135.00 135.09 1xkw s PRO 372 Ca 0.00 0.59 -0.03 0.00 0.04 0.00 0.00 61.00 61.60 1xkw s PRO 372 Cb 0.00 -2.16 0.05 0.00 0.04 0.00 0.00 34.50 32.43 1xkw s PRO 372 CO 0.00 -0.49 0.13 0.08 0.04 0.00 0.00 177.00 176.76 1xkw s VAL 373 N -3.07 -0.21 -0.25 -0.36 1.01 0.12 -4.91 120.40 112.72 1xkw s VAL 373 Ca 0.53 0.33 -0.23 0.00 0.00 0.00 0.00 61.98 62.61 1xkw s VAL 373 Cb -0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 1xkw s VAL 373 CO 0.52 0.12 0.75 -0.60 0.00 0.00 0.00 175.10 175.88 1xkw s ARG 374 N 2.25 4.15 -0.19 2.72 3.52 -1.26 -0.80 118.95 129.33 1xkw s ARG 374 Ca 0.04 0.78 -0.13 0.00 -0.13 0.00 0.00 55.73 56.28 1xkw s ARG 374 Cb -0.12 -3.65 0.06 0.00 -1.56 0.00 0.00 34.95 29.68 1xkw s ARG 374 CO -0.05 -0.48 0.49 -1.17 -0.81 0.00 0.00 175.30 173.27 1xkw s LEU 375 N 2.71 -0.16 -1.49 -0.88 2.96 0.06 -4.90 118.68 116.97 1xkw s LEU 375 Ca 0.31 1.03 -0.05 0.00 -0.22 0.00 0.00 54.13 55.20 1xkw s LEU 375 Cb -0.15 1.64 0.01 0.00 0.50 0.00 0.00 46.19 48.18 1xkw s LEU 375 CO 0.08 -0.19 0.71 0.49 -1.32 0.00 0.00 176.35 176.12 1xkw n PHE 376 N 3.77 -2.11 -0.98 5.38 3.72 -1.26 -1.85 117.46 124.13 1xkw n PHE 376 Ca -0.19 0.61 0.00 0.00 -0.05 0.00 0.00 57.45 57.82 1xkw n PHE 376 Cb 0.56 -4.55 0.00 0.00 -0.94 0.00 0.00 39.48 34.55 1xkw n PHE 376 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xkw n GLY 377 N -1.61 0.32 3.23 1.37 0.00 -1.26 -5.00 105.19 102.24 1xkw n GLY 377 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1xkw n GLY 377 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xkw s LEU 378 N 0.00 2.28 -0.17 0.99 1.43 -0.77 -5.11 118.68 117.32 1xkw s LEU 378 Ca 0.00 -0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 52.29 1xkw s LEU 378 Cb 0.00 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 1xkw s LEU 378 CO 0.00 0.01 0.45 -0.89 0.23 0.00 0.00 176.35 176.16 1xkw s THR 379 N -1.16 5.18 0.12 5.49 2.01 -1.26 -0.76 115.64 125.25 1xkw s THR 379 Ca 0.03 0.85 0.08 0.00 0.31 0.00 0.00 61.69 62.96 1xkw s THR 379 Cb -0.10 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1xkw s THR 379 CO 0.03 0.27 -0.13 -1.00 -0.69 0.00 0.00 174.62 173.10 1xkw s HIS 380 N 1.08 2.65 -0.14 4.92 0.09 0.02 -4.48 115.29 119.42 1xkw s HIS 380 Ca 0.23 -0.20 -0.00 0.00 -0.00 0.00 0.00 55.06 55.08 1xkw s HIS 380 Cb -0.15 -1.38 -0.01 0.00 -0.00 0.00 0.00 32.58 31.03 1xkw s HIS 380 CO 0.09 0.42 -0.12 -1.21 -0.00 0.00 0.00 174.74 173.92 1xkw s GLU 381 N -2.26 3.39 0.07 1.40 0.41 -0.80 -0.71 118.70 120.22 1xkw s GLU 381 Ca 0.20 -0.68 0.09 0.00 -0.41 0.00 0.00 54.97 54.17 1xkw s GLU 381 Cb -0.11 -2.67 -0.03 0.00 -1.78 0.00 0.00 34.13 29.54 1xkw s GLU 381 CO 0.13 0.18 -0.21 -0.51 -0.49 0.00 0.00 175.26 174.35 1xkw s LEU 382 N 0.44 2.50 -0.04 1.80 1.43 -0.73 -0.56 118.68 123.52 1xkw s LEU 382 Ca -0.09 -0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 52.44 1xkw s LEU 382 Cb -0.16 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.65 1xkw s LEU 382 CO 0.05 0.23 0.08 -0.22 0.23 0.00 0.00 176.35 176.71 1xkw s LEU 383 N -1.67 1.27 -0.04 1.79 2.96 -0.07 -2.27 118.68 120.66 1xkw s LEU 383 Ca 0.15 0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 54.19 1xkw s LEU 383 Cb -0.10 0.20 0.02 0.00 0.50 0.00 0.00 46.19 46.80 1xkw s LEU 383 CO 0.06 -0.09 0.10 -0.83 -1.32 0.00 0.00 176.35 174.27 1xkw s GLY 384 N 0.63 -0.05 0.30 7.98 0.00 -0.61 -0.20 107.32 115.37 1xkw s GLY 384 Ca -0.05 0.35 -0.16 0.00 0.00 0.00 0.00 44.72 44.86 1xkw s GLY 384 CO -0.02 0.40 0.65 -0.32 0.00 0.00 0.00 173.10 173.81 1xkw s GLY 385 N 0.32 0.33 0.02 0.20 0.00 0.46 -0.86 107.32 107.79 1xkw s GLY 385 Ca -0.02 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 44.05 1xkw s GLY 385 CO -0.01 -0.37 -0.08 -1.34 0.00 0.00 0.00 173.10 171.30 1xkw s VAL 386 N -3.46 0.60 0.02 1.40 -7.23 -0.13 -0.97 120.40 110.63 1xkw s VAL 386 Ca 0.17 -0.74 0.03 0.00 -1.81 0.00 0.00 61.98 59.63 1xkw s VAL 386 Cb -0.04 -0.59 -0.01 0.00 0.56 0.00 0.00 36.38 36.30 1xkw s VAL 386 CO 0.10 -0.12 -0.08 0.42 -0.31 0.00 0.00 175.10 175.11 1xkw s THR 387 N -0.80 0.61 -0.02 5.32 -4.23 0.09 -1.73 115.64 114.88 1xkw s THR 387 Ca -0.03 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1xkw s THR 387 Cb -0.07 -0.58 0.02 0.00 1.34 0.00 0.00 72.50 73.21 1xkw s THR 387 CO 0.00 -0.07 0.02 -0.47 -0.54 0.00 0.00 174.62 173.56 1xkw s TYR 388 N -0.71 0.09 -0.09 3.99 6.14 0.33 -0.25 117.35 126.85 1xkw s TYR 388 Ca -0.02 0.07 -0.08 0.00 0.64 0.00 0.00 57.07 57.68 1xkw s TYR 388 Cb -0.06 -0.23 0.03 0.00 0.42 0.00 0.00 41.96 42.12 1xkw s TYR 388 CO 0.00 -0.08 0.24 0.00 0.64 0.00 0.00 175.55 176.36 1xkw s ALA 389 N 0.82 -0.60 -0.07 3.97 0.00 -0.02 -0.26 121.76 125.60 1xkw s ALA 389 Ca -0.07 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 1xkw s ALA 389 Cb -0.10 -0.42 0.04 0.00 0.00 0.00 0.00 23.12 22.64 1xkw s ALA 389 CO -0.02 -0.12 0.14 -1.14 0.00 0.00 0.00 175.76 174.62 1xkw s GLN 390 N 0.21 0.05 0.09 0.00 0.74 -0.05 -0.02 119.66 120.69 1xkw s GLN 390 Ca -0.01 0.45 0.07 0.00 0.05 0.00 0.00 55.36 55.92 1xkw s GLN 390 Cb -0.02 -0.24 -0.03 0.00 1.10 0.00 0.00 33.01 33.82 1xkw s GLN 390 CO -0.00 -0.23 -0.19 0.20 -0.55 0.00 0.00 175.29 174.52 1xkw s GLY 391 N 1.69 1.11 -0.04 2.59 0.00 -0.39 -0.78 107.32 111.49 1xkw s GLY 391 Ca -0.03 -1.16 0.03 0.00 0.00 0.00 0.00 44.72 43.55 1xkw s GLY 391 CO -0.06 -1.17 -0.10 -0.54 0.00 0.00 0.00 173.10 171.23 1xkw s GLU 392 N -1.85 1.19 0.06 2.90 2.02 0.03 -0.90 118.70 122.17 1xkw s GLU 392 Ca 0.03 -0.34 0.05 0.00 0.02 0.00 0.00 54.97 54.73 1xkw s GLU 392 Cb -0.10 -1.07 -0.03 0.00 0.10 0.00 0.00 34.13 33.03 1xkw s GLU 392 CO 0.04 0.09 -0.14 0.95 0.02 0.00 0.00 175.26 176.22 1xkw s THR 393 N 0.34 1.08 -0.14 3.63 -4.23 -0.34 -1.54 115.64 114.44 1xkw s THR 393 Ca -0.06 -1.23 -0.14 0.00 -1.18 0.00 0.00 61.69 59.07 1xkw s THR 393 Cb -0.11 -1.04 0.04 0.00 1.34 0.00 0.00 72.50 72.73 1xkw s THR 393 CO 0.01 -0.19 0.39 -0.60 -0.54 0.00 0.00 174.62 173.70 1xkw s ARG 394 N -1.61 0.47 -0.16 3.99 3.52 -0.61 -1.02 118.95 123.52 1xkw s ARG 394 Ca -0.02 0.52 0.01 0.00 -0.13 0.00 0.00 55.73 56.12 1xkw s ARG 394 Cb -0.10 0.23 0.01 0.00 -1.56 0.00 0.00 34.95 33.53 1xkw s ARG 394 CO 0.02 -0.06 -0.19 -1.14 -0.81 0.00 0.00 175.30 173.12 1xkw s GLN 395 N 0.15 3.07 -0.17 5.12 0.74 -1.26 -1.56 119.66 125.75 1xkw s GLN 395 Ca -0.00 -0.81 -0.06 0.00 0.05 0.00 0.00 55.36 54.54 1xkw s GLN 395 Cb -0.03 -2.56 -0.03 0.00 1.10 0.00 0.00 33.01 31.48 1xkw s GLN 395 CO 0.01 -0.10 0.02 -0.51 -0.55 0.00 0.00 175.29 174.16 1xkw s ASP 396 N 1.05 5.27 -0.04 6.67 1.01 0.53 -4.42 116.67 126.75 1xkw s ASP 396 Ca -0.01 -0.02 0.06 0.00 0.71 0.00 0.00 52.55 53.29 1xkw s ASP 396 Cb -0.14 -1.89 -0.01 0.00 1.01 0.00 0.00 42.92 41.89 1xkw s ASP 396 CO -0.06 0.16 -0.21 -0.89 0.21 0.00 0.00 175.17 174.38 1xkw s THR 397 N 0.42 1.72 0.02 -1.27 2.01 0.24 -0.90 115.64 117.87 1xkw s THR 397 Ca 0.00 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.11 1xkw s THR 397 Cb -0.13 -1.45 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 1xkw s THR 397 CO 0.01 0.49 -0.04 0.00 -0.69 0.00 0.00 174.62 174.39 1xkw s ALA 398 N -0.20 0.28 0.35 7.40 0.00 -0.16 -1.32 121.76 128.11 1xkw s ALA 398 Ca 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.58 1xkw s ALA 398 Cb -0.11 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 1xkw s ALA 398 CO 0.02 -0.04 0.47 -0.98 0.00 0.00 0.00 175.76 175.23 1xkw s ARG 399 N -0.94 3.04 0.21 0.00 1.70 -1.26 -1.51 118.95 120.18 1xkw s ARG 399 Ca -0.08 -1.07 -0.29 0.00 -0.47 0.00 0.00 55.73 53.82 1xkw s ARG 399 Cb -0.06 -2.78 -0.08 0.00 -0.57 0.00 0.00 34.95 31.45 1xkw s ARG 399 CO -0.00 0.02 0.91 -0.06 -1.08 0.00 0.00 175.30 175.08 1xkw s PHE 400 N -2.21 3.95 -0.49 5.89 0.08 -1.26 -0.69 117.98 123.25 1xkw s PHE 400 Ca 0.46 1.85 0.24 0.00 0.12 0.00 0.00 56.93 59.59 1xkw s PHE 400 Cb -0.09 -2.95 0.41 0.00 -0.57 0.00 0.00 43.02 39.82 1xkw s PHE 400 CO 0.31 0.44 1.57 -0.07 -0.10 0.00 0.00 175.22 177.37 1xkw h LEU 401 N 4.37 0.00 -5.06 -0.37 3.38 -0.83 -3.41 115.31 113.39 1xkw h LEU 401 Ca -0.45 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.25 1xkw h LEU 401 Cb 1.20 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.76 1xkw h LEU 401 CO 0.68 0.01 -0.51 -0.46 0.09 0.00 0.00 178.44 178.25 1xkw n ASN 402 N -2.83 -1.57 -4.76 -0.43 6.94 -1.26 -5.00 115.26 106.36 1xkw n ASN 402 Ca 0.04 -2.91 -0.41 0.00 -0.02 0.00 0.00 54.58 51.28 1xkw n ASN 402 Cb 0.51 1.06 -0.02 0.00 -2.36 0.00 0.00 39.78 38.97 1xkw n ASN 402 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1xkw s LEU 403 N -2.86 4.40 0.33 -4.53 2.96 -1.26 -4.66 118.68 113.05 1xkw s LEU 403 Ca 0.24 2.68 -0.29 0.00 -0.22 0.00 0.00 54.13 56.53 1xkw s LEU 403 Cb 0.37 -3.63 -0.12 0.00 0.50 0.00 0.00 46.19 43.31 1xkw s LEU 403 CO -0.06 -0.64 1.50 -2.65 -1.32 0.00 0.00 176.35 173.18 1xkw n PRO 404 N 1.67 2.57 -2.69 0.98 -0.02 -1.26 -4.86 135.00 131.39 1xkw n PRO 404 Ca 0.04 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 62.00 1xkw n PRO 404 Cb 0.41 -2.63 -0.02 0.00 -0.02 0.00 0.00 33.50 31.23 1xkw n PRO 404 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1xkw s ASN 405 N 0.14 6.60 -0.15 2.55 3.84 -1.26 -4.92 114.94 121.74 1xkw s ASN 405 Ca 0.59 -1.80 0.01 0.00 0.21 0.00 0.00 52.86 51.88 1xkw s ASN 405 Cb -0.51 -2.51 0.02 0.00 -0.55 0.00 0.00 41.25 37.69 1xkw s ASN 405 CO 0.56 -1.31 -0.19 -0.89 -2.79 0.00 0.00 177.10 172.48 1xkw s THR 406 N 4.08 1.87 0.50 -5.21 2.01 -1.26 -5.07 115.64 112.56 1xkw s THR 406 Ca 0.43 -0.84 -0.19 0.00 0.31 0.00 0.00 61.69 61.40 1xkw s THR 406 Cb -0.01 -1.70 -0.08 0.00 0.01 0.00 0.00 72.50 70.72 1xkw s THR 406 CO -0.08 0.51 1.01 -2.16 -0.69 0.00 0.00 174.62 173.22 1xkw s PRO 407 N 1.18 3.84 -0.15 4.92 0.04 -1.26 -1.26 135.00 142.30 1xkw s PRO 407 Ca 0.00 1.22 0.02 0.00 0.04 0.00 0.00 61.00 62.28 1xkw s PRO 407 Cb -0.14 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.31 1xkw s PRO 407 CO -0.08 -0.38 -0.20 0.08 0.04 0.00 0.00 177.00 176.46 1xkw s VAL 408 N -2.21 1.98 -0.28 -0.36 1.01 0.17 -4.82 120.40 115.89 1xkw s VAL 408 Ca 0.64 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.62 1xkw s VAL 408 Cb -0.14 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1xkw s VAL 408 CO 0.23 0.53 0.12 0.21 0.00 0.00 0.00 175.10 176.19 1xkw s ASN 409 N 1.07 5.45 0.15 3.32 3.84 -1.26 -2.02 114.94 125.50 1xkw s ASN 409 Ca -0.01 -0.32 0.15 0.00 0.21 0.00 0.00 52.86 52.89 1xkw s ASN 409 Cb -0.14 -1.99 0.70 0.00 -0.55 0.00 0.00 41.25 39.27 1xkw s ASN 409 CO -0.07 -0.11 1.46 1.33 -2.79 0.00 0.00 177.10 176.92 1xkw n VAL 410 N 4.97 1.22 0.02 -5.21 0.24 -0.49 -1.52 118.33 117.55 1xkw n VAL 410 Ca -0.15 0.44 -0.01 0.00 -2.04 0.00 0.00 64.34 62.58 1xkw n VAL 410 Cb 0.50 -1.37 -0.10 0.00 -1.47 0.00 0.00 33.84 31.41 1xkw n VAL 410 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1xkw n TYR 411 N -1.89 0.87 -1.85 6.34 4.01 -1.26 -4.48 117.16 118.90 1xkw n TYR 411 Ca 0.01 0.29 0.05 0.00 -0.16 0.00 0.00 57.90 58.10 1xkw n TYR 411 Cb 0.11 -1.07 0.11 0.00 -0.31 0.00 0.00 39.34 38.18 1xkw n TYR 411 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1xkw n ARG 412 N -2.87 0.81 -2.20 -0.72 1.85 -0.99 -5.07 116.66 107.48 1xkw n ARG 412 Ca -0.12 -2.46 -0.41 0.00 -1.00 0.00 0.00 57.85 53.87 1xkw n ARG 412 Cb 0.87 -0.93 -0.03 0.00 -1.05 0.00 0.00 32.46 31.32 1xkw n ARG 412 CO 0.00 0.00 0.00 -0.46 -0.01 0.00 0.00 177.63 177.16 1xkw s TRP 413 N -1.70 3.20 -0.36 2.89 -0.11 -0.58 -4.93 118.94 117.35 1xkw s TRP 413 Ca 0.31 1.38 -0.01 0.00 1.22 0.00 0.00 56.10 58.99 1xkw s TRP 413 Cb 0.31 -3.60 0.09 0.00 -1.50 0.00 0.00 33.47 28.77 1xkw s TRP 413 CO -0.08 -1.69 0.10 0.34 -4.62 0.00 0.00 176.95 171.00 1xkw s ASP 414 N -0.25 5.04 0.50 5.86 -1.08 -1.26 -4.96 116.67 120.51 1xkw s ASP 414 Ca 0.51 -1.79 0.33 0.00 -0.52 0.00 0.00 52.55 51.08 1xkw s ASP 414 Cb -0.38 -1.75 1.80 0.00 -1.46 0.00 0.00 42.92 41.13 1xkw s ASP 414 CO 0.46 -0.42 2.01 -0.65 0.52 0.00 0.00 175.17 177.09 1xkw h PRO 415 N 7.95 0.00 -6.33 4.34 0.11 -1.86 -3.43 132.00 132.79 1xkw h PRO 415 Ca -0.14 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.52 1xkw h PRO 415 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1xkw h PRO 415 CO 0.61 0.00 -0.34 -1.01 -0.21 0.00 0.00 178.00 177.05 1xkw s HIS 416 N -3.85 3.27 0.00 0.65 3.76 -1.26 -0.75 115.29 117.11 1xkw s HIS 416 Ca -0.04 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.80 1xkw s HIS 416 Cb 0.10 -1.87 0.00 0.00 1.11 0.00 0.00 32.58 31.91 1xkw s HIS 416 CO 0.30 0.12 0.00 0.41 -0.85 0.00 0.00 174.74 174.72 1xkw n GLY 417 N -1.61 0.49 3.67 -2.22 0.00 -1.26 -4.97 105.19 99.28 1xkw n GLY 417 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1xkw n GLY 417 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xkw s VAL 418 N -2.43 4.78 0.13 1.61 1.01 -1.26 -4.98 120.40 119.27 1xkw s VAL 418 Ca 0.00 1.86 -0.35 0.00 0.00 0.00 0.00 61.98 63.49 1xkw s VAL 418 Cb 0.00 -4.24 -0.15 0.00 0.00 0.00 0.00 36.38 31.99 1xkw s VAL 418 CO 0.00 -0.07 1.46 -2.65 0.00 0.00 0.00 175.10 173.84 1xkw n PRO 419 N 5.68 1.70 -2.60 2.72 -0.02 -1.26 -4.93 135.00 136.29 1xkw n PRO 419 Ca 0.08 0.61 -0.43 0.00 -2.02 0.00 0.00 63.50 61.74 1xkw n PRO 419 Cb 0.48 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 1xkw n PRO 419 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1xkw s ARG 420 N 0.64 4.08 0.79 -0.52 3.52 -1.26 -4.69 118.95 121.51 1xkw s ARG 420 Ca 0.80 1.16 -0.11 0.00 -0.13 0.00 0.00 55.73 57.46 1xkw s ARG 420 Cb -0.80 -3.74 0.06 0.00 -1.56 0.00 0.00 34.95 28.91 1xkw s ARG 420 CO 0.42 -0.89 1.09 -1.25 -0.81 0.00 0.00 175.30 173.87 1xkw s PRO 421 N 3.65 2.15 0.09 5.12 0.04 -1.26 -5.05 135.00 139.74 1xkw s PRO 421 Ca 0.47 0.82 -0.15 0.00 0.04 0.00 0.00 61.00 62.19 1xkw s PRO 421 Cb -0.14 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 1xkw s PRO 421 CO 0.15 -1.62 0.50 -1.14 0.04 0.00 0.00 177.00 174.93 1xkw s GLN 422 N -5.05 3.97 -0.08 4.56 0.74 -1.26 -4.96 119.66 117.58 1xkw s GLN 422 Ca 0.61 0.46 -0.13 0.00 0.05 0.00 0.00 55.36 56.35 1xkw s GLN 422 Cb -0.15 -3.06 -0.05 0.00 1.10 0.00 0.00 33.01 30.84 1xkw s GLN 422 CO 0.55 0.57 0.32 0.42 -0.55 0.00 0.00 175.29 176.60 1xkw s ILE 423 N -1.30 5.23 0.00 -2.34 1.01 -1.26 -0.10 121.20 122.43 1xkw s ILE 423 Ca 0.32 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.59 1xkw s ILE 423 Cb -0.16 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1xkw s ILE 423 CO 0.18 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.25 1xkw n GLY 424 N 2.37 -0.02 3.77 6.18 0.00 0.14 -4.83 105.19 112.79 1xkw n GLY 424 Ca -0.14 -1.65 -0.39 0.00 0.00 0.00 0.00 46.02 43.84 1xkw n GLY 424 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xkw s GLN 425 N 0.44 4.49 0.08 1.61 -1.52 -1.26 -4.77 119.66 118.72 1xkw s GLN 425 Ca 0.00 1.70 -0.21 0.00 -1.95 0.00 0.00 55.36 54.90 1xkw s GLN 425 Cb 0.00 -2.98 -0.07 0.00 -0.22 0.00 0.00 33.01 29.75 1xkw s GLN 425 CO 0.00 0.10 0.63 0.71 -0.25 0.00 0.00 175.29 176.48 1xkw s TYR 426 N -1.33 3.81 0.23 0.91 1.51 -1.26 -4.38 117.35 116.84 1xkw s TYR 426 Ca 0.49 1.35 0.03 0.00 -1.01 0.00 0.00 57.07 57.93 1xkw s TYR 426 Cb -0.29 -2.59 -0.05 0.00 -0.11 0.00 0.00 41.96 38.93 1xkw s TYR 426 CO 0.36 0.52 0.01 0.95 -1.11 0.00 0.00 175.55 176.28 1xkw s THR 427 N -0.92 1.00 -0.19 -0.71 -4.23 -0.43 -4.87 115.64 105.29 1xkw s THR 427 Ca 0.31 -2.03 -0.27 0.00 -1.18 0.00 0.00 61.69 58.52 1xkw s THR 427 Cb -0.20 -2.38 0.08 0.00 1.34 0.00 0.00 72.50 71.34 1xkw s THR 427 CO 0.20 -0.29 0.73 -0.55 -0.54 0.00 0.00 174.62 174.17 1xkw s SER 428 N -3.31 -0.68 0.04 3.99 0.15 -1.26 -0.59 113.70 112.03 1xkw s SER 428 Ca 0.29 1.11 0.24 0.00 0.70 0.00 0.00 55.95 58.29 1xkw s SER 428 Cb 0.06 1.05 0.98 0.00 -1.71 0.00 0.00 66.02 66.39 1xkw s SER 428 CO 0.09 -0.38 1.75 -0.81 1.20 0.00 0.00 173.24 175.09 1xkw n PRO 429 N 1.94 0.04 0.00 5.44 -0.04 -1.26 -4.99 135.00 136.12 1xkw n PRO 429 Ca -0.16 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1xkw n PRO 429 Cb 0.56 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1xkw n PRO 429 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xkw n GLY 430 N 0.88 1.34 3.81 0.55 0.00 -1.26 -4.72 105.19 105.80 1xkw n GLY 430 Ca 0.05 -2.27 -0.35 0.00 0.00 0.00 0.00 46.02 43.45 1xkw n GLY 430 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xkw s THR 431 N -1.27 4.43 -0.18 2.61 2.01 -1.26 -4.62 115.64 117.37 1xkw s THR 431 Ca 0.00 1.44 -0.03 0.00 0.31 0.00 0.00 61.69 63.41 1xkw s THR 431 Cb 0.00 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1xkw s THR 431 CO 0.00 -0.02 -0.05 -0.89 -0.69 0.00 0.00 174.62 172.97 1xkw s THR 432 N -1.80 3.60 -0.16 -0.82 2.01 -0.19 -4.21 115.64 114.06 1xkw s THR 432 Ca 0.52 -0.44 -0.00 0.00 0.31 0.00 0.00 61.69 62.08 1xkw s THR 432 Cb -0.14 -2.60 0.00 0.00 0.01 0.00 0.00 72.50 69.77 1xkw s THR 432 CO 0.19 0.46 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.54 1xkw s THR 433 N 0.85 2.65 -0.12 -0.82 2.01 -0.23 -1.20 115.64 118.77 1xkw s THR 433 Ca -0.01 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1xkw s THR 433 Cb -0.15 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 1xkw s THR 433 CO 0.01 0.51 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.39 1xkw s THR 434 N 0.94 2.69 -0.08 -0.82 2.01 -0.08 -0.36 115.64 119.95 1xkw s THR 434 Ca -0.03 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.21 1xkw s THR 434 Cb -0.15 -2.10 0.01 0.00 0.01 0.00 0.00 72.50 70.27 1xkw s THR 434 CO -0.02 0.54 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.38 1xkw s THR 435 N 0.36 1.50 -0.03 -0.82 2.01 0.09 -1.26 115.64 117.49 1xkw s THR 435 Ca -0.14 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.19 1xkw s THR 435 Cb -0.17 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 71.01 1xkw s THR 435 CO 0.07 0.44 -0.11 -1.58 -0.69 0.00 0.00 174.62 172.74 1xkw s GLN 436 N 0.47 1.15 0.06 4.92 0.74 0.98 -1.70 119.66 126.28 1xkw s GLN 436 Ca -0.15 -0.38 0.08 0.00 0.05 0.00 0.00 55.36 54.95 1xkw s GLN 436 Cb -0.16 -1.05 -0.03 0.00 1.10 0.00 0.00 33.01 32.87 1xkw s GLN 436 CO 0.05 0.15 -0.21 0.15 -0.55 0.00 0.00 175.29 174.89 1xkw s LYS 437 N 0.12 1.31 -0.00 1.67 1.02 0.21 -0.84 119.74 123.23 1xkw s LYS 437 Ca -0.03 -1.02 -0.08 0.00 0.02 0.00 0.00 55.97 54.87 1xkw s LYS 437 Cb -0.09 -1.48 0.00 0.00 -0.52 0.00 0.00 37.83 35.74 1xkw s LYS 437 CO 0.01 0.37 0.15 0.20 -0.92 0.00 0.00 175.35 175.16 1xkw s GLY 438 N -1.42 0.02 -0.07 -3.33 0.00 0.65 -1.17 107.32 102.01 1xkw s GLY 438 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 44.72 44.71 1xkw s GLY 438 CO 0.03 -0.22 -0.01 -2.27 0.00 0.00 0.00 173.10 170.63 1xkw s LEU 439 N -1.32 0.78 0.09 0.66 2.96 -0.22 -0.73 118.68 120.90 1xkw s LEU 439 Ca -0.14 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1xkw s LEU 439 Cb -0.07 -0.46 -0.04 0.00 0.50 0.00 0.00 46.19 46.11 1xkw s LEU 439 CO 0.02 -0.16 -0.04 -0.72 -1.32 0.00 0.00 176.35 174.13 1xkw s TYR 440 N 1.74 0.82 -0.11 5.38 -0.85 -0.15 0.01 117.35 124.19 1xkw s TYR 440 Ca 0.02 -0.99 -0.21 0.00 -0.52 0.00 0.00 57.07 55.37 1xkw s TYR 440 Cb -0.13 -0.50 0.05 0.00 0.38 0.00 0.00 41.96 41.76 1xkw s TYR 440 CO -0.04 -0.24 0.51 0.00 -1.52 0.00 0.00 175.55 174.25 1xkw s ALA 441 N -3.74 -1.28 -0.11 9.51 0.00 -0.74 -0.40 121.76 125.01 1xkw s ALA 441 Ca 0.13 1.12 -0.15 0.00 0.00 0.00 0.00 51.96 53.06 1xkw s ALA 441 Cb 0.06 -0.38 0.04 0.00 0.00 0.00 0.00 23.12 22.84 1xkw s ALA 441 CO -0.05 -0.28 0.38 -1.17 0.00 0.00 0.00 175.76 174.64 1xkw s LEU 442 N -0.54 0.55 -0.02 0.00 2.96 0.72 -1.29 118.68 121.06 1xkw s LEU 442 Ca -0.07 0.59 0.04 0.00 -0.22 0.00 0.00 54.13 54.47 1xkw s LEU 442 Cb -0.03 1.37 -0.00 0.00 0.50 0.00 0.00 46.19 48.03 1xkw s LEU 442 CO 0.04 -0.24 -0.12 -0.83 -1.32 0.00 0.00 176.35 173.87 1xkw s GLY 443 N -0.28 0.64 -0.56 7.98 0.00 0.11 -0.89 107.32 114.33 1xkw s GLY 443 Ca -0.04 -0.51 -0.05 0.00 0.00 0.00 0.00 44.72 44.12 1xkw s GLY 443 CO 0.02 -0.33 0.39 0.50 0.00 0.00 0.00 173.10 173.68 1xkw s ARG 444 N -0.09 2.49 -0.20 2.90 0.52 0.28 -1.94 118.95 122.91 1xkw s ARG 444 Ca 0.01 -2.20 -0.15 0.00 -0.52 0.00 0.00 55.73 52.88 1xkw s ARG 444 Cb -0.07 -3.79 -0.04 0.00 0.52 0.00 0.00 34.95 31.56 1xkw s ARG 444 CO 0.00 -1.16 0.34 0.42 0.02 0.00 0.00 175.30 174.92 1xkw s ILE 445 N 0.54 5.25 -0.60 1.52 -1.09 -0.24 -1.90 121.20 124.68 1xkw s ILE 445 Ca 0.13 0.60 -0.28 0.00 -2.23 0.00 0.00 60.65 58.86 1xkw s ILE 445 Cb -0.21 -3.67 0.03 0.00 -1.58 0.00 0.00 42.46 37.02 1xkw s ILE 445 CO -0.04 0.30 1.20 -0.54 -1.23 0.00 0.00 174.94 174.63 1xkw s LYS 446 N 1.06 3.47 0.43 2.79 -0.14 -1.26 -0.07 119.74 126.02 1xkw s LYS 446 Ca 0.17 0.17 0.24 0.00 -1.36 0.00 0.00 55.97 55.19 1xkw s LYS 446 Cb -0.14 -4.04 0.66 0.00 -1.68 0.00 0.00 37.83 32.63 1xkw s LYS 446 CO 0.07 -1.74 1.72 -0.07 -0.76 0.00 0.00 175.35 174.56 1xkw h LEU 447 N 12.04 0.00 -7.30 3.17 3.38 -0.77 -3.46 115.31 122.37 1xkw h LEU 447 Ca -0.25 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.86 1xkw h LEU 447 Cb 1.06 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.69 1xkw h LEU 447 CO 1.20 0.16 0.50 0.00 0.09 0.00 0.00 178.44 180.38 1xkw s ALA 448 N -3.38 -1.76 0.26 1.53 0.00 -1.14 -4.98 121.76 112.30 1xkw s ALA 448 Ca 0.03 0.61 -0.02 0.00 0.00 0.00 0.00 51.96 52.59 1xkw s ALA 448 Cb 0.08 0.51 0.56 0.00 0.00 0.00 0.00 23.12 24.27 1xkw s ALA 448 CO 0.65 -0.86 1.68 0.93 0.00 0.00 0.00 175.76 178.16 1xkw h GLU 449 N 2.00 0.27 -0.65 0.00 5.08 -2.00 -0.63 114.58 118.65 1xkw h GLU 449 Ca -0.23 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1xkw h GLU 449 Cb 1.24 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1xkw h GLU 449 CO 0.28 0.18 0.00 -0.35 -1.00 0.00 0.00 179.01 178.12 1xkw n PRO 450 N -5.16 3.54 -3.85 2.33 -0.04 -1.26 -4.88 135.00 125.68 1xkw n PRO 450 Ca 0.17 -2.67 -0.26 0.00 -0.04 0.00 0.00 63.50 60.69 1xkw n PRO 450 Cb 0.54 -1.85 -0.17 0.00 -0.04 0.00 0.00 33.50 31.98 1xkw n PRO 450 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1xkw s LEU 451 N -1.72 1.14 -0.11 1.53 2.96 -0.24 -1.27 118.68 120.95 1xkw s LEU 451 Ca 0.48 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1xkw s LEU 451 Cb 0.31 -0.73 -0.01 0.00 0.50 0.00 0.00 46.19 46.26 1xkw s LEU 451 CO 0.23 -0.17 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.03 1xkw s THR 452 N 1.77 2.67 -0.22 3.68 2.01 -0.52 0.02 115.64 125.05 1xkw s THR 452 Ca 0.03 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.15 1xkw s THR 452 Cb -0.14 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1xkw s THR 452 CO -0.07 0.54 0.09 -0.22 -0.69 0.00 0.00 174.62 174.27 1xkw s LEU 453 N 0.29 3.78 -0.20 4.42 2.96 0.91 -0.42 118.68 130.41 1xkw s LEU 453 Ca -0.13 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1xkw s LEU 453 Cb -0.16 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 1xkw s LEU 453 CO 0.07 0.09 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.48 1xkw s VAL 454 N 0.90 3.74 -0.00 1.68 1.01 0.18 -1.08 120.40 126.84 1xkw s VAL 454 Ca 0.05 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1xkw s VAL 454 Cb -0.14 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1xkw s VAL 454 CO 0.03 0.43 -0.02 0.54 0.00 0.00 0.00 175.10 176.08 1xkw s VAL 455 N 1.14 0.15 0.25 2.92 0.11 -0.82 0.11 120.40 124.26 1xkw s VAL 455 Ca 0.02 -0.06 -0.21 0.00 -2.93 0.00 0.00 61.98 58.80 1xkw s VAL 455 Cb -0.14 -0.15 0.06 0.00 -1.53 0.00 0.00 36.38 34.62 1xkw s VAL 455 CO 0.01 0.05 0.91 -0.83 -3.33 0.00 0.00 175.10 171.91 1xkw s GLY 456 N 0.06 0.09 0.07 6.54 0.00 -0.53 -0.71 107.32 112.85 1xkw s GLY 456 Ca -0.00 -0.36 -0.26 0.00 0.00 0.00 0.00 44.72 44.10 1xkw s GLY 456 CO -0.00 0.77 0.67 -0.32 0.00 0.00 0.00 173.10 174.22 1xkw s GLY 457 N -3.15 -0.58 -0.01 0.20 0.00 -0.41 -1.23 107.32 102.15 1xkw s GLY 457 Ca 0.17 0.84 0.01 0.00 0.00 0.00 0.00 44.72 45.74 1xkw s GLY 457 CO 0.07 0.43 -0.03 -1.60 0.00 0.00 0.00 173.10 171.96 1xkw s ARG 458 N -2.89 0.38 -0.18 2.90 3.52 -0.57 -1.78 118.95 120.33 1xkw s ARG 458 Ca -0.02 -0.10 -0.05 0.00 -0.13 0.00 0.00 55.73 55.43 1xkw s ARG 458 Cb -0.01 -0.41 -0.03 0.00 -1.56 0.00 0.00 34.95 32.95 1xkw s ARG 458 CO -0.06 0.03 -0.01 -2.00 -0.81 0.00 0.00 175.30 172.45 1xkw s GLU 459 N 0.22 3.68 -0.02 5.12 2.56 0.10 -0.66 118.70 129.70 1xkw s GLU 459 Ca -0.02 -0.50 0.08 0.00 0.00 0.00 0.00 54.97 54.53 1xkw s GLU 459 Cb -0.05 -3.03 -0.02 0.00 2.00 0.00 0.00 34.13 33.03 1xkw s GLU 459 CO -0.00 0.13 -0.26 -1.12 -0.56 0.00 0.00 175.26 173.45 1xkw s SER 460 N 0.68 3.00 -0.10 -1.70 0.01 0.38 -1.06 113.70 114.91 1xkw s SER 460 Ca -0.01 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 56.83 1xkw s SER 460 Cb -0.14 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.73 1xkw s SER 460 CO 0.02 0.31 -0.22 0.26 0.41 0.00 0.00 173.24 174.02 1xkw s TRP 461 N -0.58 2.41 0.00 2.43 0.51 -0.32 -0.89 118.94 122.51 1xkw s TRP 461 Ca 0.09 -0.98 0.00 0.00 -2.12 0.00 0.00 56.10 53.09 1xkw s TRP 461 Cb -0.10 -1.62 -0.00 0.00 -0.81 0.00 0.00 33.47 30.94 1xkw s TRP 461 CO -0.01 -0.40 -0.00 -0.46 -0.51 0.00 0.00 176.95 175.56 1xkw s TRP 462 N 0.40 0.04 -0.02 -1.98 -0.00 -1.26 -0.62 118.94 115.50 1xkw s TRP 462 Ca -0.18 -0.03 -0.16 0.00 -0.00 0.00 0.00 56.10 55.72 1xkw s TRP 462 Cb -0.18 -0.03 0.03 0.00 -0.00 0.00 0.00 33.47 33.29 1xkw s TRP 462 CO 0.08 -0.01 0.35 0.16 -0.00 0.00 0.00 176.95 177.53 1xkw s ASP 463 N -0.09 -0.24 -0.05 5.86 1.47 -0.69 -4.08 116.67 118.85 1xkw s ASP 463 Ca -0.01 0.16 -0.02 0.00 1.18 0.00 0.00 52.55 53.86 1xkw s ASP 463 Cb -0.01 0.34 0.04 0.00 -0.34 0.00 0.00 42.92 42.95 1xkw s ASP 463 CO -0.00 -0.46 0.11 -1.58 0.68 0.00 0.00 175.17 173.92 1xkw s GLN 464 N -1.28 0.04 -0.40 2.11 0.74 -0.44 -0.73 119.66 119.70 1xkw s GLN 464 Ca -0.13 0.34 -0.12 0.00 0.05 0.00 0.00 55.36 55.50 1xkw s GLN 464 Cb -0.05 -0.22 0.04 0.00 1.10 0.00 0.00 33.01 33.88 1xkw s GLN 464 CO 0.05 -0.19 0.25 -0.51 -0.55 0.00 0.00 175.29 174.34 1xkw s ASP 465 N 1.30 5.85 0.31 6.67 1.01 0.51 -0.35 116.67 131.97 1xkw s ASP 465 Ca -0.07 -1.09 0.07 0.00 0.71 0.00 0.00 52.55 52.17 1xkw s ASP 465 Cb -0.12 -2.07 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 1xkw s ASP 465 CO -0.05 -0.45 0.36 0.42 0.21 0.00 0.00 175.17 175.66 1xkw s THR 466 N 1.57 4.12 0.55 -1.27 -4.23 0.26 -1.07 115.64 115.58 1xkw s THR 466 Ca 0.03 -1.16 0.26 0.00 -1.18 0.00 0.00 61.69 59.64 1xkw s THR 466 Cb -0.20 -3.40 0.39 0.00 1.34 0.00 0.00 72.50 70.62 1xkw s THR 466 CO 0.07 -0.21 2.00 -0.65 -0.54 0.00 0.00 174.62 175.29 1xkw h PRO 467 N 1.12 0.00 0.06 3.99 0.11 -1.85 -2.68 132.00 132.75 1xkw h PRO 467 Ca -0.47 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.31 1xkw h PRO 467 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1xkw h PRO 467 CO 0.57 0.00 -1.94 0.00 -0.21 0.00 0.00 178.00 176.42 1xkw n ALA 468 N -2.55 1.20 -2.86 -0.75 0.00 -1.26 -5.02 120.51 109.27 1xkw n ALA 468 Ca 0.08 -0.74 -0.10 0.00 0.00 0.00 0.00 53.44 52.68 1xkw n ALA 468 Cb 0.56 -0.68 -0.10 0.00 0.00 0.00 0.00 19.45 19.23 1xkw n ALA 468 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xkw s THR 469 N -2.57 0.12 -0.63 0.00 2.01 -1.01 -5.10 115.64 108.47 1xkw s THR 469 Ca -0.15 -0.97 -0.10 0.00 0.31 0.00 0.00 61.69 60.77 1xkw s THR 469 Cb 0.07 -0.65 0.16 0.00 0.01 0.00 0.00 72.50 72.09 1xkw s THR 469 CO 0.78 -0.54 0.52 -0.13 -0.69 0.00 0.00 174.62 174.56 1xkw s ARG 470 N -2.07 2.91 -0.16 4.92 0.52 -1.26 -0.57 118.95 123.24 1xkw s ARG 470 Ca -0.10 -2.15 -0.27 0.00 -0.52 0.00 0.00 55.73 52.69 1xkw s ARG 470 Cb -0.05 -4.08 -0.01 0.00 0.52 0.00 0.00 34.95 31.33 1xkw s ARG 470 CO -0.02 -1.24 0.92 -0.06 0.02 0.00 0.00 175.30 174.92 1xkw s PHE 471 N 0.69 3.44 -0.41 -0.53 0.08 0.53 -4.97 117.98 116.81 1xkw s PHE 471 Ca 0.12 1.39 0.10 0.00 0.12 0.00 0.00 56.93 58.65 1xkw s PHE 471 Cb -0.20 -3.10 0.32 0.00 -0.57 0.00 0.00 43.02 39.46 1xkw s PHE 471 CO -0.03 -0.27 0.70 1.63 -0.10 0.00 0.00 175.22 177.14 1xkw n LYS 472 N 5.33 1.23 -0.92 0.44 5.02 -1.26 -1.33 118.16 126.67 1xkw n LYS 472 Ca 0.07 -3.57 -0.32 0.00 -2.02 0.00 0.00 58.31 52.47 1xkw n LYS 472 Cb 0.48 -1.66 0.14 0.00 -0.02 0.00 0.00 35.03 33.98 1xkw n LYS 472 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xkw s PRO 473 N -2.20 1.43 0.76 1.97 0.04 -1.26 -4.98 135.00 130.77 1xkw s PRO 473 Ca 0.40 1.51 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 1xkw s PRO 473 Cb 0.28 -1.78 0.05 0.00 0.04 0.00 0.00 34.50 33.10 1xkw s PRO 473 CO -0.09 -2.32 1.10 0.20 0.04 0.00 0.00 177.00 175.93 1xkw s GLY 474 N -2.71 1.76 1.05 0.56 0.00 -1.26 -4.69 107.32 102.03 1xkw s GLY 474 Ca 0.67 0.33 -0.13 0.00 0.00 0.00 0.00 44.72 45.59 1xkw s GLY 474 CO 0.56 0.69 0.74 -0.96 0.00 0.00 0.00 173.10 174.12 1xkw n ARG 475 N -3.39 -1.32 -4.05 2.90 1.85 -1.26 -4.84 116.66 106.56 1xkw n ARG 475 Ca 0.09 -0.35 -0.15 0.00 -1.00 0.00 0.00 57.85 56.45 1xkw n ARG 475 Cb 0.53 -2.07 -0.15 0.00 -1.05 0.00 0.00 32.46 29.72 1xkw n ARG 475 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1xkw s GLN 476 N -4.13 0.29 -0.15 2.89 2.00 -0.06 -4.97 119.66 115.53 1xkw s GLN 476 Ca 0.63 -0.10 -0.06 0.00 -2.00 0.00 0.00 55.36 53.83 1xkw s GLN 476 Cb -0.21 -0.31 -0.04 0.00 0.80 0.00 0.00 33.01 33.25 1xkw s GLN 476 CO 0.64 0.05 0.07 0.12 -0.50 0.00 0.00 175.29 175.66 1xkw s PHE 477 N 0.07 3.30 -0.21 1.67 5.36 -1.26 -0.47 117.98 126.44 1xkw s PHE 477 Ca -0.00 0.19 0.01 0.00 -0.96 0.00 0.00 56.93 56.17 1xkw s PHE 477 Cb -0.03 -2.00 0.05 0.00 -0.34 0.00 0.00 43.02 40.70 1xkw s PHE 477 CO -0.00 0.33 -0.10 0.99 -1.46 0.00 0.00 175.22 174.98 1xkw s THR 478 N -0.14 1.71 0.65 0.12 2.01 0.17 -4.98 115.64 115.19 1xkw s THR 478 Ca 0.07 -1.14 -0.07 0.00 0.31 0.00 0.00 61.69 60.86 1xkw s THR 478 Cb -0.12 -1.82 0.03 0.00 0.01 0.00 0.00 72.50 70.59 1xkw s THR 478 CO 0.01 0.10 0.98 -2.16 -0.69 0.00 0.00 174.62 172.86 1xkw s PRO 479 N 1.35 2.68 -0.16 4.92 0.04 -1.26 -1.51 135.00 141.05 1xkw s PRO 479 Ca -0.03 0.02 -0.12 0.00 0.04 0.00 0.00 61.00 60.91 1xkw s PRO 479 Cb -0.17 -2.19 0.05 0.00 0.04 0.00 0.00 34.50 32.23 1xkw s PRO 479 CO -0.07 -0.94 0.42 -0.47 0.04 0.00 0.00 177.00 175.97 1xkw s TYR 480 N -3.15 -0.53 -0.09 0.56 5.04 -0.36 -3.93 117.35 114.89 1xkw s TYR 480 Ca 0.57 1.21 -0.13 0.00 -2.44 0.00 0.00 57.07 56.27 1xkw s TYR 480 Cb -0.11 0.21 0.03 0.00 0.35 0.00 0.00 41.96 42.44 1xkw s TYR 480 CO 0.46 -0.28 0.33 0.20 -1.34 0.00 0.00 175.55 174.93 1xkw s GLY 481 N 0.75 -0.22 0.16 8.97 0.00 -0.35 -1.45 107.32 115.17 1xkw s GLY 481 Ca -0.04 0.76 -0.19 0.00 0.00 0.00 0.00 44.72 45.25 1xkw s GLY 481 CO -0.05 0.60 0.50 -0.32 0.00 0.00 0.00 173.10 173.83 1xkw s GLY 482 N -0.31 -0.33 -0.01 0.20 0.00 0.12 0.62 107.32 107.60 1xkw s GLY 482 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.74 1xkw s GLY 482 CO 0.02 -0.14 0.01 -2.27 0.00 0.00 0.00 173.10 170.71 1xkw s LEU 483 N -2.81 1.54 -0.16 0.66 2.96 0.07 0.51 118.68 121.45 1xkw s LEU 483 Ca 0.04 0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 53.96 1xkw s LEU 483 Cb 0.00 -0.06 0.04 0.00 0.50 0.00 0.00 46.19 46.66 1xkw s LEU 483 CO -0.09 -0.06 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.16 1xkw s ILE 484 N 0.53 1.30 -0.40 6.68 1.01 0.44 -1.72 121.20 129.04 1xkw s ILE 484 Ca -0.05 -0.66 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 1xkw s ILE 484 Cb -0.07 -1.38 0.06 0.00 0.01 0.00 0.00 42.46 41.08 1xkw s ILE 484 CO -0.01 0.24 0.24 0.86 0.00 0.00 0.00 174.94 176.26 1xkw s TRP 485 N 1.57 3.29 -1.36 3.97 -0.00 0.46 -1.44 118.94 125.43 1xkw s TRP 485 Ca 0.02 -1.28 -0.16 0.00 -0.00 0.00 0.00 56.10 54.68 1xkw s TRP 485 Cb -0.15 -2.72 0.06 0.00 -0.00 0.00 0.00 33.47 30.66 1xkw s TRP 485 CO -0.08 -0.76 1.92 -0.25 -0.00 0.00 0.00 176.95 177.77 1xkw n ASP 486 N 4.96 4.55 0.00 5.86 8.00 -0.40 -0.80 116.55 138.72 1xkw n ASP 486 Ca -0.11 -2.89 0.05 0.00 0.71 0.00 0.00 54.79 52.54 1xkw n ASP 486 Cb 0.44 -1.71 0.24 0.00 -0.02 0.00 0.00 41.12 40.07 1xkw n ASP 486 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1xkw n PHE 487 N 7.42 0.00 -3.67 1.24 1.16 -1.15 -4.76 117.46 117.71 1xkw n PHE 487 Ca 0.50 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.98 1xkw n PHE 487 Cb 0.43 -0.25 -0.03 0.00 -1.61 0.00 0.00 39.48 38.03 1xkw n PHE 487 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1xkw s ALA 488 N -2.49 -1.18 0.33 1.98 0.00 -1.20 -4.99 121.76 114.19 1xkw s ALA 488 Ca 0.09 -0.03 0.10 0.00 0.00 0.00 0.00 51.96 52.13 1xkw s ALA 488 Cb 0.06 0.86 0.88 0.00 0.00 0.00 0.00 23.12 24.92 1xkw s ALA 488 CO 0.14 -0.83 1.75 -0.09 0.00 0.00 0.00 175.76 176.72 1xkw h ARG 489 N 2.11 0.59 -0.15 0.00 2.43 -2.03 -2.67 114.38 114.67 1xkw h ARG 489 Ca -0.29 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1xkw h ARG 489 Cb 1.27 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1xkw h ARG 489 CO 0.35 0.39 0.00 -0.25 -1.51 0.00 0.00 179.97 178.95 1xkw n ASP 490 N -4.81 2.45 -4.25 -3.80 8.00 -1.26 -5.03 116.55 107.85 1xkw n ASP 490 Ca 0.26 -2.09 -0.18 0.00 0.71 0.00 0.00 54.79 53.49 1xkw n ASP 490 Cb 0.71 -0.13 -0.11 0.00 -0.02 0.00 0.00 41.12 41.57 1xkw n ASP 490 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1xkw s TRP 491 N -1.15 1.43 -0.01 1.24 0.52 -1.01 -1.26 118.94 118.70 1xkw s TRP 491 Ca 0.12 -0.55 -0.07 0.00 0.02 0.00 0.00 56.10 55.62 1xkw s TRP 491 Cb 0.07 -0.74 0.00 0.00 -1.15 0.00 0.00 33.47 31.65 1xkw s TRP 491 CO 0.07 0.16 0.14 -1.12 0.02 0.00 0.00 176.95 176.22 1xkw s SER 492 N -2.48 -0.02 -0.10 2.95 0.01 -0.74 -2.91 113.70 110.40 1xkw s SER 492 Ca 0.09 -0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.29 1xkw s SER 492 Cb -0.05 0.24 -0.02 0.00 0.21 0.00 0.00 66.02 66.40 1xkw s SER 492 CO 0.03 -0.29 -0.14 0.86 0.41 0.00 0.00 173.24 174.11 1xkw s TRP 493 N -1.02 2.75 0.15 2.43 -0.00 0.02 -1.97 118.94 121.30 1xkw s TRP 493 Ca -0.11 -0.51 0.02 0.00 -0.00 0.00 0.00 56.10 55.50 1xkw s TRP 493 Cb -0.06 -1.76 -0.04 0.00 -0.00 0.00 0.00 33.47 31.60 1xkw s TRP 493 CO 0.01 -0.09 -0.02 1.52 -0.00 0.00 0.00 176.95 178.36 1xkw s TYR 494 N -0.01 1.13 -0.12 5.86 1.13 0.12 -0.40 117.35 125.06 1xkw s TYR 494 Ca -0.04 -0.97 -0.11 0.00 -1.41 0.00 0.00 57.07 54.54 1xkw s TYR 494 Cb -0.14 -0.64 0.03 0.00 -1.10 0.00 0.00 41.96 40.11 1xkw s TYR 494 CO 0.04 -0.17 0.32 0.54 -2.51 0.00 0.00 175.55 173.77 1xkw s VAL 495 N -3.62 0.00 0.05 -3.49 0.11 -0.70 -1.28 120.40 111.47 1xkw s VAL 495 Ca 0.20 -0.01 -0.14 0.00 -2.93 0.00 0.00 61.98 59.10 1xkw s VAL 495 Cb 0.06 -0.45 0.02 0.00 -1.53 0.00 0.00 36.38 34.48 1xkw s VAL 495 CO 0.01 -0.00 0.32 -0.94 -3.33 0.00 0.00 175.10 171.16 1xkw s SER 496 N 0.15 -0.14 -0.15 3.54 1.04 0.85 -0.75 113.70 118.24 1xkw s SER 496 Ca -0.00 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1xkw s SER 496 Cb -0.02 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.50 1xkw s SER 496 CO 0.00 -0.65 -0.11 -0.47 0.98 0.00 0.00 173.24 173.00 1xkw s TYR 497 N -2.71 1.96 -0.01 5.02 5.04 0.20 -1.43 117.35 125.41 1xkw s TYR 497 Ca -0.04 -1.12 0.03 0.00 -2.44 0.00 0.00 57.07 53.50 1xkw s TYR 497 Cb -0.00 -1.47 -0.01 0.00 0.35 0.00 0.00 41.96 40.83 1xkw s TYR 497 CO -0.04 -0.63 -0.10 0.00 -1.34 0.00 0.00 175.55 173.44 1xkw s ALA 498 N 1.55 0.83 0.17 3.97 0.00 -0.57 -1.21 121.76 126.51 1xkw s ALA 498 Ca 0.04 -0.42 0.11 0.00 0.00 0.00 0.00 51.96 51.68 1xkw s ALA 498 Cb -0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1xkw s ALA 498 CO -0.09 0.20 -0.23 -1.21 0.00 0.00 0.00 175.76 174.42 1xkw s GLU 499 N -0.19 1.43 -0.10 0.00 2.02 -1.25 -0.33 118.70 120.27 1xkw s GLU 499 Ca 0.03 -1.45 -0.11 0.00 0.02 0.00 0.00 54.97 53.47 1xkw s GLU 499 Cb -0.04 -1.73 0.03 0.00 0.10 0.00 0.00 34.13 32.49 1xkw s GLU 499 CO -0.00 0.38 0.30 0.54 0.02 0.00 0.00 175.26 176.49 1xkw s VAL 500 N -1.59 0.01 0.04 2.63 0.11 -0.86 -2.53 120.40 118.20 1xkw s VAL 500 Ca 0.18 -0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.24 1xkw s VAL 500 Cb -0.08 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 1xkw s VAL 500 CO 0.08 -0.02 -0.16 -0.31 -3.33 0.00 0.00 175.10 171.36 1xkw s TYR 501 N 0.03 2.63 -0.35 1.54 1.51 -1.26 -0.44 117.35 121.01 1xkw s TYR 501 Ca -0.01 -0.21 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 1xkw s TYR 501 Cb -0.02 -1.49 0.10 0.00 -0.11 0.00 0.00 41.96 40.44 1xkw s TYR 501 CO 0.01 0.28 0.07 -1.14 -1.11 0.00 0.00 175.55 173.66 1xkw s GLN 502 N -1.46 1.40 0.61 -0.62 2.00 0.05 -1.73 119.66 119.91 1xkw s GLN 502 Ca 0.15 -1.82 -0.18 0.00 -2.00 0.00 0.00 55.36 51.52 1xkw s GLN 502 Cb -0.11 -3.03 -0.07 0.00 0.80 0.00 0.00 33.01 30.61 1xkw s GLN 502 CO 0.06 -0.96 0.61 -0.35 -0.50 0.00 0.00 175.29 174.15 1xkw n PRO 503 N 4.25 0.53 0.00 1.67 -0.04 -1.26 -1.47 135.00 138.68 1xkw n PRO 503 Ca 0.03 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1xkw n PRO 503 Cb 0.41 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1xkw n PRO 503 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1xkw n PRO 514 N -0.42 0.00 -2.23 0.54 -0.02 -1.26 -4.50 135.00 127.11 1xkw n PRO 514 Ca 0.12 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.26 1xkw n PRO 514 Cb 0.48 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.96 1xkw n PRO 514 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xkw s LEU 515 N -1.54 3.68 0.84 2.45 1.43 -1.26 -5.02 118.68 119.26 1xkw s LEU 515 Ca 0.00 2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 54.99 1xkw s LEU 515 Cb 0.00 -4.56 0.10 0.00 0.03 0.00 0.00 46.19 41.76 1xkw s LEU 515 CO 0.00 -1.13 1.09 -0.44 0.23 0.00 0.00 176.35 176.10 1xkw s SER 516 N -2.16 3.89 0.47 2.29 0.01 -1.26 -4.98 113.70 111.96 1xkw s SER 516 Ca 0.68 1.69 -0.22 0.00 1.31 0.00 0.00 55.95 59.41 1xkw s SER 516 Cb -0.19 -2.36 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 1xkw s SER 516 CO 0.29 -2.40 1.13 -2.84 0.41 0.00 0.00 173.24 169.83 1xkw s PRO 517 N -4.90 3.75 -0.14 12.44 0.02 -1.26 -4.96 135.00 139.95 1xkw s PRO 517 Ca 0.63 1.67 -0.24 0.00 0.02 0.00 0.00 61.00 63.08 1xkw s PRO 517 Cb -0.18 -2.33 -0.02 0.00 0.02 0.00 0.00 34.50 31.99 1xkw s PRO 517 CO 0.57 -0.54 0.74 0.08 -0.33 0.00 0.00 177.00 177.52 1xkw s VAL 518 N -1.64 4.97 -0.21 3.83 1.01 -0.54 -4.71 120.40 123.11 1xkw s VAL 518 Ca 0.65 1.47 -0.07 0.00 0.00 0.00 0.00 61.98 64.03 1xkw s VAL 518 Cb -0.26 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1xkw s VAL 518 CO 0.31 0.13 0.07 -0.70 0.00 0.00 0.00 175.10 174.90 1xkw s GLU 519 N 1.61 3.83 -0.38 2.72 2.12 -0.16 -0.77 118.70 127.67 1xkw s GLU 519 Ca 0.36 -0.41 -0.04 0.00 0.36 0.00 0.00 54.97 55.25 1xkw s GLU 519 Cb -0.17 -3.26 0.09 0.00 0.26 0.00 0.00 34.13 31.04 1xkw s GLU 519 CO 0.14 0.07 0.15 0.20 -0.54 0.00 0.00 175.26 175.28 1xkw s GLY 520 N 0.93 1.92 -0.18 -1.50 0.00 0.41 0.09 107.32 108.99 1xkw s GLY 520 Ca 0.04 -2.23 -0.06 0.00 0.00 0.00 0.00 44.72 42.47 1xkw s GLY 520 CO 0.03 0.92 0.02 -1.59 0.00 0.00 0.00 173.10 172.47 1xkw s LYS 521 N 1.23 3.76 -0.20 2.90 -2.85 -0.46 -2.02 119.74 122.10 1xkw s LYS 521 Ca 0.03 -0.46 -0.05 0.00 -1.00 0.00 0.00 55.97 54.50 1xkw s LYS 521 Cb -0.22 -3.09 -0.02 0.00 -2.06 0.00 0.00 37.83 32.44 1xkw s LYS 521 CO -0.02 0.16 0.00 0.99 0.10 0.00 0.00 175.35 176.59 1xkw s THR 522 N 0.62 4.00 -0.18 3.79 2.01 0.55 -0.96 115.64 125.48 1xkw s THR 522 Ca 0.00 -0.30 -0.05 0.00 0.31 0.00 0.00 61.69 61.66 1xkw s THR 522 Cb -0.14 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 1xkw s THR 522 CO 0.02 0.43 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.06 1xkw s TYR 523 N 1.00 3.07 -0.03 4.92 1.51 0.32 -1.51 117.35 126.63 1xkw s TYR 523 Ca 0.02 -0.29 -0.10 0.00 -1.01 0.00 0.00 57.07 55.68 1xkw s TYR 523 Cb -0.14 -2.03 0.01 0.00 -0.11 0.00 0.00 41.96 39.69 1xkw s TYR 523 CO 0.02 -0.08 0.23 -2.00 -1.11 0.00 0.00 175.55 172.60 1xkw s GLU 524 N 0.62 0.50 -0.02 -0.62 2.12 -0.52 -0.77 118.70 120.01 1xkw s GLU 524 Ca -0.01 -0.15 -0.04 0.00 0.36 0.00 0.00 54.97 55.14 1xkw s GLU 524 Cb -0.14 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.48 1xkw s GLU 524 CO 0.02 -0.12 0.10 -0.08 -0.54 0.00 0.00 175.26 174.64 1xkw s THR 525 N -1.00 0.04 0.21 -1.70 -1.32 -0.76 -0.11 115.64 111.00 1xkw s THR 525 Ca -0.11 -0.30 -0.18 0.00 -1.21 0.00 0.00 61.69 59.89 1xkw s THR 525 Cb -0.05 -0.24 0.07 0.00 -1.51 0.00 0.00 72.50 70.76 1xkw s THR 525 CO 0.02 -0.16 0.89 0.61 -2.21 0.00 0.00 174.62 173.76 1xkw n GLY 526 N 2.44 0.76 3.13 6.08 0.00 -0.41 -1.25 105.19 115.95 1xkw n GLY 526 Ca -0.17 -1.15 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 1xkw n GLY 526 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xkw s ILE 527 N -2.12 1.33 -0.01 -0.61 -1.09 0.72 -0.71 121.20 118.72 1xkw s ILE 527 Ca 0.19 -0.69 0.03 0.00 -2.23 0.00 0.00 60.65 57.95 1xkw s ILE 527 Cb -0.03 -1.13 -0.01 0.00 -1.58 0.00 0.00 42.46 39.71 1xkw s ILE 527 CO 0.06 0.38 -0.10 -0.54 -1.23 0.00 0.00 174.94 173.52 1xkw s LYS 528 N -0.14 0.82 -0.01 2.79 1.02 -0.83 -0.33 119.74 123.05 1xkw s LYS 528 Ca 0.01 -0.36 0.04 0.00 0.02 0.00 0.00 55.97 55.68 1xkw s LYS 528 Cb -0.09 -0.79 -0.01 0.00 -0.52 0.00 0.00 37.83 36.42 1xkw s LYS 528 CO 0.01 0.22 -0.13 0.20 -0.92 0.00 0.00 175.35 174.73 1xkw s GLY 529 N -0.24 0.64 -0.32 -3.33 0.00 0.39 -1.80 107.32 102.66 1xkw s GLY 529 Ca 0.04 -0.54 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 1xkw s GLY 529 CO -0.00 -0.41 0.04 -1.83 0.00 0.00 0.00 173.10 170.90 1xkw s GLU 530 N -0.21 2.18 0.56 2.90 -1.05 -0.39 -0.92 118.70 121.77 1xkw s GLU 530 Ca 0.03 -1.48 0.09 0.00 -0.15 0.00 0.00 54.97 53.46 1xkw s GLU 530 Cb -0.06 -3.24 0.07 0.00 -0.44 0.00 0.00 34.13 30.46 1xkw s GLU 530 CO -0.00 -0.76 0.68 -0.51 0.95 0.00 0.00 175.26 175.62 1xkw s LEU 531 N 1.16 3.01 -1.44 1.83 1.43 0.10 -4.33 118.68 120.44 1xkw s LEU 531 Ca -0.01 -0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 52.15 1xkw s LEU 531 Cb -0.20 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.48 1xkw s LEU 531 CO -0.03 -1.26 0.30 0.00 0.23 0.00 0.00 176.35 175.59 1xkw n ALA 532 N -2.10 -2.02 -1.49 4.21 0.00 -1.26 0.90 120.51 118.75 1xkw n ALA 532 Ca 0.11 -0.32 -0.15 0.00 0.00 0.00 0.00 53.44 53.08 1xkw n ALA 532 Cb 0.62 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 1xkw n ALA 532 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xkw n ASP 533 N -2.95 -4.76 0.00 0.00 9.92 -1.26 -1.71 116.55 115.79 1xkw n ASP 533 Ca -0.31 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1xkw n ASP 533 Cb 0.69 -3.58 0.00 0.00 -0.64 0.00 0.00 41.12 37.59 1xkw n ASP 533 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xkw n GLY 534 N -1.15 0.75 0.23 0.44 0.00 0.26 -4.93 105.19 100.78 1xkw n GLY 534 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1xkw n GLY 534 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xkw n ARG 535 N -2.43 0.71 -3.83 1.61 1.74 -0.67 -4.55 116.66 109.24 1xkw n ARG 535 Ca 0.00 -0.46 -0.22 0.00 -0.77 0.00 0.00 57.85 56.40 1xkw n ARG 535 Cb 0.00 -1.49 -0.17 0.00 -1.02 0.00 0.00 32.46 29.78 1xkw n ARG 535 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1xkw s LEU 536 N -2.60 0.71 -0.10 0.55 2.96 -0.99 -0.15 118.68 119.06 1xkw s LEU 536 Ca 0.21 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 1xkw s LEU 536 Cb 0.19 -0.43 0.01 0.00 0.50 0.00 0.00 46.19 46.45 1xkw s LEU 536 CO 0.57 -0.17 -0.20 0.20 -1.32 0.00 0.00 176.35 175.43 1xkw s ASN 537 N 1.79 2.77 0.18 3.68 0.01 -0.36 0.01 114.94 123.02 1xkw s ASN 537 Ca 0.02 -0.50 0.10 0.00 -0.71 0.00 0.00 52.86 51.77 1xkw s ASN 537 Cb -0.13 -1.27 -0.04 0.00 0.41 0.00 0.00 41.25 40.22 1xkw s ASN 537 CO -0.04 0.10 -0.22 -0.76 -1.51 0.00 0.00 177.10 174.67 1xkw s LEU 538 N 0.59 2.43 0.05 0.60 1.43 -0.10 -1.35 118.68 122.33 1xkw s LEU 538 Ca -0.14 -0.86 -0.22 0.00 -1.03 0.00 0.00 54.13 51.89 1xkw s LEU 538 Cb -0.17 -1.02 0.05 0.00 0.03 0.00 0.00 46.19 45.09 1xkw s LEU 538 CO 0.04 0.06 0.51 -0.94 0.23 0.00 0.00 176.35 176.24 1xkw s SER 539 N -2.63 -0.42 -0.03 2.29 1.04 0.41 -0.47 113.70 113.89 1xkw s SER 539 Ca 0.18 0.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.75 1xkw s SER 539 Cb -0.07 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.56 1xkw s SER 539 CO 0.08 -0.72 0.07 -0.22 0.98 0.00 0.00 173.24 173.43 1xkw s LEU 540 N -1.99 1.12 0.00 2.42 2.96 0.55 -1.78 118.68 121.96 1xkw s LEU 540 Ca -0.05 0.13 -0.11 0.00 -0.22 0.00 0.00 54.13 53.88 1xkw s LEU 540 Cb -0.01 0.11 0.01 0.00 0.50 0.00 0.00 46.19 46.80 1xkw s LEU 540 CO -0.02 -0.11 0.22 0.00 -1.32 0.00 0.00 176.35 175.12 1xkw s ALA 541 N 0.89 -0.54 -0.03 5.97 0.00 -0.34 -0.20 121.76 127.51 1xkw s ALA 541 Ca -0.07 0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.00 1xkw s ALA 541 Cb -0.10 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1xkw s ALA 541 CO -0.03 -0.26 -0.21 0.00 0.00 0.00 0.00 175.76 175.26 1xkw s ALA 542 N -1.55 1.79 0.05 0.00 0.00 -0.38 -0.07 121.76 121.60 1xkw s ALA 542 Ca -0.13 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 50.93 1xkw s ALA 542 Cb -0.06 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1xkw s ALA 542 CO 0.02 0.40 -0.04 -0.59 0.00 0.00 0.00 175.76 175.55 1xkw s PHE 543 N -0.34 0.51 -0.03 0.00 -0.12 -0.16 -1.83 117.98 116.01 1xkw s PHE 543 Ca 0.04 -0.92 -0.01 0.00 -0.05 0.00 0.00 56.93 56.00 1xkw s PHE 543 Cb -0.10 -0.36 0.03 0.00 -0.63 0.00 0.00 43.02 41.96 1xkw s PHE 543 CO 0.01 -0.30 0.05 0.50 -0.05 0.00 0.00 175.22 175.42 1xkw s ARG 544 N -3.29 -0.03 -0.15 1.99 3.52 0.05 -1.67 118.95 119.36 1xkw s ARG 544 Ca 0.02 0.25 0.02 0.00 -0.13 0.00 0.00 55.73 55.88 1xkw s ARG 544 Cb 0.03 -0.29 0.01 0.00 -1.56 0.00 0.00 34.95 33.14 1xkw s ARG 544 CO -0.07 -0.20 -0.20 0.42 -0.81 0.00 0.00 175.30 174.44 1xkw s ILE 545 N 1.30 2.18 -0.23 4.11 1.01 0.22 -0.53 121.20 129.27 1xkw s ILE 545 Ca -0.06 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.60 1xkw s ILE 545 Cb -0.13 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1xkw s ILE 545 CO -0.03 0.54 0.04 -1.81 0.00 0.00 0.00 174.94 173.67 1xkw s ASP 546 N 0.95 4.98 -0.32 3.58 1.01 -0.13 -1.13 116.67 125.62 1xkw s ASP 546 Ca -0.03 -0.21 -0.11 0.00 0.71 0.00 0.00 52.55 52.91 1xkw s ASP 546 Cb -0.15 -1.88 -0.02 0.00 1.01 0.00 0.00 42.92 41.89 1xkw s ASP 546 CO -0.04 0.01 0.20 -0.22 0.21 0.00 0.00 175.17 175.32 1xkw s LEU 547 N 1.34 4.28 0.11 1.23 2.96 0.43 -1.36 118.68 127.67 1xkw s LEU 547 Ca 0.05 -0.38 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 1xkw s LEU 547 Cb -0.15 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1xkw s LEU 547 CO 0.02 -0.19 0.06 -1.61 -1.32 0.00 0.00 176.35 173.31 1xkw s GLU 548 N 1.69 2.73 -1.52 1.98 0.41 0.11 -1.68 118.70 122.43 1xkw s GLU 548 Ca 0.06 -0.83 -0.04 0.00 -0.41 0.00 0.00 54.97 53.75 1xkw s GLU 548 Cb -0.17 -2.61 0.00 0.00 -1.78 0.00 0.00 34.13 29.58 1xkw s GLU 548 CO 0.09 0.53 0.55 0.09 -0.49 0.00 0.00 175.26 176.03 1xkw n ASN 549 N 0.23 -5.98 -4.77 -0.19 3.02 -0.31 -0.99 115.26 106.27 1xkw n ASN 549 Ca -0.09 -0.26 -0.40 0.00 -0.03 0.00 0.00 54.58 53.80 1xkw n ASN 549 Cb 0.53 -4.81 -0.02 0.00 -0.61 0.00 0.00 39.78 34.87 1xkw n ASN 549 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1xkw s ASN 550 N -2.68 6.66 0.34 6.41 2.47 -0.41 -4.41 114.94 123.33 1xkw s ASN 550 Ca 0.27 2.58 -0.27 0.00 0.42 0.00 0.00 52.86 55.85 1xkw s ASN 550 Cb -0.12 -2.64 -0.09 0.00 -1.45 0.00 0.00 41.25 36.95 1xkw s ASN 550 CO 0.34 -0.60 1.19 -2.84 -3.72 0.00 0.00 177.10 171.47 1xkw s PRO 551 N -1.96 4.31 0.07 0.43 0.02 -1.26 -1.34 135.00 135.28 1xkw s PRO 551 Ca 0.52 1.94 0.01 0.00 0.02 0.00 0.00 61.00 63.50 1xkw s PRO 551 Cb -0.37 -2.94 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 1xkw s PRO 551 CO 0.48 -0.13 -0.06 1.14 -0.33 0.00 0.00 177.00 178.10 1xkw s GLN 552 N -1.90 0.71 0.44 5.54 -2.07 -0.06 -4.85 119.66 117.46 1xkw s GLN 552 Ca 0.51 -1.14 -0.25 0.00 -1.82 0.00 0.00 55.36 52.66 1xkw s GLN 552 Cb -0.34 -0.16 -0.08 0.00 -1.09 0.00 0.00 33.01 31.34 1xkw s GLN 552 CO 0.44 -0.01 1.35 -1.21 -1.32 0.00 0.00 175.29 174.53 1xkw s GLU 553 N -3.17 3.76 -0.35 9.60 2.02 -1.26 -0.69 118.70 128.61 1xkw s GLU 553 Ca 0.04 2.24 -0.29 0.00 0.02 0.00 0.00 54.97 56.98 1xkw s GLU 553 Cb 0.01 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1xkw s GLU 553 CO -0.04 -0.69 1.38 0.34 0.02 0.00 0.00 175.26 176.27 1xkw s ASP 554 N -0.72 6.48 0.44 -0.19 -1.08 0.22 -4.68 116.67 117.14 1xkw s ASP 554 Ca 0.60 1.05 0.21 0.00 -0.52 0.00 0.00 52.55 53.89 1xkw s ASP 554 Cb -0.40 -2.54 1.01 0.00 -1.46 0.00 0.00 42.92 39.53 1xkw s ASP 554 CO 0.51 -1.27 1.90 1.55 0.52 0.00 0.00 175.17 178.37 1xkw h PRO 555 N 10.11 0.00 0.00 4.34 0.13 -1.91 -3.15 132.00 141.51 1xkw h PRO 555 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1xkw h PRO 555 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1xkw h PRO 555 CO 1.06 0.26 -1.55 -0.25 -0.23 0.00 0.00 178.00 177.28 1xkw n ASP 556 N -3.71 0.37 -3.77 1.44 8.00 -1.26 -4.70 116.55 112.91 1xkw n ASP 556 Ca -0.01 -0.15 -0.28 0.00 0.71 0.00 0.00 54.79 55.06 1xkw n ASP 556 Cb 0.37 1.45 -0.11 0.00 -0.02 0.00 0.00 41.12 42.80 1xkw n ASP 556 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1xkw n HIS 557 N -2.14 2.50 -2.32 1.24 8.25 -1.19 -5.10 115.22 116.46 1xkw n HIS 557 Ca -0.01 -4.12 -0.41 0.00 -0.26 0.00 0.00 57.72 52.92 1xkw n HIS 557 Cb 0.51 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 1xkw n HIS 557 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1xkw s PRO 558 N -1.27 4.50 0.00 -0.41 0.04 -1.26 -4.15 135.00 132.45 1xkw s PRO 558 Ca 0.27 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1xkw s PRO 558 Cb -0.01 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1xkw s PRO 558 CO -0.17 -0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1xkw n GLY 559 N 1.42 2.29 3.36 0.56 0.00 -1.26 -4.88 105.19 106.68 1xkw n GLY 559 Ca 0.01 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.59 1xkw n GLY 559 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xkw n PRO 560 N -0.76 -1.52 0.00 1.61 -0.02 -1.11 -4.75 135.00 128.45 1xkw n PRO 560 Ca 0.00 -0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.06 1xkw n PRO 560 Cb 0.00 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1xkw n PRO 560 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xkw n PRO 561 N -2.73 0.00 -2.12 0.52 -0.02 -1.26 -1.77 135.00 127.63 1xkw n PRO 561 Ca 0.03 0.23 -0.31 0.00 -2.02 0.00 0.00 63.50 61.43 1xkw n PRO 561 Cb 0.59 -0.41 0.02 0.00 -0.02 0.00 0.00 33.50 33.68 1xkw n PRO 561 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1xkw n ASN 562 N -1.21 5.82 -2.97 2.55 4.13 -1.26 -4.73 115.26 117.58 1xkw n ASN 562 Ca 0.00 -3.76 -0.16 0.00 1.68 0.00 0.00 54.58 52.34 1xkw n ASN 562 Cb 0.00 -0.65 -0.01 0.00 -1.54 0.00 0.00 39.78 37.58 1xkw n ASN 562 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1xkw n ASN 563 N -0.59 -1.42 -4.82 6.41 2.85 -0.73 -5.15 115.26 111.82 1xkw n ASN 563 Ca 0.47 -2.99 -0.30 0.00 -0.11 0.00 0.00 54.58 51.65 1xkw n ASN 563 Cb 0.61 0.61 0.07 0.00 1.24 0.00 0.00 39.78 42.32 1xkw n ASN 563 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1xkw s PRO 564 N -0.19 2.45 0.38 1.20 0.04 -1.26 -2.73 135.00 134.89 1xkw s PRO 564 Ca 0.33 0.70 -0.07 0.00 0.04 0.00 0.00 61.00 62.00 1xkw s PRO 564 Cb 0.19 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 1xkw s PRO 564 CO -0.18 -1.38 0.69 -0.06 0.04 0.00 0.00 177.00 176.12 1xkw s PHE 565 N -3.16 3.49 0.15 0.56 0.08 -1.26 -4.85 117.98 113.00 1xkw s PHE 565 Ca 0.60 0.83 0.07 0.00 0.12 0.00 0.00 56.93 58.54 1xkw s PHE 565 Cb -0.14 -2.27 -0.04 0.00 -0.57 0.00 0.00 43.02 40.00 1xkw s PHE 565 CO 0.54 -0.04 -0.16 0.71 -0.10 0.00 0.00 175.22 176.17 1xkw s TYR 566 N -2.35 1.59 0.19 0.36 1.51 -1.26 -0.61 117.35 116.79 1xkw s TYR 566 Ca 0.47 -0.53 -0.00 0.00 -1.01 0.00 0.00 57.07 56.00 1xkw s TYR 566 Cb -0.10 -0.81 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 1xkw s TYR 566 CO 0.34 0.24 0.09 0.96 -1.11 0.00 0.00 175.55 176.07 1xkw s ILE 567 N -2.22 0.21 0.00 2.71 -4.36 0.13 -4.75 121.20 112.92 1xkw s ILE 567 Ca 0.13 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 1xkw s ILE 567 Cb -0.05 -2.38 0.00 0.00 1.25 0.00 0.00 42.46 41.28 1xkw s ILE 567 CO 0.05 -0.16 0.00 -1.20 0.24 0.00 0.00 174.94 173.87 1xkw n SER 568 N -0.27 0.00 0.00 4.36 7.64 -1.26 -0.88 113.62 123.21 1xkw n SER 568 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1xkw n SER 568 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1xkw n SER 568 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xkw n GLY 569 N 5.00 3.19 3.68 0.23 0.00 -1.26 -4.58 105.19 111.45 1xkw n GLY 569 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1xkw n GLY 569 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xkw n GLY 570 N -2.00 -0.10 3.01 -0.02 0.00 -0.45 -4.59 105.19 101.05 1xkw n GLY 570 Ca 0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 1xkw n GLY 570 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xkw s LYS 571 N -3.96 0.17 0.09 1.61 2.20 0.05 -1.16 119.74 118.73 1xkw s LYS 571 Ca 0.73 0.46 0.05 0.00 -0.36 0.00 0.00 55.97 56.86 1xkw s LYS 571 Cb -0.30 -0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 35.86 1xkw s LYS 571 CO 0.51 -0.16 -0.13 0.08 -0.36 0.00 0.00 175.35 175.29 1xkw s VAL 572 N 1.17 1.10 -0.01 4.02 1.01 -0.67 -0.54 120.40 126.48 1xkw s VAL 572 Ca -0.09 -1.44 0.03 0.00 0.00 0.00 0.00 61.98 60.48 1xkw s VAL 572 Cb -0.10 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 1xkw s VAL 572 CO -0.07 -0.33 -0.08 -0.60 0.00 0.00 0.00 175.10 174.01 1xkw s ARG 573 N -2.11 0.73 -0.08 2.72 3.52 -0.07 -0.43 118.95 123.23 1xkw s ARG 573 Ca 0.01 -0.30 0.01 0.00 -0.13 0.00 0.00 55.73 55.33 1xkw s ARG 573 Cb -0.08 -0.71 0.02 0.00 -1.56 0.00 0.00 34.95 32.63 1xkw s ARG 573 CO 0.02 0.16 -0.09 0.45 -0.81 0.00 0.00 175.30 175.03 1xkw s SER 574 N -0.10 1.79 0.04 -2.12 0.15 -0.28 -0.72 113.70 112.45 1xkw s SER 574 Ca 0.02 -0.27 -0.02 0.00 0.70 0.00 0.00 55.95 56.38 1xkw s SER 574 Cb -0.04 -0.77 -0.03 0.00 -1.71 0.00 0.00 66.02 63.47 1xkw s SER 574 CO -0.00 -0.04 -0.00 0.00 1.20 0.00 0.00 173.24 174.40 1xkw s GLN 575 N 1.08 0.56 0.00 5.44 -2.07 -0.47 0.72 119.66 124.92 1xkw s GLN 575 Ca -0.07 -1.02 0.00 0.00 -1.82 0.00 0.00 55.36 52.45 1xkw s GLN 575 Cb -0.14 0.20 0.00 0.00 -1.09 0.00 0.00 33.01 31.97 1xkw s GLN 575 CO -0.01 -0.11 0.00 0.41 -1.32 0.00 0.00 175.29 174.26 1xkw n GLY 576 N 0.49 -0.55 3.39 2.60 0.00 -0.67 -0.80 105.19 109.66 1xkw n GLY 576 Ca -0.17 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 1xkw n GLY 576 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xkw s PHE 577 N -3.19 0.34 -0.15 1.61 -0.71 -0.75 -0.99 117.98 114.15 1xkw s PHE 577 Ca 0.00 -0.70 -0.12 0.00 -1.04 0.00 0.00 56.93 55.07 1xkw s PHE 577 Cb 0.00 0.02 0.04 0.00 -1.21 0.00 0.00 43.02 41.87 1xkw s PHE 577 CO 0.00 -0.78 0.38 -2.00 -1.34 0.00 0.00 175.22 171.48 1xkw s GLU 578 N -3.97 0.42 -0.05 1.99 2.12 0.90 -0.90 118.70 119.21 1xkw s GLU 578 Ca 0.17 0.61 0.06 0.00 0.36 0.00 0.00 54.97 56.16 1xkw s GLU 578 Cb 0.02 0.13 -0.02 0.00 0.26 0.00 0.00 34.13 34.52 1xkw s GLU 578 CO 0.01 -0.09 -0.21 -0.51 -0.54 0.00 0.00 175.26 173.92 1xkw s LEU 579 N 0.62 2.31 -0.09 2.70 1.43 -0.12 -1.20 118.68 124.33 1xkw s LEU 579 Ca -0.03 -0.39 -0.20 0.00 -1.03 0.00 0.00 54.13 52.48 1xkw s LEU 579 Cb -0.05 -1.43 0.04 0.00 0.03 0.00 0.00 46.19 44.78 1xkw s LEU 579 CO -0.04 0.29 0.47 -0.70 0.23 0.00 0.00 176.35 176.61 1xkw s GLU 580 N -0.44 0.73 -0.07 1.70 2.12 -0.73 -0.70 118.70 121.31 1xkw s GLU 580 Ca 0.05 0.26 -0.03 0.00 0.36 0.00 0.00 54.97 55.61 1xkw s GLU 580 Cb -0.12 0.34 0.04 0.00 0.26 0.00 0.00 34.13 34.65 1xkw s GLU 580 CO 0.01 -0.17 0.15 0.20 -0.54 0.00 0.00 175.26 174.91 1xkw s GLY 581 N -0.67 -0.04 -0.03 -1.50 0.00 -0.25 -0.44 107.32 104.39 1xkw s GLY 581 Ca -0.08 0.67 -0.07 0.00 0.00 0.00 0.00 44.72 45.25 1xkw s GLY 581 CO 0.04 0.97 0.16 -0.51 0.00 0.00 0.00 173.10 173.76 1xkw s THR 582 N 1.12 0.04 -1.32 0.90 -4.23 -0.46 -0.69 115.64 111.00 1xkw s THR 582 Ca -0.09 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1xkw s THR 582 Cb -0.11 -0.35 0.00 0.00 1.34 0.00 0.00 72.50 73.38 1xkw s THR 582 CO -0.06 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1xkw n GLY 583 N 2.15 0.37 3.23 3.99 0.00 -0.25 -1.23 105.19 113.45 1xkw n GLY 583 Ca -0.18 -1.87 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 1xkw n GLY 583 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xkw s TYR 584 N -1.29 3.03 0.38 1.61 1.51 0.79 -0.51 117.35 122.87 1xkw s TYR 584 Ca 0.00 -1.37 0.14 0.00 -1.01 0.00 0.00 57.07 54.82 1xkw s TYR 584 Cb 0.00 -2.08 0.78 0.00 -0.11 0.00 0.00 41.96 40.55 1xkw s TYR 584 CO 0.00 -0.68 1.85 -0.07 -1.11 0.00 0.00 175.55 175.54 1xkw h LEU 585 N 8.05 0.00 -7.93 -1.29 3.38 -0.82 -3.40 115.31 113.29 1xkw h LEU 585 Ca -0.35 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1xkw h LEU 585 Cb 1.12 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.78 1xkw h LEU 585 CO 0.59 0.34 -0.04 0.42 0.09 0.00 0.00 178.44 179.84 1xkw s THR 586 N -4.23 0.02 0.28 0.22 -4.23 -1.07 -4.97 115.64 101.67 1xkw s THR 586 Ca -0.03 -1.07 0.26 0.00 -1.18 0.00 0.00 61.69 59.66 1xkw s THR 586 Cb 0.14 -1.85 0.26 0.00 1.34 0.00 0.00 72.50 72.39 1xkw s THR 586 CO 0.72 -0.09 1.75 -0.65 -0.54 0.00 0.00 174.62 175.81 1xkw h PRO 587 N 2.24 0.00 0.00 3.99 0.11 -2.02 -2.33 132.00 133.99 1xkw h PRO 587 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1xkw h PRO 587 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xkw h PRO 587 CO 0.36 0.00 -0.00 0.66 -0.21 0.00 0.00 178.00 178.81 1xkw n TYR 588 N -2.53 0.00 -3.83 0.65 4.01 -1.26 -4.96 117.16 109.24 1xkw n TYR 588 Ca -0.02 -0.41 -0.29 0.00 -0.16 0.00 0.00 57.90 57.02 1xkw n TYR 588 Cb 0.23 -0.04 -0.16 0.00 -0.31 0.00 0.00 39.34 39.06 1xkw n TYR 588 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1xkw s TRP 589 N -0.84 1.72 0.25 -0.72 -0.00 -0.88 -1.68 118.94 116.80 1xkw s TRP 589 Ca 0.00 -1.34 0.06 0.00 -0.00 0.00 0.00 56.10 54.82 1xkw s TRP 589 Cb 0.00 -1.34 -0.03 0.00 -0.00 0.00 0.00 33.47 32.10 1xkw s TRP 589 CO 0.00 -0.70 0.29 -1.54 -0.00 0.00 0.00 176.95 174.99 1xkw s SER 590 N 1.62 5.88 -0.11 5.86 1.04 -0.48 -0.10 113.70 127.42 1xkw s SER 590 Ca -0.02 -0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.17 1xkw s SER 590 Cb -0.18 -1.57 0.03 0.00 0.10 0.00 0.00 66.02 64.40 1xkw s SER 590 CO -0.08 -0.09 0.31 -0.22 0.98 0.00 0.00 173.24 174.15 1xkw s LEU 591 N -3.93 0.81 -0.22 2.42 2.96 0.33 -2.47 118.68 118.59 1xkw s LEU 591 Ca 0.34 0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 54.78 1xkw s LEU 591 Cb -0.08 1.10 0.08 0.00 0.50 0.00 0.00 46.19 47.78 1xkw s LEU 591 CO 0.27 -0.15 0.10 -0.44 -1.32 0.00 0.00 176.35 174.81 1xkw s SER 592 N -0.01 2.85 -0.01 3.68 0.01 0.49 -1.10 113.70 119.62 1xkw s SER 592 Ca -0.02 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.35 1xkw s SER 592 Cb -0.03 -0.31 0.01 0.00 0.21 0.00 0.00 66.02 65.90 1xkw s SER 592 CO 0.01 -0.38 0.00 0.00 0.41 0.00 0.00 173.24 173.28 1xkw s ALA 593 N 2.10 0.07 -0.09 1.44 0.00 0.13 -0.75 121.76 124.66 1xkw s ALA 593 Ca 0.05 0.06 -0.06 0.00 0.00 0.00 0.00 51.96 52.00 1xkw s ALA 593 Cb -0.16 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 22.91 1xkw s ALA 593 CO -0.20 -0.02 0.22 0.20 0.00 0.00 0.00 175.76 175.97 1xkw s GLY 594 N 0.28 -0.15 -0.10 0.00 0.00 0.83 -1.09 107.32 107.08 1xkw s GLY 594 Ca -0.02 0.76 0.02 0.00 0.00 0.00 0.00 44.72 45.48 1xkw s GLY 594 CO -0.01 0.83 -0.16 -0.47 0.00 0.00 0.00 173.10 173.29 1xkw s TYR 595 N 0.60 2.01 -0.10 1.90 5.04 0.12 -0.66 117.35 126.26 1xkw s TYR 595 Ca -0.04 -0.91 0.03 0.00 -2.44 0.00 0.00 57.07 53.70 1xkw s TYR 595 Cb -0.05 -1.43 0.01 0.00 0.35 0.00 0.00 41.96 40.83 1xkw s TYR 595 CO -0.03 -0.45 -0.18 0.99 -1.34 0.00 0.00 175.55 174.53 1xkw s THR 596 N 0.87 1.67 -0.23 4.34 2.01 -0.07 -0.94 115.64 123.29 1xkw s THR 596 Ca -0.09 -0.77 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 1xkw s THR 596 Cb -0.15 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 1xkw s THR 596 CO 0.00 0.47 -0.00 -0.47 -0.69 0.00 0.00 174.62 173.93 1xkw s TYR 597 N 0.68 3.00 -0.08 4.92 5.04 -0.08 -1.71 117.35 129.13 1xkw s TYR 597 Ca -0.12 -0.75 0.01 0.00 -2.44 0.00 0.00 57.07 53.77 1xkw s TYR 597 Cb -0.16 -2.15 0.02 0.00 0.35 0.00 0.00 41.96 40.01 1xkw s TYR 597 CO 0.03 -0.48 -0.08 0.99 -1.34 0.00 0.00 175.55 174.67 1xkw s THR 598 N 1.53 0.92 -0.15 4.34 2.01 -0.42 -1.81 115.64 122.06 1xkw s THR 598 Ca 0.06 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.78 1xkw s THR 598 Cb -0.15 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.47 1xkw s THR 598 CO -0.01 0.33 -0.18 -0.55 -0.69 0.00 0.00 174.62 173.52 1xkw s SER 599 N 1.19 2.92 0.07 3.53 0.15 0.02 -4.30 113.70 117.29 1xkw s SER 599 Ca -0.05 -0.57 0.09 0.00 0.70 0.00 0.00 55.95 56.12 1xkw s SER 599 Cb -0.14 -1.34 -0.03 0.00 -1.71 0.00 0.00 66.02 62.79 1xkw s SER 599 CO -0.02 0.01 -0.25 0.42 1.20 0.00 0.00 173.24 174.60 1xkw s THR 600 N 1.16 2.30 0.04 6.45 -4.23 -1.26 -1.36 115.64 118.74 1xkw s THR 600 Ca 0.00 -1.48 -0.20 0.00 -1.18 0.00 0.00 61.69 58.83 1xkw s THR 600 Cb -0.14 -1.95 0.04 0.00 1.34 0.00 0.00 72.50 71.79 1xkw s THR 600 CO -0.08 0.27 0.46 -1.83 -0.54 0.00 0.00 174.62 172.90 1xkw s GLU 601 N -1.56 0.95 0.22 3.99 -1.05 0.10 -2.49 118.70 118.86 1xkw s GLU 601 Ca 0.13 -0.27 -0.26 0.00 -0.15 0.00 0.00 54.97 54.42 1xkw s GLU 601 Cb -0.10 0.43 -0.09 0.00 -0.44 0.00 0.00 34.13 33.93 1xkw s GLU 601 CO 0.04 -0.33 0.85 0.71 0.95 0.00 0.00 175.26 177.48 1xkw s TYR 602 N -2.31 3.86 -0.13 4.83 2.02 0.67 -0.89 117.35 125.39 1xkw s TYR 602 Ca -0.06 1.72 -0.01 0.00 -0.37 0.00 0.00 57.07 58.34 1xkw s TYR 602 Cb -0.01 -2.84 -0.08 0.00 -0.40 0.00 0.00 41.96 38.63 1xkw s TYR 602 CO -0.01 0.42 -0.13 1.28 -1.57 0.00 0.00 175.55 175.54 1xkw n LEU 603 N 1.26 2.37 -3.59 -1.29 4.77 0.29 -0.69 117.00 120.13 1xkw n LEU 603 Ca -0.03 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.74 1xkw n LEU 603 Cb 0.49 -0.44 -0.16 0.00 -2.33 0.00 0.00 43.42 40.98 1xkw n LEU 603 CO 0.47 0.59 -0.28 -0.75 -1.33 0.00 0.00 177.39 176.08 1xkw s LYS 604 N -2.26 0.08 -0.22 3.23 2.20 -0.55 -4.49 119.74 117.74 1xkw s LYS 604 Ca -0.18 0.17 -0.19 0.00 -0.36 0.00 0.00 55.97 55.41 1xkw s LYS 604 Cb 0.05 -1.22 0.06 0.00 -1.51 0.00 0.00 37.83 35.21 1xkw s LYS 604 CO 0.28 -0.56 0.58 0.34 -0.36 0.00 0.00 175.35 175.62 1xkw s ASP 605 N 2.23 -0.62 0.41 1.43 2.15 -1.26 -0.77 116.67 120.23 1xkw s ASP 605 Ca 0.04 1.18 0.12 0.00 0.43 0.00 0.00 52.55 54.32 1xkw s ASP 605 Cb -0.15 1.18 0.87 0.00 -0.30 0.00 0.00 42.92 44.52 1xkw s ASP 605 CO -0.09 -0.20 1.93 0.77 -0.17 0.00 0.00 175.17 177.41 1xkw h SER 606 N 5.44 0.09 -0.21 -0.34 4.64 -1.95 -3.10 113.55 118.12 1xkw h SER 606 Ca -0.29 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1xkw h SER 606 Cb 1.17 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1xkw h SER 606 CO 0.15 0.29 0.00 0.00 -0.87 0.00 0.00 176.83 176.40 1xkw n GLN 607 N -4.27 1.83 -3.75 4.77 1.13 -1.26 -4.96 117.38 110.86 1xkw n GLN 607 Ca -0.02 -1.73 -0.19 0.00 -1.94 0.00 0.00 57.00 53.12 1xkw n GLN 607 Cb 0.28 -1.30 -0.17 0.00 0.11 0.00 0.00 30.24 29.16 1xkw n GLN 607 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1xkw s ASN 608 N -1.09 0.83 0.57 1.08 0.01 -1.17 -5.13 114.94 110.04 1xkw s ASN 608 Ca 0.22 0.03 -0.21 0.00 -0.71 0.00 0.00 52.86 52.20 1xkw s ASN 608 Cb 0.13 -0.18 -0.04 0.00 0.41 0.00 0.00 41.25 41.57 1xkw s ASN 608 CO 0.19 -0.19 1.26 0.47 -1.51 0.00 0.00 177.10 177.31 1xkw n ASP 609 N 4.82 2.14 -4.69 -1.22 8.00 -1.26 -4.12 116.55 120.22 1xkw n ASP 609 Ca -0.13 0.92 -0.40 0.00 0.71 0.00 0.00 54.79 55.89 1xkw n ASP 609 Cb 0.50 -1.53 0.02 0.00 -0.02 0.00 0.00 41.12 40.10 1xkw n ASP 609 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1xkw n SER 610 N -1.06 2.25 0.00 -2.24 2.88 -1.26 -1.78 113.62 112.41 1xkw n SER 610 Ca 0.12 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1xkw n SER 610 Cb 0.45 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 1xkw n SER 610 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xkw n GLY 611 N 0.89 2.16 3.76 0.46 0.00 0.14 -4.97 105.19 107.62 1xkw n GLY 611 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1xkw n GLY 611 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xkw s THR 612 N -2.31 2.53 0.22 2.61 2.01 -0.73 -4.74 115.64 115.23 1xkw s THR 612 Ca 0.00 0.49 -0.30 0.00 0.31 0.00 0.00 61.69 62.19 1xkw s THR 612 Cb 0.00 -3.32 -0.10 0.00 0.01 0.00 0.00 72.50 69.10 1xkw s THR 612 CO 0.00 0.10 1.47 -0.60 -0.69 0.00 0.00 174.62 174.90 1xkw s ARG 613 N -1.26 4.26 -0.08 4.92 3.52 -1.26 -0.24 118.95 128.81 1xkw s ARG 613 Ca 0.54 2.30 -0.02 0.00 -0.13 0.00 0.00 55.73 58.42 1xkw s ARG 613 Cb -0.42 -3.13 -0.01 0.00 -1.56 0.00 0.00 34.95 29.83 1xkw s ARG 613 CO 0.51 -0.46 -0.05 -0.92 -0.81 0.00 0.00 175.30 173.57 1xkw h TYR 614 N 5.51 0.00 -3.69 5.12 3.20 -1.76 -3.43 116.97 121.93 1xkw h TYR 614 Ca -0.45 0.00 -0.78 0.00 3.14 0.00 0.00 58.73 60.64 1xkw h TYR 614 Cb 1.21 0.00 -0.25 0.00 1.54 0.00 0.00 36.73 39.23 1xkw h TYR 614 CO 0.61 0.00 0.11 0.45 -1.64 0.00 0.00 178.16 177.70 1xkw s SER 615 N -4.86 6.71 0.42 -2.11 0.15 -1.26 -4.89 113.70 107.86 1xkw s SER 615 Ca -0.04 -2.58 0.17 0.00 0.70 0.00 0.00 55.95 54.20 1xkw s SER 615 Cb 0.01 -2.22 0.92 0.00 -1.71 0.00 0.00 66.02 63.01 1xkw s SER 615 CO 0.06 -0.63 1.90 0.71 1.20 0.00 0.00 173.24 176.48 1xkw h THR 616 N 4.93 1.06 -0.00 6.45 1.35 -1.83 -2.65 112.91 122.22 1xkw h THR 616 Ca 0.07 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1xkw h THR 616 Cb 1.04 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1xkw h THR 616 CO 0.80 0.28 -0.04 2.22 -0.25 0.00 0.00 175.52 178.52 1xkw n PHE 617 N -3.99 0.00 -3.22 4.73 1.16 -1.09 -1.92 117.46 113.12 1xkw n PHE 617 Ca -0.02 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.15 1xkw n PHE 617 Cb 0.35 -0.27 -0.08 0.00 -1.61 0.00 0.00 39.48 37.88 1xkw n PHE 617 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1xkw s THR 618 N -2.57 5.01 0.52 1.97 2.01 -1.00 -4.84 115.64 116.74 1xkw s THR 618 Ca 0.28 0.50 -0.22 0.00 0.31 0.00 0.00 61.69 62.56 1xkw s THR 618 Cb 0.20 -3.95 -0.06 0.00 0.01 0.00 0.00 72.50 68.70 1xkw s THR 618 CO 0.47 -0.17 1.25 -2.16 -0.69 0.00 0.00 174.62 173.33 1xkw s PRO 619 N 2.43 3.34 0.34 4.92 0.04 -1.26 -4.92 135.00 139.89 1xkw s PRO 619 Ca 0.20 1.98 0.08 0.00 0.04 0.00 0.00 61.00 63.30 1xkw s PRO 619 Cb -0.15 -2.25 0.61 0.00 0.04 0.00 0.00 34.50 32.75 1xkw s PRO 619 CO 0.13 -0.95 1.79 0.00 0.04 0.00 0.00 177.00 178.01 1xkw h ARG 620 N 1.57 0.22 -5.61 4.56 3.08 -1.75 -3.43 114.38 113.01 1xkw h ARG 620 Ca -0.50 -0.08 -0.68 0.00 0.07 0.00 0.00 59.98 58.79 1xkw h ARG 620 Cb 1.28 -0.01 -0.32 0.00 0.08 0.00 0.00 29.97 30.99 1xkw h ARG 620 CO 0.58 0.50 -0.88 -1.01 -1.07 0.00 0.00 179.97 178.09 1xkw s HIS 621 N -4.37 2.48 -0.03 3.04 3.76 -1.26 -1.30 115.29 117.61 1xkw s HIS 621 Ca -0.05 -0.90 -0.01 0.00 -0.15 0.00 0.00 55.06 53.95 1xkw s HIS 621 Cb 0.14 -1.65 0.03 0.00 1.11 0.00 0.00 32.58 32.21 1xkw s HIS 621 CO 0.75 -0.33 0.04 -1.17 -0.85 0.00 0.00 174.74 173.19 1xkw s LEU 622 N 0.13 0.57 -0.08 0.89 2.96 -0.69 -1.96 118.68 120.50 1xkw s LEU 622 Ca -0.12 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1xkw s LEU 622 Cb -0.16 -0.11 -0.00 0.00 0.50 0.00 0.00 46.19 46.41 1xkw s LEU 622 CO 0.07 -0.19 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.47 1xkw s LEU 623 N 1.67 2.00 -0.11 -0.68 2.96 0.63 -0.89 118.68 124.25 1xkw s LEU 623 Ca -0.01 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 1xkw s LEU 623 Cb -0.12 -1.27 0.02 0.00 0.50 0.00 0.00 46.19 45.32 1xkw s LEU 623 CO -0.03 0.16 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.92 1xkw s ARG 624 N 0.25 1.83 -0.10 1.98 1.81 0.16 -1.92 118.95 122.97 1xkw s ARG 624 Ca -0.14 -0.39 -0.08 0.00 -1.72 0.00 0.00 55.73 53.40 1xkw s ARG 624 Cb -0.16 -1.73 0.03 0.00 -0.45 0.00 0.00 34.95 32.65 1xkw s ARG 624 CO 0.06 -0.19 0.26 -1.17 -0.68 0.00 0.00 175.30 173.59 1xkw s LEU 625 N 1.41 0.77 -0.13 2.53 0.20 -0.34 -0.12 118.68 122.99 1xkw s LEU 625 Ca 0.01 0.54 -0.09 0.00 0.69 0.00 0.00 54.13 55.28 1xkw s LEU 625 Cb -0.13 0.87 0.05 0.00 -0.43 0.00 0.00 46.19 46.54 1xkw s LEU 625 CO -0.06 -0.12 0.33 0.86 -0.29 0.00 0.00 176.35 177.07 1xkw s TRP 626 N 0.54 -0.43 -0.03 5.38 -0.11 0.07 -0.59 118.94 123.77 1xkw s TRP 626 Ca -0.03 0.99 -0.04 0.00 1.22 0.00 0.00 56.10 58.24 1xkw s TRP 626 Cb -0.05 0.15 0.01 0.00 -1.50 0.00 0.00 33.47 32.08 1xkw s TRP 626 CO -0.03 -0.25 0.10 0.45 -4.62 0.00 0.00 176.95 172.60 1xkw s SER 627 N 0.94 -0.05 -0.02 5.86 0.15 -0.35 -0.38 113.70 119.86 1xkw s SER 627 Ca -0.06 0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.67 1xkw s SER 627 Cb -0.07 0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.45 1xkw s SER 627 CO -0.07 -0.12 -0.05 0.21 1.20 0.00 0.00 173.24 174.41 1xkw s ASN 628 N -0.33 0.78 -0.07 5.45 2.47 -1.03 -1.11 114.94 121.10 1xkw s ASN 628 Ca -0.04 -0.11 0.01 0.00 0.42 0.00 0.00 52.86 53.14 1xkw s ASN 628 Cb -0.03 -0.20 0.02 0.00 -1.45 0.00 0.00 41.25 39.59 1xkw s ASN 628 CO 0.00 0.03 -0.08 -0.47 -3.72 0.00 0.00 177.10 172.86 1xkw s TYR 629 N 0.24 1.18 -0.32 0.43 5.04 0.15 -1.38 117.35 122.69 1xkw s TYR 629 Ca -0.03 -0.45 -0.19 0.00 -2.44 0.00 0.00 57.07 53.97 1xkw s TYR 629 Cb -0.07 -0.96 -0.01 0.00 0.35 0.00 0.00 41.96 41.27 1xkw s TYR 629 CO -0.00 -0.31 0.54 -0.51 -1.34 0.00 0.00 175.55 173.93 1xkw s ASP 630 N 1.08 6.39 0.52 4.32 1.01 -0.68 -0.76 116.67 128.55 1xkw s ASP 630 Ca -0.08 0.23 -0.21 0.00 0.71 0.00 0.00 52.55 53.21 1xkw s ASP 630 Cb -0.14 -2.29 -0.06 0.00 1.01 0.00 0.00 42.92 41.44 1xkw s ASP 630 CO -0.01 -0.43 1.15 -0.76 0.21 0.00 0.00 175.17 175.33 1xkw s LEU 631 N 2.44 3.84 0.05 1.23 1.43 0.57 -4.92 118.68 123.33 1xkw s LEU 631 Ca 0.21 2.25 -0.23 0.00 -1.03 0.00 0.00 54.13 55.32 1xkw s LEU 631 Cb -0.15 -4.46 -0.12 0.00 0.03 0.00 0.00 46.19 41.50 1xkw s LEU 631 CO 0.12 -1.14 1.36 -0.65 0.23 0.00 0.00 176.35 176.27 1xkw h PRO 632 N 1.49 -0.66 -4.74 1.29 0.11 -1.95 -3.32 132.00 124.21 1xkw h PRO 632 Ca -0.50 0.05 -0.44 0.00 0.11 0.00 0.00 66.00 65.22 1xkw h PRO 632 Cb 1.26 0.15 0.19 0.00 0.11 0.00 0.00 31.00 32.71 1xkw h PRO 632 CO 0.58 -0.44 -1.46 0.91 -0.21 0.00 0.00 178.00 177.37 1xkw n TRP 633 N -4.37 -4.10 -4.90 0.65 8.01 -1.26 -3.09 117.44 108.37 1xkw n TRP 633 Ca -0.08 -0.02 0.00 0.00 -1.31 0.00 0.00 57.50 56.09 1xkw n TRP 633 Cb 0.31 -1.14 0.00 0.00 -2.01 0.00 0.00 31.31 28.47 1xkw n TRP 633 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 1xkw n GLN 634 N 1.96 0.00 -2.75 -0.99 1.13 -1.26 -2.33 117.38 113.13 1xkw n GLN 634 Ca -0.01 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.75 1xkw n GLN 634 Cb 0.44 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.77 1xkw n GLN 634 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xkw n ASP 635 N -0.67 5.12 -3.39 1.08 8.00 -1.26 -4.75 116.55 120.68 1xkw n ASP 635 Ca 0.00 -3.70 -0.24 0.00 0.71 0.00 0.00 54.79 51.55 1xkw n ASP 635 Cb 0.00 -0.65 0.05 0.00 -0.02 0.00 0.00 41.12 40.49 1xkw n ASP 635 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xkw n ARG 636 N -0.29 -5.93 0.02 -1.24 5.12 -0.99 -4.89 116.66 108.47 1xkw n ARG 636 Ca 0.36 0.80 -0.09 0.00 -1.93 0.00 0.00 57.85 56.99 1xkw n ARG 636 Cb 0.42 -5.72 0.07 0.00 -1.16 0.00 0.00 32.46 26.07 1xkw n ARG 636 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1xkw h ARG 637 N -1.91 0.50 -5.78 5.56 2.43 -1.75 -3.45 114.38 109.98 1xkw h ARG 637 Ca -0.54 -0.32 -0.64 0.00 -0.81 0.00 0.00 59.98 57.66 1xkw h ARG 637 Cb 1.36 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.90 1xkw h ARG 637 CO 0.58 0.92 -0.49 -1.58 -1.51 0.00 0.00 179.97 177.89 1xkw s TRP 638 N -3.96 3.56 0.02 2.20 0.52 -1.26 -1.06 118.94 118.95 1xkw s TRP 638 Ca -0.07 0.38 -0.01 0.00 0.02 0.00 0.00 56.10 56.42 1xkw s TRP 638 Cb 0.11 -1.85 -0.02 0.00 -1.15 0.00 0.00 33.47 30.57 1xkw s TRP 638 CO 0.83 0.66 0.00 -1.54 0.02 0.00 0.00 176.95 176.93 1xkw s SER 639 N -1.81 0.22 -0.01 2.95 1.04 -0.82 -0.31 113.70 114.96 1xkw s SER 639 Ca 0.26 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 56.21 1xkw s SER 639 Cb -0.13 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1xkw s SER 639 CO 0.17 -0.34 -0.05 0.54 0.98 0.00 0.00 173.24 174.54 1xkw s VAL 640 N -1.68 0.38 0.08 5.02 0.11 0.06 -0.84 120.40 123.53 1xkw s VAL 640 Ca -0.14 -0.18 0.03 0.00 -2.93 0.00 0.00 61.98 58.77 1xkw s VAL 640 Cb -0.08 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.39 1xkw s VAL 640 CO -0.01 0.12 -0.09 -0.83 -3.33 0.00 0.00 175.10 170.95 1xkw s GLY 641 N 0.06 0.74 0.01 6.54 0.00 0.51 0.33 107.32 115.50 1xkw s GLY 641 Ca -0.00 -1.06 -0.23 0.00 0.00 0.00 0.00 44.72 43.43 1xkw s GLY 641 CO -0.00 -1.12 0.52 -0.32 0.00 0.00 0.00 173.10 172.17 1xkw s GLY 642 N -2.18 -0.41 0.26 0.20 0.00 -0.26 -0.47 107.32 104.46 1xkw s GLY 642 Ca 0.01 0.72 -0.14 0.00 0.00 0.00 0.00 44.72 45.31 1xkw s GLY 642 CO -0.00 0.42 0.53 -0.32 0.00 0.00 0.00 173.10 173.73 1xkw s GLY 643 N -1.67 0.49 -0.02 0.20 0.00 0.72 -1.20 107.32 105.84 1xkw s GLY 643 Ca -0.08 -0.83 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 1xkw s GLY 643 CO 0.02 -0.55 0.04 -2.27 0.00 0.00 0.00 173.10 170.33 1xkw s LEU 644 N -3.02 1.61 -0.15 0.66 2.96 0.24 -1.55 118.68 119.43 1xkw s LEU 644 Ca 0.21 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.19 1xkw s LEU 644 Cb -0.02 0.07 0.02 0.00 0.50 0.00 0.00 46.19 46.76 1xkw s LEU 644 CO 0.10 -0.05 -0.14 -1.10 -1.32 0.00 0.00 176.35 173.84 1xkw s GLN 645 N 0.36 2.29 0.03 1.98 -0.21 -0.71 -1.20 119.66 122.20 1xkw s GLN 645 Ca -0.03 -0.56 -0.05 0.00 0.02 0.00 0.00 55.36 54.74 1xkw s GLN 645 Cb -0.04 -2.10 -0.01 0.00 1.00 0.00 0.00 33.01 31.85 1xkw s GLN 645 CO -0.01 -0.24 0.09 0.00 -2.12 0.00 0.00 175.29 173.01 1xkw s ALA 646 N 1.49 -0.07 -0.03 6.09 0.00 -0.81 0.85 121.76 129.29 1xkw s ALA 646 Ca 0.05 -0.51 -0.29 0.00 0.00 0.00 0.00 51.96 51.21 1xkw s ALA 646 Cb -0.13 0.22 0.10 0.00 0.00 0.00 0.00 23.12 23.31 1xkw s ALA 646 CO -0.11 -0.29 0.87 1.14 0.00 0.00 0.00 175.76 177.38 1xkw s GLN 647 N -2.35 0.83 0.67 0.00 -2.07 -0.57 -0.27 119.66 115.89 1xkw s GLN 647 Ca -0.07 -0.19 -0.11 0.00 -1.82 0.00 0.00 55.36 53.17 1xkw s GLN 647 Cb -0.03 0.38 0.16 0.00 -1.09 0.00 0.00 33.01 32.43 1xkw s GLN 647 CO -0.03 -0.34 0.84 -1.13 -1.32 0.00 0.00 175.29 173.31 1xkw n SER 648 N 0.01 -0.25 -4.70 12.60 3.41 -0.83 -1.31 113.62 122.56 1xkw n SER 648 Ca -0.10 -1.24 -0.29 0.00 -0.26 0.00 0.00 58.87 56.97 1xkw n SER 648 Cb 0.61 -0.66 0.16 0.00 -0.26 0.00 0.00 64.21 64.06 1xkw n SER 648 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1xkw s ASP 649 N -4.03 2.88 0.20 4.04 -4.77 -1.26 -4.32 116.67 109.41 1xkw s ASP 649 Ca 0.48 1.23 -0.18 0.00 -3.30 0.00 0.00 52.55 50.79 1xkw s ASP 649 Cb -0.02 -1.90 0.03 0.00 -1.09 0.00 0.00 42.92 39.94 1xkw s ASP 649 CO 0.35 -2.97 0.53 -0.72 0.70 0.00 0.00 175.17 173.05 1xkw s TYR 650 N -2.99 -0.12 0.24 2.11 -0.85 -0.95 -4.33 117.35 110.46 1xkw s TYR 650 Ca 0.65 -0.22 -0.12 0.00 -0.52 0.00 0.00 57.07 56.85 1xkw s TYR 650 Cb -0.18 0.40 -0.01 0.00 0.38 0.00 0.00 41.96 42.55 1xkw s TYR 650 CO 0.57 -0.92 0.46 -1.54 -1.52 0.00 0.00 175.55 172.59 1xkw s SER 651 N -2.87 -0.08 -0.03 -0.18 1.04 -0.81 -1.84 113.70 108.93 1xkw s SER 651 Ca 0.09 -0.93 -0.02 0.00 0.48 0.00 0.00 55.95 55.57 1xkw s SER 651 Cb -0.01 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.70 1xkw s SER 651 CO -0.03 -1.12 0.07 -0.69 0.98 0.00 0.00 173.24 172.46 1xkw s VAL 652 N -4.02 -0.03 -0.16 5.02 1.01 -0.40 -2.68 120.40 119.14 1xkw s VAL 652 Ca 0.23 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 1xkw s VAL 652 Cb -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 1xkw s VAL 652 CO 0.08 0.05 -0.07 -1.81 0.00 0.00 0.00 175.10 173.35 1xkw s ASP 653 N 0.66 4.40 -0.14 3.32 1.01 -1.26 -0.99 116.67 123.68 1xkw s ASP 653 Ca -0.05 -0.26 -0.01 0.00 0.71 0.00 0.00 52.55 52.94 1xkw s ASP 653 Cb -0.07 -1.71 0.04 0.00 1.01 0.00 0.00 42.92 42.19 1xkw s ASP 653 CO -0.02 0.13 -0.02 -0.47 0.21 0.00 0.00 175.17 174.99 1xkw s TYR 654 N 0.59 1.27 -1.52 4.23 5.04 0.10 -4.85 117.35 122.22 1xkw s TYR 654 Ca -0.05 -0.76 -0.01 0.00 -2.44 0.00 0.00 57.07 53.82 1xkw s TYR 654 Cb -0.15 -1.12 0.01 0.00 0.35 0.00 0.00 41.96 41.05 1xkw s TYR 654 CO 0.03 -0.53 0.13 0.54 -1.34 0.00 0.00 175.55 174.37 1xkw n ARG 655 N 4.99 -1.58 -0.15 4.97 1.74 -1.26 -0.21 116.66 125.17 1xkw n ARG 655 Ca -0.10 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1xkw n ARG 655 Cb 0.48 -3.86 0.00 0.00 -1.02 0.00 0.00 32.46 28.06 1xkw n ARG 655 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xkw n GLY 656 N -2.39 1.52 3.58 -0.13 0.00 -1.26 -5.03 105.19 101.47 1xkw n GLY 656 Ca -0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1xkw n GLY 656 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xkw s VAL 657 N -2.73 4.52 -0.04 1.61 1.01 0.71 -5.09 120.40 120.38 1xkw s VAL 657 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1xkw s VAL 657 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1xkw s VAL 657 CO 0.00 0.45 0.05 -0.94 0.00 0.00 0.00 175.10 174.66 1xkw s SER 658 N 0.56 5.56 -0.02 3.32 1.04 -1.26 0.01 113.70 122.92 1xkw s SER 658 Ca 0.02 0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.65 1xkw s SER 658 Cb -0.13 -1.60 -0.00 0.00 0.10 0.00 0.00 66.02 64.38 1xkw s SER 658 CO 0.01 0.32 -0.11 -0.04 0.98 0.00 0.00 173.24 174.41 1xkw s MET 659 N -1.36 1.04 0.11 4.02 -1.94 -0.16 -4.53 119.30 116.48 1xkw s MET 659 Ca 0.19 -0.38 0.05 0.00 -1.71 0.00 0.00 55.69 53.84 1xkw s MET 659 Cb -0.12 -0.97 -0.04 0.00 2.01 0.00 0.00 34.83 35.71 1xkw s MET 659 CO 0.09 0.18 -0.12 0.50 -0.01 0.00 0.00 175.02 175.65 1xkw s ARG 660 N 0.01 0.93 -0.12 2.03 3.52 -1.26 -1.28 118.95 122.78 1xkw s ARG 660 Ca -0.00 -1.18 -0.01 0.00 -0.13 0.00 0.00 55.73 54.40 1xkw s ARG 660 Cb -0.07 -0.75 0.03 0.00 -1.56 0.00 0.00 34.95 32.60 1xkw s ARG 660 CO 0.00 0.14 -0.03 -1.14 -0.81 0.00 0.00 175.30 173.46 1xkw s GLN 661 N -2.63 1.04 0.96 5.12 2.00 -0.77 -5.00 119.66 120.37 1xkw s GLN 661 Ca 0.06 -0.18 -0.12 0.00 -2.00 0.00 0.00 55.36 53.13 1xkw s GLN 661 Cb -0.05 -1.48 0.17 0.00 0.80 0.00 0.00 33.01 32.45 1xkw s GLN 661 CO 0.02 -0.36 1.09 0.20 -0.50 0.00 0.00 175.29 175.74 1xkw s GLY 662 N 1.82 1.60 0.85 2.59 0.00 -1.26 -2.24 107.32 110.68 1xkw s GLY 662 Ca 0.04 -0.11 -0.10 0.00 0.00 0.00 0.00 44.72 44.54 1xkw s GLY 662 CO -0.07 0.43 1.12 -0.32 0.00 0.00 0.00 173.10 174.26 1xkw s GLY 663 N -3.27 1.68 0.16 0.20 0.00 -1.26 -4.61 107.32 100.22 1xkw s GLY 663 Ca 0.65 0.40 -0.25 0.00 0.00 0.00 0.00 44.72 45.53 1xkw s GLY 663 CO 0.58 0.80 0.90 -2.52 0.00 0.00 0.00 173.10 172.85 1xkw s TYR 664 N -2.78 -0.17 -0.01 1.90 -0.85 -0.43 -4.92 117.35 110.10 1xkw s TYR 664 Ca 0.64 -0.14 0.01 0.00 -0.52 0.00 0.00 57.07 57.06 1xkw s TYR 664 Cb -0.20 0.64 0.00 0.00 0.38 0.00 0.00 41.96 42.78 1xkw s TYR 664 CO 0.57 -0.88 -0.03 0.00 -1.52 0.00 0.00 175.55 173.69 1xkw s ALA 665 N -3.41 0.27 0.03 9.51 0.00 -1.26 -1.52 121.76 125.39 1xkw s ALA 665 Ca 0.11 -0.09 0.08 0.00 0.00 0.00 0.00 51.96 52.06 1xkw s ALA 665 Cb -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1xkw s ALA 665 CO 0.02 0.04 -0.22 -0.51 0.00 0.00 0.00 175.76 175.09 1xkw s LEU 666 N 0.10 2.37 -0.10 0.00 1.43 0.25 -4.93 118.68 117.80 1xkw s LEU 666 Ca -0.01 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 1xkw s LEU 666 Cb -0.03 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 1xkw s LEU 666 CO -0.00 0.27 -0.18 -0.69 0.23 0.00 0.00 176.35 175.98 1xkw s VAL 667 N -0.83 2.66 0.14 -1.59 1.01 -1.26 -1.74 120.40 118.78 1xkw s VAL 667 Ca 0.13 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.39 1xkw s VAL 667 Cb -0.10 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1xkw s VAL 667 CO 0.03 0.55 -0.25 0.20 0.00 0.00 0.00 175.10 175.63 1xkw s ASN 668 N 0.14 3.15 0.09 3.32 0.01 -0.60 -0.03 114.94 121.03 1xkw s ASN 668 Ca -0.09 -0.76 -0.09 0.00 -0.71 0.00 0.00 52.86 51.20 1xkw s ASN 668 Cb -0.16 -0.21 0.00 0.00 0.41 0.00 0.00 41.25 41.30 1xkw s ASN 668 CO 0.06 0.14 0.21 -0.04 -1.51 0.00 0.00 177.10 175.95 1xkw s MET 669 N -2.15 0.86 -0.04 -0.60 -1.94 -0.06 -0.20 119.30 115.16 1xkw s MET 669 Ca 0.14 -0.92 -0.06 0.00 -1.71 0.00 0.00 55.69 53.13 1xkw s MET 669 Cb -0.10 0.35 0.01 0.00 2.01 0.00 0.00 34.83 37.11 1xkw s MET 669 CO 0.06 -0.28 0.15 0.50 -0.01 0.00 0.00 175.02 175.44 1xkw s ARG 670 N -3.80 0.26 -0.11 2.03 3.52 0.38 -1.07 118.95 120.15 1xkw s ARG 670 Ca 0.04 0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.70 1xkw s ARG 670 Cb 0.04 0.12 0.02 0.00 -1.56 0.00 0.00 34.95 33.57 1xkw s ARG 670 CO -0.11 -0.04 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.73 1xkw s LEU 671 N -0.30 1.36 0.18 -0.88 1.43 -0.27 -0.37 118.68 119.84 1xkw s LEU 671 Ca -0.04 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 52.83 1xkw s LEU 671 Cb -0.03 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 1xkw s LEU 671 CO 0.01 -0.08 -0.13 -0.83 0.23 0.00 0.00 176.35 175.55 1xkw s GLY 672 N 1.44 1.72 -0.15 -3.19 0.00 -0.02 -1.04 107.32 106.09 1xkw s GLY 672 Ca 0.00 -1.51 -0.04 0.00 0.00 0.00 0.00 44.72 43.17 1xkw s GLY 672 CO -0.06 -1.53 0.25 -0.47 0.00 0.00 0.00 173.10 171.29 1xkw s TYR 673 N -1.68 -0.40 -0.57 1.90 5.04 0.95 -1.94 117.35 120.66 1xkw s TYR 673 Ca 0.24 0.79 -0.27 0.00 -2.44 0.00 0.00 57.07 55.39 1xkw s TYR 673 Cb -0.09 -0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.14 1xkw s TYR 673 CO 0.14 -0.42 1.10 0.15 -1.34 0.00 0.00 175.55 175.18 1xkw s LYS 674 N 2.40 3.45 0.16 4.97 1.02 -0.22 -0.39 119.74 131.13 1xkw s LYS 674 Ca 0.03 0.07 -0.14 0.00 0.02 0.00 0.00 55.97 55.96 1xkw s LYS 674 Cb -0.13 -4.02 0.05 0.00 -0.52 0.00 0.00 37.83 33.20 1xkw s LYS 674 CO -0.09 -1.60 1.74 0.82 -0.92 0.00 0.00 175.35 175.30 1xkw h ILE 675 N 6.11 1.20 -1.51 2.17 2.04 -1.01 -3.47 117.51 123.04 1xkw h ILE 675 Ca -0.25 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1xkw h ILE 675 Cb 1.06 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1xkw h ILE 675 CO 1.15 0.22 0.00 -0.90 0.00 0.00 0.00 178.15 178.62 1xkw n ASP 676 N -4.59 0.00 0.29 1.72 5.68 -1.15 -4.98 116.55 113.52 1xkw n ASP 676 Ca 0.02 -0.51 0.16 0.00 -0.50 0.00 0.00 54.79 53.97 1xkw n ASP 676 Cb 0.12 0.00 0.87 0.00 -1.14 0.00 0.00 41.12 40.97 1xkw n ASP 676 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1xkw h GLU 677 N 0.00 0.00 0.00 0.11 5.08 -1.98 -3.27 114.58 114.52 1xkw h GLU 677 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1xkw h GLU 677 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1xkw h GLU 677 CO 0.00 0.06 -2.17 0.72 -1.00 0.00 0.00 179.01 176.62 1xkw n HIS 678 N -3.44 0.00 -4.23 4.33 8.25 -1.26 -4.86 115.22 114.01 1xkw n HIS 678 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.10 1xkw n HIS 678 Cb 0.19 -0.81 -0.10 0.00 1.12 0.00 0.00 29.99 30.38 1xkw n HIS 678 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1xkw s TRP 679 N -2.41 3.17 -0.09 4.41 0.52 -1.23 -0.97 118.94 122.33 1xkw s TRP 679 Ca -0.17 0.01 0.01 0.00 0.02 0.00 0.00 56.10 55.98 1xkw s TRP 679 Cb 0.06 -1.95 0.02 0.00 -1.15 0.00 0.00 33.47 30.44 1xkw s TRP 679 CO 0.59 0.21 -0.12 0.99 0.02 0.00 0.00 176.95 178.65 1xkw s THR 680 N -0.05 1.22 0.12 2.01 2.01 -0.27 -0.31 115.64 120.37 1xkw s THR 680 Ca 0.04 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.59 1xkw s THR 680 Cb -0.13 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 1xkw s THR 680 CO 0.02 0.38 0.17 0.00 -0.69 0.00 0.00 174.62 174.50 1xkw s ALA 681 N 1.06 3.76 0.01 7.40 0.00 0.48 -0.98 121.76 133.49 1xkw s ALA 681 Ca -0.06 -1.04 -0.26 0.00 0.00 0.00 0.00 51.96 50.59 1xkw s ALA 681 Cb -0.15 -1.58 0.06 0.00 0.00 0.00 0.00 23.12 21.46 1xkw s ALA 681 CO -0.01 0.64 0.59 0.00 0.00 0.00 0.00 175.76 176.97 1xkw s ALA 682 N -1.61 -1.52 -0.05 0.00 0.00 -0.56 -0.03 121.76 117.98 1xkw s ALA 682 Ca 0.32 0.89 0.04 0.00 0.00 0.00 0.00 51.96 53.22 1xkw s ALA 682 Cb -0.11 0.25 -0.00 0.00 0.00 0.00 0.00 23.12 23.25 1xkw s ALA 682 CO 0.25 -0.46 -0.17 0.08 0.00 0.00 0.00 175.76 175.46 1xkw s VAL 683 N -1.95 1.48 0.09 0.00 1.01 -0.21 -1.01 120.40 119.81 1xkw s VAL 683 Ca -0.08 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.27 1xkw s VAL 683 Cb -0.01 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1xkw s VAL 683 CO 0.03 0.43 -0.24 0.20 0.00 0.00 0.00 175.10 175.51 1xkw s ASN 684 N 0.15 2.97 -0.03 3.32 -0.87 0.77 -1.11 114.94 120.14 1xkw s ASN 684 Ca -0.07 -0.66 0.01 0.00 -1.57 0.00 0.00 52.86 50.57 1xkw s ASN 684 Cb -0.13 -0.22 0.02 0.00 -0.02 0.00 0.00 41.25 40.90 1xkw s ASN 684 CO 0.03 0.17 -0.03 -0.69 -2.57 0.00 0.00 177.10 174.01 1xkw s VAL 685 N -0.98 0.39 0.03 1.60 1.01 -0.23 -0.65 120.40 121.57 1xkw s VAL 685 Ca 0.11 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1xkw s VAL 685 Cb -0.10 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 1xkw s VAL 685 CO 0.04 0.18 -0.21 0.20 0.00 0.00 0.00 175.10 175.31 1xkw s ASN 686 N 0.80 3.59 -1.14 3.32 -0.87 0.07 -0.88 114.94 119.82 1xkw s ASN 686 Ca -0.09 -0.45 -0.11 0.00 -1.57 0.00 0.00 52.86 50.63 1xkw s ASN 686 Cb -0.13 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.25 40.55 1xkw s ASN 686 CO -0.00 0.27 0.83 -3.20 -2.57 0.00 0.00 177.10 172.43 1xkw n ASN 687 N 1.75 -4.90 -0.34 -1.22 5.15 -0.84 -1.51 115.26 113.35 1xkw n ASN 687 Ca -0.16 -0.85 0.17 0.00 -0.60 0.00 0.00 54.58 53.13 1xkw n ASN 687 Cb 0.52 -4.26 0.38 0.00 -0.53 0.00 0.00 39.78 35.89 1xkw n ASN 687 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1xkw h LEU 688 N -1.59 0.68 -2.13 1.20 5.85 -0.72 0.18 115.31 118.79 1xkw h LEU 688 Ca -0.63 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1xkw h LEU 688 Cb 1.34 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1xkw h LEU 688 CO 0.48 0.15 0.00 0.49 -0.34 0.00 0.00 178.44 179.22 1xkw n PHE 689 N -4.83 0.95 -3.96 1.25 3.72 -1.26 -4.95 117.46 108.38 1xkw n PHE 689 Ca 0.26 -0.38 -0.26 0.00 -0.05 0.00 0.00 57.45 57.02 1xkw n PHE 689 Cb 0.71 -0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 39.06 1xkw n PHE 689 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1xkw n ASP 690 N 0.63 -0.58 -4.75 4.37 2.03 0.05 -4.90 116.55 113.40 1xkw n ASP 690 Ca 0.16 -1.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.06 1xkw n ASP 690 Cb 0.61 -3.07 -0.03 0.00 -0.72 0.00 0.00 41.12 37.91 1xkw n ASP 690 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1xkw s ARG 691 N -6.57 4.35 -0.20 -0.67 6.06 -1.26 -4.80 118.95 115.86 1xkw s ARG 691 Ca 0.06 2.17 -0.13 0.00 -2.50 0.00 0.00 55.73 55.33 1xkw s ARG 691 Cb -0.03 -3.13 -0.05 0.00 0.06 0.00 0.00 34.95 31.80 1xkw s ARG 691 CO 0.89 -0.27 0.25 0.99 -2.50 0.00 0.00 175.30 174.66 1xkw s THR 692 N -0.30 5.31 0.20 4.11 2.01 -1.26 -4.77 115.64 120.94 1xkw s THR 692 Ca 0.55 0.42 -0.23 0.00 0.31 0.00 0.00 61.69 62.74 1xkw s THR 692 Cb -0.39 -3.59 0.05 0.00 0.01 0.00 0.00 72.50 68.58 1xkw s THR 692 CO 0.44 0.35 0.76 -0.72 -0.69 0.00 0.00 174.62 174.76 1xkw s TYR 693 N 0.85 -0.27 -0.26 4.92 1.13 -1.26 -5.06 117.35 117.40 1xkw s TYR 693 Ca 0.13 -0.07 -0.14 0.00 -1.41 0.00 0.00 57.07 55.57 1xkw s TYR 693 Cb -0.13 0.65 -0.04 0.00 -1.10 0.00 0.00 41.96 41.33 1xkw s TYR 693 CO 0.04 -1.00 0.35 0.71 -2.51 0.00 0.00 175.55 173.14 1xkw s TYR 694 N -3.67 3.27 0.29 -3.49 2.02 -1.26 -0.20 117.35 114.32 1xkw s TYR 694 Ca 0.09 0.41 0.04 0.00 -0.37 0.00 0.00 57.07 57.24 1xkw s TYR 694 Cb -0.03 -2.53 0.46 0.00 -0.40 0.00 0.00 41.96 39.45 1xkw s TYR 694 CO 0.00 -0.16 1.73 0.37 -1.57 0.00 0.00 175.55 175.92 1xkw h GLN 695 N 7.99 0.38 -2.52 -0.62 5.75 0.60 -3.45 115.11 123.25 1xkw h GLN 695 Ca -0.33 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 57.96 1xkw h GLN 695 Cb 1.16 -0.02 -0.17 0.00 1.07 0.00 0.00 27.48 29.52 1xkw h GLN 695 CO 0.65 0.64 0.09 -1.54 -2.65 0.00 0.00 178.83 176.02 1xkw s SER 696 N -6.84 -0.52 0.16 -0.69 1.04 -0.97 -4.81 113.70 101.07 1xkw s SER 696 Ca -0.06 0.36 0.10 0.00 0.48 0.00 0.00 55.95 56.83 1xkw s SER 696 Cb 0.14 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 1xkw s SER 696 CO 0.78 -0.68 -0.22 -0.76 0.98 0.00 0.00 173.24 173.35 1xkw s LEU 697 N -1.69 2.39 0.00 2.42 1.43 -1.26 -0.93 118.68 121.04 1xkw s LEU 697 Ca -0.08 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.21 1xkw s LEU 697 Cb -0.01 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.23 1xkw s LEU 697 CO 0.02 0.06 0.00 -1.54 0.23 0.00 0.00 176.35 175.12 1xkw n SER 698 N 0.53 0.00 -3.67 2.29 3.41 -1.26 -4.94 113.62 109.98 1xkw n SER 698 Ca -0.15 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.38 1xkw n SER 698 Cb 0.55 0.06 -0.09 0.00 -0.26 0.00 0.00 64.21 64.48 1xkw n SER 698 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xkw s ASN 699 N -1.21 -0.74 0.61 4.04 3.84 -1.24 -4.79 114.94 115.45 1xkw s ASN 699 Ca 0.00 1.23 0.34 0.00 0.21 0.00 0.00 52.86 54.64 1xkw s ASN 699 Cb 0.00 1.16 1.99 0.00 -0.55 0.00 0.00 41.25 43.85 1xkw s ASN 699 CO 0.00 -0.22 2.29 1.55 -2.79 0.00 0.00 177.10 177.93 1xkw h PRO 700 N 7.15 0.00 0.00 0.43 0.13 -1.93 -2.23 132.00 135.55 1xkw h PRO 700 Ca -0.32 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.66 1xkw h PRO 700 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1xkw h PRO 700 CO 0.21 0.00 -0.73 -0.91 -0.23 0.00 0.00 178.00 176.35 1xkw h ASN 701 N 0.00 0.00 0.00 1.44 2.35 -1.87 0.35 115.58 117.85 1xkw h ASN 701 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xkw h ASN 701 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1xkw h ASN 701 CO 0.00 0.73 0.00 -2.67 -1.65 0.00 0.00 177.43 173.84 1xkw n TRP 702 N -3.66 0.00 -2.20 1.19 4.27 -0.84 -0.84 117.44 115.35 1xkw n TRP 702 Ca -0.01 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.48 1xkw n TRP 702 Cb 0.71 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.66 1xkw n TRP 702 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 1xkw n ASN 703 N 0.00 -3.87 -4.89 -0.67 5.15 0.56 -3.60 115.26 107.94 1xkw n ASN 703 Ca 0.00 -0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 1xkw n ASN 703 Cb 0.00 -3.06 -0.05 0.00 -0.53 0.00 0.00 39.78 36.14 1xkw n ASN 703 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1xkw s ASN 704 N -2.47 6.54 -0.14 1.20 0.01 -0.90 -4.34 114.94 114.84 1xkw s ASN 704 Ca 0.00 0.66 -0.00 0.00 -0.71 0.00 0.00 52.86 52.81 1xkw s ASN 704 Cb 0.00 -2.12 0.03 0.00 0.41 0.00 0.00 41.25 39.57 1xkw s ASN 704 CO 0.00 0.10 -0.08 -0.13 -1.51 0.00 0.00 177.10 175.47 1xkw s ARG 705 N -2.37 1.69 0.63 -0.60 1.81 -0.11 -1.97 118.95 118.03 1xkw s ARG 705 Ca 0.38 -0.43 -0.17 0.00 -1.72 0.00 0.00 55.73 53.79 1xkw s ARG 705 Cb -0.13 -1.86 -0.01 0.00 -0.45 0.00 0.00 34.95 32.50 1xkw s ARG 705 CO 0.22 -0.32 1.15 0.71 -0.68 0.00 0.00 175.30 176.38 1xkw s TYR 706 N 1.62 2.50 0.54 -0.53 2.02 -1.26 0.11 117.35 122.35 1xkw s TYR 706 Ca 0.03 1.55 -0.04 0.00 -0.37 0.00 0.00 57.07 58.24 1xkw s TYR 706 Cb -0.14 -3.30 -0.00 0.00 -0.40 0.00 0.00 41.96 38.12 1xkw s TYR 706 CO -0.09 -1.90 0.83 0.20 -1.57 0.00 0.00 175.55 173.02 1xkw s GLY 707 N -2.13 1.57 0.27 0.71 0.00 0.72 -4.30 107.32 104.16 1xkw s GLY 707 Ca 0.71 -0.73 -0.30 0.00 0.00 0.00 0.00 44.72 44.40 1xkw s GLY 707 CO 0.37 -0.50 1.44 -0.54 0.00 0.00 0.00 173.10 173.87 1xkw s GLU 708 N -4.84 4.25 1.13 2.90 2.02 -1.26 -4.76 118.70 118.14 1xkw s GLU 708 Ca 0.51 2.33 -0.19 0.00 0.02 0.00 0.00 54.97 57.65 1xkw s GLU 708 Cb -0.10 -3.09 0.28 0.00 0.10 0.00 0.00 34.13 31.32 1xkw s GLU 708 CO 0.44 -0.42 1.04 -2.30 0.02 0.00 0.00 175.26 174.03 1xkw n PRO 709 N 2.05 -2.85 -1.62 0.39 -0.02 -1.26 -4.87 135.00 126.82 1xkw n PRO 709 Ca 0.06 -1.65 -0.46 0.00 -2.02 0.00 0.00 63.50 59.42 1xkw n PRO 709 Cb 0.40 -1.51 -0.03 0.00 -0.02 0.00 0.00 33.50 32.35 1xkw n PRO 709 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1xkw n ARG 710 N -4.53 1.55 -4.24 -0.52 0.63 -1.25 -4.82 116.66 103.47 1xkw n ARG 710 Ca 0.14 0.55 -0.17 0.00 -0.92 0.00 0.00 57.85 57.45 1xkw n ARG 710 Cb 0.55 -2.07 -0.14 0.00 0.45 0.00 0.00 32.46 31.25 1xkw n ARG 710 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1xkw s SER 711 N -0.08 0.98 0.13 6.15 0.15 -0.57 -4.99 113.70 115.48 1xkw s SER 711 Ca 0.67 -0.27 0.10 0.00 0.70 0.00 0.00 55.95 57.15 1xkw s SER 711 Cb -0.73 -0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 63.47 1xkw s SER 711 CO 0.54 0.02 -0.23 0.72 1.20 0.00 0.00 173.24 175.49 1xkw s PHE 712 N -0.52 2.07 -0.12 3.44 -0.12 -1.26 -0.75 117.98 120.71 1xkw s PHE 712 Ca 0.00 -0.40 -0.07 0.00 -0.05 0.00 0.00 56.93 56.41 1xkw s PHE 712 Cb -0.05 -1.10 0.04 0.00 -0.63 0.00 0.00 43.02 41.28 1xkw s PHE 712 CO 0.00 0.31 0.28 1.21 -0.05 0.00 0.00 175.22 176.98 1xkw s ASN 713 N -2.15 -0.31 -0.09 1.98 2.47 0.18 -1.38 114.94 115.63 1xkw s ASN 713 Ca 0.12 0.60 0.01 0.00 0.42 0.00 0.00 52.86 54.01 1xkw s ASN 713 Cb -0.09 0.51 -0.02 0.00 -1.45 0.00 0.00 41.25 40.20 1xkw s ASN 713 CO 0.06 -0.15 -0.11 -0.69 -3.72 0.00 0.00 177.10 172.49 1xkw s VAL 714 N 0.98 3.28 0.05 -5.21 1.01 0.03 -0.16 120.40 120.37 1xkw s VAL 714 Ca -0.07 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1xkw s VAL 714 Cb -0.08 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1xkw s VAL 714 CO -0.07 0.56 -0.04 -0.94 0.00 0.00 0.00 175.10 174.61 1xkw s SER 715 N -0.25 0.59 -0.10 3.32 1.04 -0.18 -0.76 113.70 117.36 1xkw s SER 715 Ca 0.02 -0.79 -0.00 0.00 0.48 0.00 0.00 55.95 55.66 1xkw s SER 715 Cb -0.13 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.14 1xkw s SER 715 CO 0.03 -0.43 -0.08 -0.22 0.98 0.00 0.00 173.24 173.53 1xkw s LEU 716 N -2.31 1.20 -0.07 2.42 2.96 0.51 -1.50 118.68 121.88 1xkw s LEU 716 Ca -0.01 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 53.66 1xkw s LEU 716 Cb -0.01 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.87 1xkw s LEU 716 CO -0.05 -0.11 -0.24 -0.13 -1.32 0.00 0.00 176.35 174.51 1xkw s ARG 717 N 1.60 2.64 0.04 1.98 0.52 -0.15 -0.59 118.95 124.99 1xkw s ARG 717 Ca 0.03 -0.87 0.08 0.00 -0.52 0.00 0.00 55.73 54.45 1xkw s ARG 717 Cb -0.13 -2.15 -0.03 0.00 0.52 0.00 0.00 34.95 33.16 1xkw s ARG 717 CO -0.07 0.30 -0.22 0.20 0.02 0.00 0.00 175.30 175.53 1xkw s GLY 718 N 0.03 1.48 -0.05 -3.53 0.00 -0.07 -1.11 107.32 104.08 1xkw s GLY 718 Ca -0.09 -1.23 0.01 0.00 0.00 0.00 0.00 44.72 43.41 1xkw s GLY 718 CO 0.05 -1.11 -0.03 0.00 0.00 0.00 0.00 173.10 172.01 1xkw s ALA 719 N -0.86 0.63 0.00 3.20 0.00 -0.15 -1.06 121.76 123.53 1xkw s ALA 719 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1xkw s ALA 719 Cb -0.10 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1xkw s ALA 719 CO 0.03 -0.08 0.12 1.19 0.00 0.00 0.00 175.76 177.02