#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k1x s GLU 2 N 0.00 3.92 0.55 3.17 0.41 0.07 -5.00 118.70 121.81 1k1x s GLU 2 Ca 0.00 0.72 -0.15 0.00 -0.41 0.00 0.00 54.97 55.13 1k1x s GLU 2 Cb 0.00 -2.29 -0.06 0.00 -1.78 0.00 0.00 34.13 29.99 1k1x s GLU 2 CO 0.00 -0.08 1.01 1.03 -0.49 0.00 0.00 175.26 176.73 1k1x s ARG 3 N -3.71 3.77 -0.13 1.61 0.52 -1.26 -3.82 118.95 115.93 1k1x s ARG 3 Ca 0.55 0.97 -0.10 0.00 -0.52 0.00 0.00 55.73 56.63 1k1x s ARG 3 Cb -0.10 -2.11 -0.05 0.00 0.52 0.00 0.00 34.95 33.22 1k1x s ARG 3 CO 0.27 -0.42 0.21 -1.50 0.02 0.00 0.00 175.30 173.87 1k1x s ILE 4 N -2.69 5.38 0.18 1.52 1.10 0.77 -4.78 121.20 122.68 1k1x s ILE 4 Ca 0.59 0.36 -0.20 0.00 -0.51 0.00 0.00 60.65 60.89 1k1x s ILE 4 Cb -0.11 -3.51 -0.08 0.00 0.15 0.00 0.00 42.46 38.92 1k1x s ILE 4 CO 0.36 0.53 0.68 0.20 -2.11 0.00 0.00 174.94 174.60 1k1x s ASN 5 N -0.43 7.08 -0.06 4.50 0.01 -0.90 0.39 114.94 125.53 1k1x s ASN 5 Ca 0.15 1.38 0.01 0.00 -0.71 0.00 0.00 52.86 53.69 1k1x s ASN 5 Cb -0.13 -2.40 0.02 0.00 0.41 0.00 0.00 41.25 39.15 1k1x s ASN 5 CO 0.04 0.11 -0.08 0.12 -1.51 0.00 0.00 177.10 175.78 1k1x s PHE 6 N -1.39 1.10 -0.18 2.20 5.36 0.11 -1.05 117.98 124.13 1k1x s PHE 6 Ca 0.39 -0.39 -0.03 0.00 -0.96 0.00 0.00 56.93 55.94 1k1x s PHE 6 Cb -0.18 -0.89 -0.01 0.00 -0.34 0.00 0.00 43.02 41.60 1k1x s PHE 6 CO 0.21 -0.26 -0.07 0.42 -1.46 0.00 0.00 175.22 174.06 1k1x s ILE 7 N 0.92 3.32 -0.20 3.12 1.01 -0.77 -1.75 121.20 126.85 1k1x s ILE 7 Ca -0.11 -0.53 -0.03 0.00 0.00 0.00 0.00 60.65 59.98 1k1x s ILE 7 Cb -0.15 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.85 1k1x s ILE 7 CO 0.01 0.47 -0.06 0.12 0.00 0.00 0.00 174.94 175.47 1k1x s PHE 8 N 0.97 2.93 0.02 3.97 5.36 -1.26 -0.84 117.98 129.13 1k1x s PHE 8 Ca -0.01 -0.86 -0.04 0.00 -0.96 0.00 0.00 56.93 55.06 1k1x s PHE 8 Cb -0.15 -2.04 -0.01 0.00 -0.34 0.00 0.00 43.02 40.48 1k1x s PHE 8 CO 0.00 -0.45 0.06 0.20 -1.46 0.00 0.00 175.22 173.57 1k1x s GLY 9 N 1.17 0.17 0.19 13.12 0.00 0.83 -0.13 107.32 122.67 1k1x s GLY 9 Ca 0.02 -0.47 0.07 0.00 0.00 0.00 0.00 44.72 44.34 1k1x s GLY 9 CO -0.02 -0.58 -0.13 -0.26 0.00 0.00 0.00 173.10 172.11 1k1x s ILE 10 N -1.94 1.58 -0.13 0.90 -4.36 -0.24 -2.01 121.20 115.00 1k1x s ILE 10 Ca -0.11 -2.16 -0.01 0.00 -0.26 0.00 0.00 60.65 58.11 1k1x s ILE 10 Cb -0.05 -1.98 0.03 0.00 1.25 0.00 0.00 42.46 41.71 1k1x s ILE 10 CO -0.02 -0.63 -0.05 -2.28 0.24 0.00 0.00 174.94 172.20 1k1x s HIS 11 N -3.04 1.43 -0.25 1.37 5.65 0.01 -1.81 115.29 118.65 1k1x s HIS 11 Ca 0.21 -0.81 -0.03 0.00 0.25 0.00 0.00 55.06 54.68 1k1x s HIS 11 Cb 0.00 -1.19 0.02 0.00 -1.18 0.00 0.00 32.58 30.22 1k1x s HIS 11 CO 0.05 -0.54 -0.04 -0.80 -0.65 0.00 0.00 174.74 172.76 1k1x s ASN 12 N 1.73 4.39 -0.00 9.88 0.01 0.53 0.03 114.94 131.50 1k1x s ASN 12 Ca 0.03 -0.74 -0.01 0.00 -0.71 0.00 0.00 52.86 51.43 1k1x s ASN 12 Cb -0.14 -1.70 -0.00 0.00 0.41 0.00 0.00 41.25 39.81 1k1x s ASN 12 CO -0.08 -0.11 0.02 -2.28 -1.51 0.00 0.00 177.10 173.14 1k1x s HIS 13 N 1.38 0.05 -0.10 2.20 5.65 -1.26 -1.53 115.29 121.69 1k1x s HIS 13 Ca 0.02 -0.10 -0.02 0.00 0.25 0.00 0.00 55.06 55.20 1k1x s HIS 13 Cb -0.16 -0.05 0.04 0.00 -1.18 0.00 0.00 32.58 31.23 1k1x s HIS 13 CO -0.04 -0.08 0.04 -1.14 -0.65 0.00 0.00 174.74 172.88 1k1x s GLN 14 N -0.47 0.30 0.53 2.88 2.00 -1.26 -5.04 119.66 118.60 1k1x s GLN 14 Ca -0.05 0.08 -0.21 0.00 -2.00 0.00 0.00 55.36 53.19 1k1x s GLN 14 Cb -0.03 -1.14 -0.06 0.00 0.80 0.00 0.00 33.01 32.58 1k1x s GLN 14 CO -0.00 -0.43 1.19 -1.25 -0.50 0.00 0.00 175.29 174.30 1k1x s PRO 15 N 2.05 3.35 0.32 1.67 0.04 -1.26 -4.56 135.00 136.61 1k1x s PRO 15 Ca 0.04 1.80 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 1k1x s PRO 15 Cb -0.14 -2.14 -0.11 0.00 0.04 0.00 0.00 34.50 32.15 1k1x s PRO 15 CO -0.06 -0.89 1.54 -0.51 0.04 0.00 0.00 177.00 177.12 1k1x s LEU 16 N -3.60 4.34 0.00 -3.56 1.43 -1.26 -1.93 118.68 114.10 1k1x s LEU 16 Ca 0.71 2.95 0.00 0.00 -1.03 0.00 0.00 54.13 56.76 1k1x s LEU 16 Cb -0.29 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.28 1k1x s LEU 16 CO 0.33 -0.87 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1k1x n GLY 17 N 1.61 1.08 3.75 -3.19 0.00 -1.26 -4.80 105.19 102.38 1k1x n GLY 17 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1k1x n GLY 17 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k1x s ASN 18 N -1.72 5.11 0.67 1.61 0.01 -0.81 -4.64 114.94 115.16 1k1x s ASN 18 Ca 0.00 2.43 -0.17 0.00 -0.71 0.00 0.00 52.86 54.42 1k1x s ASN 18 Cb 0.00 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1k1x s ASN 18 CO 0.00 -1.65 1.23 -0.36 -1.51 0.00 0.00 177.10 174.80 1k1x s PHE 19 N -1.55 2.17 0.19 2.20 0.40 -1.26 -4.92 117.98 115.22 1k1x s PHE 19 Ca 0.78 1.54 -0.11 0.00 -0.60 0.00 0.00 56.93 58.54 1k1x s PHE 19 Cb -0.32 -3.52 0.20 0.00 0.51 0.00 0.00 43.02 39.89 1k1x s PHE 19 CO 0.34 -2.54 1.78 0.78 0.70 0.00 0.00 175.22 176.28 1k1x h GLY 20 N 0.27 0.81 2.00 4.36 0.00 -2.02 -2.00 103.07 106.49 1k1x h GLY 20 Ca -0.49 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 1k1x h GLY 20 CO 0.52 0.09 -0.11 0.11 0.00 0.00 0.00 176.54 177.15 1k1x h TRP 21 N 0.52 0.00 -0.69 5.60 5.08 -1.99 -2.28 115.95 122.19 1k1x h TRP 21 Ca 0.26 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.17 1k1x h TRP 21 Cb 0.21 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.34 1k1x h TRP 21 CO -0.11 0.11 0.18 0.28 -1.28 0.00 0.00 178.44 177.61 1k1x h VAL 22 N 0.00 1.26 -0.24 0.12 2.07 -1.72 0.11 116.25 117.85 1k1x h VAL 22 Ca -0.00 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 1k1x h VAL 22 Cb 0.24 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1k1x h VAL 22 CO 0.01 0.36 -0.03 -0.26 0.02 0.00 0.00 177.57 177.68 1k1x h PHE 23 N 1.02 0.49 -0.40 1.57 -1.00 -1.42 -1.63 116.94 115.57 1k1x h PHE 23 Ca 0.22 -0.10 0.04 0.00 2.81 0.00 0.00 57.97 60.94 1k1x h PHE 23 Cb 0.35 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 39.75 1k1x h PHE 23 CO 0.03 0.64 0.17 1.49 -1.61 0.00 0.00 178.31 179.03 1k1x h GLU 24 N 0.20 0.34 -0.42 1.51 4.57 -1.23 -0.64 114.58 118.91 1k1x h GLU 24 Ca 0.06 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 1k1x h GLU 24 Cb 0.46 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 1k1x h GLU 24 CO 0.02 0.23 0.09 1.49 -1.18 0.00 0.00 179.01 179.65 1k1x h GLU 25 N 0.35 0.67 -0.56 1.92 4.81 -0.73 -1.81 114.58 119.24 1k1x h GLU 25 Ca 0.18 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1k1x h GLU 25 Cb 0.13 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1k1x h GLU 25 CO -0.16 0.70 0.33 0.00 -0.73 0.00 0.00 179.01 179.15 1k1x h ALA 26 N 0.95 1.52 -0.03 2.92 0.00 -0.90 0.12 119.26 123.84 1k1x h ALA 26 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1k1x h ALA 26 Cb 0.33 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1k1x h ALA 26 CO 0.00 0.41 -0.04 -0.92 0.00 0.00 0.00 179.25 178.71 1k1x h TYR 27 N 0.77 0.09 0.00 0.00 3.20 -0.89 -1.19 116.97 118.95 1k1x h TYR 27 Ca 0.20 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 1k1x h TYR 27 Cb -0.01 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1k1x h TYR 27 CO 0.00 0.59 -0.37 -0.91 -1.64 0.00 0.00 178.16 175.84 1k1x h ASN 28 N -0.44 0.00 0.74 -2.11 2.35 -1.19 0.15 115.58 115.08 1k1x h ASN 28 Ca 0.00 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.61 1k1x h ASN 28 Cb 0.58 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.93 1k1x h ASN 28 CO 0.01 0.37 -1.36 -1.14 -1.65 0.00 0.00 177.43 173.65 1k1x n ARG 29 N -3.31 0.62 0.13 0.81 3.00 0.39 -4.55 116.66 113.75 1k1x n ARG 29 Ca 0.01 0.21 0.00 0.00 -0.00 0.00 0.00 57.85 58.07 1k1x n ARG 29 Cb 0.60 -1.81 0.00 0.00 0.00 0.00 0.00 32.46 31.25 1k1x n ARG 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1k1x n SER 30 N -2.86 -0.34 -0.22 6.15 2.88 -0.52 -4.18 113.62 114.54 1k1x n SER 30 Ca -0.08 0.44 0.02 0.00 -1.33 0.00 0.00 58.87 57.92 1k1x n SER 30 Cb 0.80 0.52 0.14 0.00 -0.75 0.00 0.00 64.21 64.92 1k1x n SER 30 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1k1x h TYR 31 N 0.00 0.31 0.18 0.66 0.99 -1.34 -1.63 116.97 116.14 1k1x h TYR 31 Ca 0.00 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 1k1x h TYR 31 Cb 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 37.70 1k1x h TYR 31 CO 0.00 -0.00 -0.09 -0.09 -0.00 0.00 0.00 178.16 177.98 1k1x h ARG 32 N 0.32 -0.23 -0.82 4.88 2.43 -0.95 -3.21 114.38 116.81 1k1x h ARG 32 Ca 0.35 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.62 1k1x h ARG 32 Cb 0.53 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.07 1k1x h ARG 32 CO -0.41 0.07 0.48 -1.00 -1.51 0.00 0.00 179.97 177.60 1k1x h PRO 33 N -0.99 0.81 -0.41 0.20 0.13 -1.74 -0.47 132.00 129.52 1k1x h PRO 33 Ca -0.02 -0.05 0.07 0.00 -0.87 0.00 0.00 66.00 65.12 1k1x h PRO 33 Cb 0.41 -0.18 -0.06 0.00 0.13 0.00 0.00 31.00 31.30 1k1x h PRO 33 CO 0.04 0.54 0.06 0.35 -0.23 0.00 0.00 178.00 178.76 1k1x h PHE 34 N 0.84 0.10 -0.01 1.56 3.57 -1.44 0.19 116.94 121.76 1k1x h PHE 34 Ca 0.38 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.75 1k1x h PHE 34 Cb 0.27 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1k1x h PHE 34 CO -0.05 -0.01 -0.69 0.52 -2.23 0.00 0.00 178.31 175.84 1k1x h MET 35 N 0.19 0.04 -0.48 1.11 2.86 -1.42 -0.81 114.93 116.42 1k1x h MET 35 Ca 0.20 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.69 1k1x h MET 35 Cb 0.26 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1k1x h MET 35 CO -0.28 0.72 -0.17 0.93 1.06 0.00 0.00 176.91 179.17 1k1x h GLU 36 N 0.03 0.94 0.00 1.72 5.08 -0.57 -1.63 114.58 120.15 1k1x h GLU 36 Ca -0.01 -0.37 -0.14 0.00 -1.00 0.00 0.00 59.36 57.84 1k1x h GLU 36 Cb 1.23 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1k1x h GLU 36 CO 0.09 1.03 -0.68 0.82 -1.00 0.00 0.00 179.01 179.27 1k1x h ILE 37 N 0.83 1.46 -0.43 3.13 2.04 -0.88 -2.96 117.51 120.69 1k1x h ILE 37 Ca 0.12 -2.37 -0.08 0.00 1.00 0.00 0.00 64.86 63.53 1k1x h ILE 37 Cb 0.72 2.29 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 1k1x h ILE 37 CO 0.06 0.67 -0.05 0.25 0.00 0.00 0.00 178.15 179.07 1k1x h LEU 38 N 0.00 0.71 -2.20 1.44 5.85 -0.76 -2.36 115.31 117.98 1k1x h LEU 38 Ca -0.01 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1k1x h LEU 38 Cb 1.23 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1k1x h LEU 38 CO 0.09 0.81 0.00 -0.08 -0.34 0.00 0.00 178.44 178.92 1k1x h GLU 39 N 0.68 0.00 0.00 1.25 4.81 -1.13 -2.15 114.58 118.03 1k1x h GLU 39 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1k1x h GLU 39 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1k1x h GLU 39 CO 0.03 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.70 1k1x n GLU 40 N -3.05 0.16 -3.82 1.92 1.02 -0.89 -4.34 120.64 111.64 1k1x n GLU 40 Ca -0.01 0.16 -0.28 0.00 -0.02 0.00 0.00 57.16 57.01 1k1x n GLU 40 Cb 0.18 -1.70 -0.12 0.00 -0.02 0.00 0.00 31.44 29.79 1k1x n GLU 40 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1k1x n PHE 41 N -1.99 2.65 -0.24 -0.32 3.01 -0.81 -4.98 117.46 114.78 1k1x n PHE 41 Ca 0.06 -4.17 0.32 0.00 1.01 0.00 0.00 57.45 54.67 1k1x n PHE 41 Cb 0.38 -0.50 0.61 0.00 -0.01 0.00 0.00 39.48 39.97 1k1x n PHE 41 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1k1x h PRO 42 N 5.40 0.00 -0.00 -1.08 0.11 -1.76 0.12 132.00 134.78 1k1x h PRO 42 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1k1x h PRO 42 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1k1x h PRO 42 CO 0.67 0.00 -0.42 0.39 -0.21 0.00 0.00 178.00 178.43 1k1x n GLU 43 N -3.58 0.32 -2.59 1.05 1.02 -1.26 -4.86 120.64 110.74 1k1x n GLU 43 Ca 0.24 -0.19 -0.41 0.00 -0.02 0.00 0.00 57.16 56.77 1k1x n GLU 43 Cb 1.38 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 31.26 1k1x n GLU 43 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1k1x s MET 44 N -2.81 4.58 -0.07 3.49 1.75 0.40 -5.00 119.30 121.65 1k1x s MET 44 Ca 0.16 1.61 0.05 0.00 -1.25 0.00 0.00 55.69 56.25 1k1x s MET 44 Cb 0.18 -3.35 -0.01 0.00 2.84 0.00 0.00 34.83 34.49 1k1x s MET 44 CO 0.63 0.02 -0.21 0.15 -0.65 0.00 0.00 175.02 174.97 1k1x s LYS 45 N 0.25 2.67 0.02 4.11 1.02 -1.26 -4.63 119.74 121.92 1k1x s LYS 45 Ca 0.51 -0.84 0.04 0.00 0.02 0.00 0.00 55.97 55.70 1k1x s LYS 45 Cb -0.26 -2.27 -0.02 0.00 -0.52 0.00 0.00 37.83 34.76 1k1x s LYS 45 CO 0.31 0.40 -0.11 0.08 -0.92 0.00 0.00 175.35 175.11 1k1x s VAL 46 N -0.18 0.85 -0.36 3.17 1.01 -0.21 -4.54 120.40 120.14 1k1x s VAL 46 Ca -0.02 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 1k1x s VAL 46 Cb -0.14 -0.77 0.05 0.00 0.00 0.00 0.00 36.38 35.52 1k1x s VAL 46 CO 0.04 0.01 0.16 0.20 0.00 0.00 0.00 175.10 175.51 1k1x s ASN 47 N -0.85 5.48 0.04 3.32 0.01 0.81 -1.73 114.94 122.03 1k1x s ASN 47 Ca 0.00 -1.20 0.08 0.00 -0.71 0.00 0.00 52.86 51.03 1k1x s ASN 47 Cb -0.06 -1.93 -0.03 0.00 0.41 0.00 0.00 41.25 39.64 1k1x s ASN 47 CO 0.00 -0.39 -0.22 0.54 -1.51 0.00 0.00 177.10 175.53 1k1x s VAL 48 N 1.44 2.50 -0.09 1.60 0.11 -0.45 -1.08 120.40 124.43 1k1x s VAL 48 Ca 0.00 -1.28 0.03 0.00 -2.93 0.00 0.00 61.98 57.81 1k1x s VAL 48 Cb -0.20 -2.02 0.01 0.00 -1.53 0.00 0.00 36.38 32.63 1k1x s VAL 48 CO 0.03 0.35 -0.19 -2.28 -3.33 0.00 0.00 175.10 169.69 1k1x s HIS 49 N -0.87 2.08 -0.07 1.54 5.04 -0.75 0.04 115.29 122.30 1k1x s HIS 49 Ca 0.13 -0.84 0.05 0.00 -1.54 0.00 0.00 55.06 52.86 1k1x s HIS 49 Cb -0.10 -1.44 -0.01 0.00 0.04 0.00 0.00 32.58 31.07 1k1x s HIS 49 CO 0.04 -0.37 -0.22 -0.06 -2.34 0.00 0.00 174.74 171.79 1k1x s PHE 50 N 0.52 2.53 0.56 3.88 0.40 -1.26 -0.35 117.98 124.27 1k1x s PHE 50 Ca -0.16 -0.64 -0.15 0.00 -0.60 0.00 0.00 56.93 55.37 1k1x s PHE 50 Cb -0.17 -1.64 -0.06 0.00 0.51 0.00 0.00 43.02 41.67 1k1x s PHE 50 CO 0.06 -0.16 1.02 -1.54 0.70 0.00 0.00 175.22 175.29 1k1x s SER 51 N -0.16 6.27 0.13 1.36 1.04 -0.58 -4.89 113.70 116.87 1k1x s SER 51 Ca -0.03 1.61 -0.24 0.00 0.48 0.00 0.00 55.95 57.77 1k1x s SER 51 Cb -0.14 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.45 1k1x s SER 51 CO 0.04 -0.83 1.64 1.23 0.98 0.00 0.00 173.24 176.30 1k1x h GLY 52 N 0.51 -0.26 0.55 7.32 0.00 -1.02 -2.01 103.07 108.16 1k1x h GLY 52 Ca -0.46 0.27 0.10 0.00 0.00 0.00 0.00 47.33 47.24 1k1x h GLY 52 CO 0.60 -0.19 0.60 -2.55 0.00 0.00 0.00 176.54 175.00 1k1x h PRO 53 N -0.31 0.96 -0.09 4.80 0.11 -1.87 -0.74 132.00 134.87 1k1x h PRO 53 Ca 0.09 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1k1x h PRO 53 Cb 0.43 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 1k1x h PRO 53 CO -0.26 0.64 0.06 1.25 -0.21 0.00 0.00 178.00 179.47 1k1x h LEU 54 N 0.99 0.10 -1.82 2.35 6.46 -1.71 0.57 115.31 122.24 1k1x h LEU 54 Ca 0.46 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 58.20 1k1x h LEU 54 Cb 0.38 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.28 1k1x h LEU 54 CO -0.24 0.07 -0.07 -0.07 -0.62 0.00 0.00 178.44 177.51 1k1x h LEU 55 N 0.12 0.02 -0.06 2.25 3.38 -0.59 -0.46 115.31 119.96 1k1x h LEU 55 Ca 0.03 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.75 1k1x h LEU 55 Cb -0.01 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.74 1k1x h LEU 55 CO -0.01 0.09 -1.05 -0.33 0.09 0.00 0.00 178.44 177.23 1k1x h GLU 56 N 0.02 0.47 -0.76 1.13 5.08 -0.36 -1.49 114.58 118.66 1k1x h GLU 56 Ca 0.00 -0.56 -0.06 0.00 -1.00 0.00 0.00 59.36 57.75 1k1x h GLU 56 Cb 0.14 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1k1x h GLU 56 CO 0.01 1.20 0.25 2.35 -1.00 0.00 0.00 179.01 181.82 1k1x h TRP 57 N 0.24 1.21 -0.57 4.33 7.01 -0.37 -2.27 115.95 125.52 1k1x h TRP 57 Ca -0.11 -0.12 -0.10 0.00 2.11 0.00 0.00 58.89 60.67 1k1x h TRP 57 Cb 1.71 -0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 28.40 1k1x h TRP 57 CO 0.08 0.94 -0.05 0.82 -2.79 0.00 0.00 178.44 177.44 1k1x h ILE 58 N 1.13 1.27 -0.28 2.65 2.04 -1.04 -1.24 117.51 122.03 1k1x h ILE 58 Ca 0.25 -1.20 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 1k1x h ILE 58 Cb 0.29 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1k1x h ILE 58 CO -0.01 0.43 0.16 -0.08 0.00 0.00 0.00 178.15 178.65 1k1x h GLU 59 N 0.93 0.39 -0.05 2.37 4.81 -1.02 0.36 114.58 122.37 1k1x h GLU 59 Ca 0.16 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 1k1x h GLU 59 Cb 0.61 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1k1x h GLU 59 CO 0.04 0.32 -0.50 1.49 -0.73 0.00 0.00 179.01 179.63 1k1x h GLU 60 N 0.35 0.14 0.00 1.92 4.57 -1.33 -3.34 114.58 116.88 1k1x h GLU 60 Ca 0.10 -0.08 -0.18 0.00 -1.18 0.00 0.00 59.36 58.03 1k1x h GLU 60 Cb 0.04 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 1k1x h GLU 60 CO -0.02 0.61 -1.66 0.09 -1.18 0.00 0.00 179.01 176.85 1k1x n ASN 61 N -3.95 2.80 -2.81 1.04 3.02 -0.48 -4.84 115.26 110.04 1k1x n ASN 61 Ca -0.02 -0.03 -0.26 0.00 -0.03 0.00 0.00 54.58 54.24 1k1x n ASN 61 Cb 0.53 -0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.47 1k1x n ASN 61 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k1x n LYS 62 N -2.94 3.05 -0.34 3.52 4.01 0.12 -4.91 118.16 120.68 1k1x n LYS 62 Ca -0.21 -4.59 0.21 0.00 -0.51 0.00 0.00 58.31 53.21 1k1x n LYS 62 Cb 0.71 -2.17 0.44 0.00 -0.51 0.00 0.00 35.03 33.50 1k1x n LYS 62 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 1k1x h PRO 63 N 2.86 0.45 -0.49 1.97 0.11 -1.60 0.13 132.00 135.43 1k1x h PRO 63 Ca 0.17 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.32 1k1x h PRO 63 Cb 0.69 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.66 1k1x h PRO 63 CO 0.79 0.30 0.33 -0.44 -0.21 0.00 0.00 178.00 178.77 1k1x h ASP 64 N 0.47 0.35 -0.90 -2.05 3.45 -1.91 -1.69 116.42 114.15 1k1x h ASP 64 Ca 0.67 0.00 0.02 0.00 0.43 0.00 0.00 57.03 58.15 1k1x h ASP 64 Cb 1.44 -0.07 -0.05 0.00 -0.56 0.00 0.00 39.33 40.08 1k1x h ASP 64 CO -0.48 0.23 0.59 0.22 -1.57 0.00 0.00 179.24 178.22 1k1x h TYR 65 N 0.40 1.11 -0.33 4.55 3.20 -1.08 -1.96 116.97 122.85 1k1x h TYR 65 Ca 0.22 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.05 1k1x h TYR 65 Cb 0.35 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1k1x h TYR 65 CO -0.00 0.66 -0.08 -0.07 -1.64 0.00 0.00 178.16 177.04 1k1x h LEU 66 N 1.16 0.51 -0.95 2.82 3.38 -1.39 -0.01 115.31 120.83 1k1x h LEU 66 Ca 0.35 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 1k1x h LEU 66 Cb -0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1k1x h LEU 66 CO -0.10 0.64 -0.35 0.44 0.09 0.00 0.00 178.44 179.16 1k1x h ASP 67 N 0.50 0.34 -0.44 -0.43 3.32 -1.36 0.63 116.42 118.99 1k1x h ASP 67 Ca 0.10 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1k1x h ASP 67 Cb 0.44 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1k1x h ASP 67 CO 0.02 0.67 0.11 0.25 -1.72 0.00 0.00 179.24 178.58 1k1x h LEU 68 N 0.29 0.66 -0.97 1.55 5.85 -0.48 -0.14 115.31 122.06 1k1x h LEU 68 Ca 0.03 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 1k1x h LEU 68 Cb 0.76 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1k1x h LEU 68 CO 0.06 0.71 0.05 -0.07 -0.34 0.00 0.00 178.44 178.85 1k1x h LEU 69 N 0.57 0.76 -0.58 2.25 3.38 -0.52 -1.13 115.31 120.05 1k1x h LEU 69 Ca 0.14 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1k1x h LEU 69 Cb 0.30 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1k1x h LEU 69 CO -0.00 0.79 0.12 0.03 0.09 0.00 0.00 178.44 179.47 1k1x h ARG 70 N 0.76 0.95 -0.38 1.13 3.08 -0.53 -0.50 114.38 118.88 1k1x h ARG 70 Ca 0.16 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1k1x h ARG 70 Cb 0.39 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1k1x h ARG 70 CO 0.01 0.89 0.20 1.03 -1.07 0.00 0.00 179.97 181.03 1k1x h SER 71 N 0.85 0.48 0.34 7.04 0.87 -0.58 -0.67 113.55 121.88 1k1x h SER 71 Ca 0.18 -0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 1k1x h SER 71 Cb 0.39 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1k1x h SER 71 CO 0.01 0.45 -0.42 -0.07 -0.53 0.00 0.00 176.83 176.27 1k1x h LEU 72 N 0.48 0.11 -0.12 2.23 3.38 -1.07 -2.27 115.31 118.05 1k1x h LEU 72 Ca 0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1k1x h LEU 72 Cb 0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1k1x h LEU 72 CO -0.02 0.52 0.02 0.40 0.09 0.00 0.00 178.44 179.45 1k1x h ILE 73 N 0.09 1.22 -0.26 1.22 1.08 -0.69 -0.26 117.51 119.90 1k1x h ILE 73 Ca 0.01 -0.68 0.04 0.00 -0.39 0.00 0.00 64.86 63.84 1k1x h ILE 73 Cb 0.78 1.44 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 1k1x h ILE 73 CO 0.06 0.20 0.18 0.50 -0.69 0.00 0.00 178.15 178.39 1k1x h LYS 74 N -0.03 0.16 -0.68 2.37 3.64 -0.77 -1.09 116.57 120.17 1k1x h LYS 74 Ca 0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1k1x h LYS 74 Cb 0.29 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1k1x h LYS 74 CO 0.00 0.11 0.00 2.89 -2.27 0.00 0.00 179.45 180.18 1k1x n ARG 75 N -4.49 3.70 -2.20 1.90 1.85 -0.89 -4.91 116.66 111.62 1k1x n ARG 75 Ca 0.02 -2.27 -0.16 0.00 -1.00 0.00 0.00 57.85 54.44 1k1x n ARG 75 Cb 0.21 -2.00 -0.01 0.00 -1.05 0.00 0.00 32.46 29.61 1k1x n ARG 75 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1k1x n GLY 76 N 0.55 -0.06 0.00 2.89 0.00 -0.41 -4.91 105.19 103.25 1k1x n GLY 76 Ca 0.20 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.10 1k1x n GLY 76 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k1x n GLN 77 N -2.53 0.05 -3.90 1.61 6.02 -0.12 -4.84 117.38 113.67 1k1x n GLN 77 Ca -0.19 -0.01 -0.15 0.00 -0.01 0.00 0.00 57.00 56.64 1k1x n GLN 77 Cb 0.63 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 30.23 1k1x n GLN 77 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1k1x s LEU 78 N -3.13 1.48 -0.16 1.08 1.43 -1.17 -1.04 118.68 117.17 1k1x s LEU 78 Ca 0.07 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1k1x s LEU 78 Cb 0.16 -0.12 -0.02 0.00 0.03 0.00 0.00 46.19 46.24 1k1x s LEU 78 CO 0.86 -0.06 -0.07 -0.70 0.23 0.00 0.00 176.35 176.61 1k1x s GLU 79 N 0.60 3.52 -0.09 1.70 2.12 -0.70 -4.66 118.70 121.18 1k1x s GLU 79 Ca -0.06 -0.60 -0.23 0.00 0.36 0.00 0.00 54.97 54.44 1k1x s GLU 79 Cb -0.08 -2.83 -0.03 0.00 0.26 0.00 0.00 34.13 31.45 1k1x s GLU 79 CO -0.01 0.15 0.71 0.42 -0.54 0.00 0.00 175.26 175.99 1k1x s ILE 80 N 0.56 5.02 -0.09 -3.70 -1.09 -1.26 -1.35 121.20 119.30 1k1x s ILE 80 Ca -0.05 1.44 0.00 0.00 -2.23 0.00 0.00 60.65 59.81 1k1x s ILE 80 Cb -0.15 -4.04 -0.03 0.00 -1.58 0.00 0.00 42.46 36.66 1k1x s ILE 80 CO 0.03 0.21 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.18 1k1x s VAL 81 N 1.09 3.59 0.05 2.92 1.01 0.11 -4.58 120.40 124.59 1k1x s VAL 81 Ca 0.37 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1k1x s VAL 81 Cb -0.17 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1k1x s VAL 81 CO 0.16 0.57 0.03 1.33 0.00 0.00 0.00 175.10 177.20 1k1x n VAL 82 N 2.59 0.00 -2.92 2.92 0.24 -0.47 -4.09 118.33 116.60 1k1x n VAL 82 Ca -0.18 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1k1x n VAL 82 Cb 0.53 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 1k1x n VAL 82 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k1x n ALA 83 N -2.88 0.00 -2.43 2.33 0.00 -1.26 0.07 120.51 116.33 1k1x n ALA 83 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 1k1x n ALA 83 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 1k1x n ALA 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1k1x s GLY 84 N -0.99 2.56 0.27 0.00 0.00 -1.26 -4.15 107.32 103.75 1k1x s GLY 84 Ca 0.00 0.78 -0.09 0.00 0.00 0.00 0.00 44.72 45.41 1k1x s GLY 84 CO 0.00 1.92 1.53 0.33 0.00 0.00 0.00 173.10 176.88 1k1x n PHE 85 N 3.72 0.31 -0.70 1.90 7.35 -0.16 -0.90 117.46 128.97 1k1x n PHE 85 Ca 0.08 1.20 -0.16 0.00 -0.76 0.00 0.00 57.45 57.80 1k1x n PHE 85 Cb 0.47 -1.04 0.16 0.00 0.35 0.00 0.00 39.48 39.42 1k1x n PHE 85 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1k1x n TYR 86 N -5.58 2.31 -3.86 -5.13 4.02 -1.26 -0.42 117.16 107.24 1k1x n TYR 86 Ca 0.15 -1.44 -0.25 0.00 -0.01 0.00 0.00 57.90 56.35 1k1x n TYR 86 Cb 0.48 -0.75 0.00 0.00 -0.02 0.00 0.00 39.34 39.05 1k1x n TYR 86 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1k1x n GLU 87 N -0.64 -4.16 -2.60 -0.72 -0.58 -0.08 -3.83 120.64 108.04 1k1x n GLU 87 Ca 0.44 0.51 -0.28 0.00 -0.42 0.00 0.00 57.16 57.40 1k1x n GLU 87 Cb 1.37 -4.91 -0.01 0.00 -0.57 0.00 0.00 31.44 27.32 1k1x n GLU 87 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1k1x s PRO 88 N -6.34 3.60 -0.47 3.49 0.04 -1.25 -2.15 135.00 131.91 1k1x s PRO 88 Ca 0.10 0.33 -0.28 0.00 0.04 0.00 0.00 61.00 61.19 1k1x s PRO 88 Cb -0.05 -2.34 0.03 0.00 0.04 0.00 0.00 34.50 32.17 1k1x s PRO 88 CO 0.85 -0.21 1.09 0.08 0.04 0.00 0.00 177.00 178.85 1k1x s VAL 89 N -2.71 4.27 0.26 -0.36 1.01 -1.26 -4.70 120.40 116.91 1k1x s VAL 89 Ca 0.49 1.10 -0.05 0.00 0.00 0.00 0.00 61.98 63.53 1k1x s VAL 89 Cb -0.10 -4.56 0.29 0.00 0.00 0.00 0.00 36.38 32.01 1k1x s VAL 89 CO 0.43 -0.97 1.63 -0.07 0.00 0.00 0.00 175.10 176.12 1k1x h LEU 90 N 11.07 -0.29 -1.86 3.92 3.38 -1.89 0.45 115.31 130.07 1k1x h LEU 90 Ca -0.23 0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1k1x h LEU 90 Cb 1.06 0.34 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1k1x h LEU 90 CO 1.10 -0.18 0.00 0.00 0.09 0.00 0.00 178.44 179.45 1k1x h ALA 91 N 1.74 1.00 -0.68 1.53 0.00 -1.91 -2.68 119.26 118.26 1k1x h ALA 91 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1k1x h ALA 91 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1k1x h ALA 91 CO -0.68 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.57 1k1x n ALA 92 N -1.90 2.37 -2.56 0.00 0.00 0.15 -4.95 120.51 113.61 1k1x n ALA 92 Ca -0.01 -1.26 -0.19 0.00 0.00 0.00 0.00 53.44 51.97 1k1x n ALA 92 Cb 0.08 -0.89 -0.12 0.00 0.00 0.00 0.00 19.45 18.53 1k1x n ALA 92 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1k1x s ILE 93 N -1.04 1.31 0.29 0.00 -4.36 -1.01 -5.00 121.20 111.39 1k1x s ILE 93 Ca 0.46 -1.57 -0.27 0.00 -0.26 0.00 0.00 60.65 59.01 1k1x s ILE 93 Cb 0.24 -1.39 -0.14 0.00 1.25 0.00 0.00 42.46 42.42 1k1x s ILE 93 CO 0.32 -0.31 0.90 -2.65 0.24 0.00 0.00 174.94 173.44 1k1x n PRO 94 N 0.83 1.09 -0.35 0.37 -0.02 -1.26 -4.75 135.00 130.90 1k1x n PRO 94 Ca -0.18 0.38 0.09 0.00 -2.02 0.00 0.00 63.50 61.78 1k1x n PRO 94 Cb 0.56 -1.70 0.28 0.00 -0.02 0.00 0.00 33.50 32.62 1k1x n PRO 94 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1k1x h LYS 95 N 1.73 0.87 -0.58 -0.52 2.10 -1.98 -0.53 116.57 117.65 1k1x h LYS 95 Ca -0.38 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.20 1k1x h LYS 95 Cb 1.36 -0.20 -0.03 0.00 -0.90 0.00 0.00 32.23 32.46 1k1x h LYS 95 CO 0.59 0.58 0.27 0.93 -2.00 0.00 0.00 179.45 179.82 1k1x h GLU 96 N 0.90 0.82 -0.01 0.07 3.07 -2.02 -1.99 114.58 115.43 1k1x h GLU 96 Ca 0.52 -0.11 -0.12 0.00 -0.50 0.00 0.00 59.36 59.15 1k1x h GLU 96 Cb 0.63 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 1k1x h GLU 96 CO -0.29 0.64 -0.56 -0.44 -1.40 0.00 0.00 179.01 176.96 1k1x h ASP 97 N 0.82 0.04 -0.51 1.42 3.45 -1.46 -3.08 116.42 117.10 1k1x h ASP 97 Ca 0.20 -0.02 0.02 0.00 0.43 0.00 0.00 57.03 57.66 1k1x h ASP 97 Cb 0.10 -0.01 -0.03 0.00 -0.56 0.00 0.00 39.33 38.82 1k1x h ASP 97 CO -0.03 0.59 0.31 0.03 -1.57 0.00 0.00 179.24 178.58 1k1x h ARG 98 N 0.03 0.60 0.47 3.56 3.08 -0.72 -0.13 114.38 121.27 1k1x h ARG 98 Ca -0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1k1x h ARG 98 Cb 1.01 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1k1x h ARG 98 CO 0.08 0.40 -0.23 1.25 -1.07 0.00 0.00 179.97 180.40 1k1x h LEU 99 N 0.62 -0.54 -0.64 3.04 7.12 -1.44 -1.33 115.31 122.15 1k1x h LEU 99 Ca 0.20 0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.24 1k1x h LEU 99 Cb 0.01 0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 40.24 1k1x h LEU 99 CO -0.09 -0.37 0.41 0.58 -0.13 0.00 0.00 178.44 178.85 1k1x h VAL 100 N -0.66 1.13 -0.17 1.05 2.07 -1.48 -0.37 116.25 117.82 1k1x h VAL 100 Ca -0.06 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.19 1k1x h VAL 100 Cb 0.50 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1k1x h VAL 100 CO 0.11 0.15 0.06 1.56 0.02 0.00 0.00 177.57 179.47 1k1x h GLN 101 N 0.83 0.14 -0.32 1.57 1.08 -0.92 -1.56 115.11 115.93 1k1x h GLN 101 Ca 0.24 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.37 1k1x h GLN 101 Cb -0.05 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1k1x h GLN 101 CO -0.07 0.09 -0.06 0.82 -0.95 0.00 0.00 178.83 178.66 1k1x h ILE 102 N 0.15 1.28 -0.09 2.54 2.04 -1.02 -0.37 117.51 122.04 1k1x h ILE 102 Ca 0.07 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 1k1x h ILE 102 Cb 0.04 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1k1x h ILE 102 CO -0.08 0.36 -0.01 -0.08 0.00 0.00 0.00 178.15 178.34 1k1x h GLU 103 N 0.39 0.13 -0.62 2.37 4.57 -0.93 -0.79 114.58 119.70 1k1x h GLU 103 Ca 0.08 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.17 1k1x h GLU 103 Cb 0.55 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 1k1x h GLU 103 CO 0.03 0.16 0.08 0.52 -1.18 0.00 0.00 179.01 178.62 1k1x h MET 104 N 0.13 1.02 0.00 1.92 2.86 -1.17 -1.07 114.93 118.62 1k1x h MET 104 Ca 0.03 -0.27 -0.15 0.00 -2.06 0.00 0.00 59.70 57.25 1k1x h MET 104 Cb 0.12 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1k1x h MET 104 CO 0.00 0.95 -0.70 1.25 1.06 0.00 0.00 176.91 179.47 1k1x h LEU 105 N 0.95 0.00 -0.86 1.22 5.85 -1.35 -2.71 115.31 118.41 1k1x h LEU 105 Ca 0.19 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.79 1k1x h LEU 105 Cb 0.44 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1k1x h LEU 105 CO 0.01 0.70 -0.54 0.11 -0.34 0.00 0.00 178.44 178.39 1k1x h LYS 106 N 0.00 0.08 -0.35 1.25 1.57 -0.92 -0.66 116.57 117.54 1k1x h LYS 106 Ca -0.01 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 1k1x h LYS 106 Cb 1.52 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.83 1k1x h LYS 106 CO 0.09 0.60 -0.37 0.22 -0.57 0.00 0.00 179.45 179.42 1k1x h ASP 107 N 0.06 0.88 -0.34 0.86 1.82 -1.07 -1.39 116.42 117.23 1k1x h ASP 107 Ca -0.00 -0.39 -0.10 0.00 -0.39 0.00 0.00 57.03 56.15 1k1x h ASP 107 Cb 0.97 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.73 1k1x h ASP 107 CO 0.07 1.15 -0.16 0.22 -1.61 0.00 0.00 179.24 178.91 1k1x h TYR 108 N 0.68 0.82 -0.60 0.28 3.20 -1.13 -2.27 116.97 117.95 1k1x h TYR 108 Ca 0.06 -0.20 -0.00 0.00 3.14 0.00 0.00 58.73 61.72 1k1x h TYR 108 Cb 0.94 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 1k1x h TYR 108 CO 0.05 0.92 0.36 0.00 -1.64 0.00 0.00 178.16 177.85 1k1x h ALA 109 N 0.78 1.51 -0.83 1.82 0.00 -1.04 -0.33 119.26 121.17 1k1x h ALA 109 Ca 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1k1x h ALA 109 Cb 0.70 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1k1x h ALA 109 CO 0.05 0.43 0.44 -0.09 0.00 0.00 0.00 179.25 180.08 1k1x h ARG 110 N 0.82 1.15 0.00 0.00 2.43 -0.99 -0.93 114.38 116.87 1k1x h ARG 110 Ca 0.22 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1k1x h ARG 110 Cb -0.04 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.29 1k1x h ARG 110 CO -0.04 0.85 0.00 1.63 -1.51 0.00 0.00 179.97 180.90 1k1x n LYS 111 N -4.34 0.20 0.00 0.20 5.02 -0.16 -1.13 118.16 117.95 1k1x n LYS 111 Ca 0.09 0.45 0.12 0.00 -2.02 0.00 0.00 58.31 56.95 1k1x n LYS 111 Cb 0.10 -1.90 0.25 0.00 -0.02 0.00 0.00 35.03 33.47 1k1x n LYS 111 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1k1x n LEU 112 N -2.28 1.26 0.00 -0.35 4.77 -0.41 -4.94 117.00 115.04 1k1x n LEU 112 Ca 0.02 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1k1x n LEU 112 Cb 0.21 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1k1x n LEU 112 CO 0.19 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1k1x n GLY 113 N 1.38 1.35 2.91 -0.72 0.00 -0.29 -4.50 105.19 105.32 1k1x n GLY 113 Ca 0.11 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 1k1x n GLY 113 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1k1x s TYR 114 N -2.00 0.36 -0.82 1.61 5.04 -0.85 -4.93 117.35 115.75 1k1x s TYR 114 Ca 0.00 -0.06 -0.17 0.00 -2.44 0.00 0.00 57.07 54.40 1k1x s TYR 114 Cb 0.00 -0.28 0.15 0.00 0.35 0.00 0.00 41.96 42.18 1k1x s TYR 114 CO 0.00 -0.04 0.93 -0.51 -1.34 0.00 0.00 175.55 174.59 1k1x s ASP 115 N 0.16 6.57 0.22 4.32 1.01 -1.26 -2.94 116.67 124.75 1k1x s ASP 115 Ca -0.01 -2.09 -0.32 0.00 0.71 0.00 0.00 52.55 50.84 1k1x s ASP 115 Cb -0.04 -2.32 -0.12 0.00 1.01 0.00 0.00 42.92 41.44 1k1x s ASP 115 CO -0.00 -0.94 1.63 0.00 0.21 0.00 0.00 175.17 176.07 1k1x n ALA 116 N 5.75 2.28 -0.02 5.23 0.00 -1.26 -4.89 120.51 127.60 1k1x n ALA 116 Ca 0.13 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1k1x n ALA 116 Cb 0.47 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1k1x n ALA 116 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1k1x n LYS 117 N 3.18 5.05 -4.41 0.00 4.76 -1.26 -4.87 118.16 120.61 1k1x n LYS 117 Ca 0.14 -0.05 -0.27 0.00 -2.87 0.00 0.00 58.31 55.26 1k1x n LYS 117 Cb 0.34 -0.49 -0.11 0.00 -1.84 0.00 0.00 35.03 32.93 1k1x n LYS 117 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1k1x s GLY 118 N -0.74 1.72 -0.07 0.72 0.00 -1.26 -0.16 107.32 107.53 1k1x s GLY 118 Ca 0.00 -1.63 0.04 0.00 0.00 0.00 0.00 44.72 43.13 1k1x s GLY 118 CO 0.00 -1.66 -0.20 0.14 0.00 0.00 0.00 173.10 171.38 1k1x s VAL 119 N -1.72 1.70 -0.28 1.40 1.01 -0.10 -1.36 120.40 121.05 1k1x s VAL 119 Ca 0.22 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 1k1x s VAL 119 Cb -0.08 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 1k1x s VAL 119 CO 0.11 0.48 0.65 0.86 0.00 0.00 0.00 175.10 177.20 1k1x s TRP 120 N 0.25 3.24 -0.31 5.22 -0.11 0.11 -1.24 118.94 126.10 1k1x s TRP 120 Ca -0.12 0.71 -0.29 0.00 1.22 0.00 0.00 56.10 57.63 1k1x s TRP 120 Cb -0.15 -2.96 -0.00 0.00 -1.50 0.00 0.00 33.47 28.86 1k1x s TRP 120 CO 0.05 -0.42 1.41 -1.17 -4.62 0.00 0.00 176.95 172.20 1k1x s LEU 121 N 2.61 3.80 -0.07 5.86 0.20 -1.23 -4.62 118.68 125.23 1k1x s LEU 121 Ca 0.27 1.20 -0.31 0.00 0.69 0.00 0.00 54.13 55.97 1k1x s LEU 121 Cb -0.15 -3.54 -0.09 0.00 -0.43 0.00 0.00 46.19 41.98 1k1x s LEU 121 CO 0.10 -1.22 2.00 0.41 -0.29 0.00 0.00 176.35 177.35 1k1x n THR 122 N 6.50 0.61 -1.55 3.68 -1.04 -1.26 0.11 114.28 121.33 1k1x n THR 122 Ca 0.16 -0.19 -0.19 0.00 -2.04 0.00 0.00 64.05 61.80 1k1x n THR 122 Cb 0.47 -2.17 -0.08 0.00 -1.82 0.00 0.00 70.33 66.72 1k1x n THR 122 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1k1x n GLU 123 N 7.48 -1.51 -3.75 -2.82 -0.58 -1.26 -2.99 120.64 115.21 1k1x n GLU 123 Ca 0.24 1.16 -0.28 0.00 -0.42 0.00 0.00 57.16 57.86 1k1x n GLU 123 Cb 0.37 -5.56 -0.02 0.00 -0.57 0.00 0.00 31.44 25.65 1k1x n GLU 123 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1k1x n ARG 124 N -2.05 -2.79 -2.70 3.49 3.00 0.12 -4.42 116.66 111.30 1k1x n ARG 124 Ca -0.19 0.33 -0.42 0.00 -0.01 0.00 0.00 57.85 57.56 1k1x n ARG 124 Cb 0.67 -5.00 -0.03 0.00 0.00 0.00 0.00 32.46 28.09 1k1x n ARG 124 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1k1x s VAL 125 N -2.99 4.17 -0.06 1.55 1.01 -1.16 -3.78 120.40 119.13 1k1x s VAL 125 Ca 0.54 0.57 -0.08 0.00 0.00 0.00 0.00 61.98 63.01 1k1x s VAL 125 Cb -0.30 -4.66 -0.05 0.00 0.00 0.00 0.00 36.38 31.38 1k1x s VAL 125 CO 0.67 -1.28 0.23 0.86 0.00 0.00 0.00 175.10 175.57 1k1x s TRP 126 N 4.55 3.62 -0.04 5.22 -0.11 -0.28 -4.62 118.94 127.28 1k1x s TRP 126 Ca 0.36 0.63 -0.03 0.00 1.22 0.00 0.00 56.10 58.29 1k1x s TRP 126 Cb -0.10 -2.02 0.02 0.00 -1.50 0.00 0.00 33.47 29.87 1k1x s TRP 126 CO 0.22 0.69 0.11 -0.65 -4.62 0.00 0.00 176.95 172.69 1k1x s GLN 127 N -1.23 0.10 0.27 5.86 -0.21 -1.26 -3.22 119.66 119.97 1k1x s GLN 127 Ca 0.20 0.21 -0.01 0.00 0.02 0.00 0.00 55.36 55.78 1k1x s GLN 127 Cb -0.13 -0.03 0.60 0.00 1.00 0.00 0.00 33.01 34.45 1k1x s GLN 127 CO 0.09 -0.07 1.67 -1.35 -2.12 0.00 0.00 175.29 173.51 1k1x h PRO 128 N 6.45 0.25 0.00 2.91 0.11 -1.89 -1.54 132.00 138.28 1k1x h PRO 128 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1k1x h PRO 128 Cb 1.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1k1x h PRO 128 CO 0.44 0.17 0.00 0.39 -0.21 0.00 0.00 178.00 178.79 1k1x n GLU 129 N -5.17 0.11 0.13 1.05 1.02 -1.26 -2.22 120.64 114.29 1k1x n GLU 129 Ca 0.18 0.22 0.11 0.00 -0.02 0.00 0.00 57.16 57.66 1k1x n GLU 129 Cb 0.58 -1.50 0.49 0.00 -0.02 0.00 0.00 31.44 30.99 1k1x n GLU 129 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1k1x n LEU 130 N -1.32 0.62 -0.19 -4.62 4.77 -0.58 -2.60 117.00 113.08 1k1x n LEU 130 Ca 0.04 0.67 -0.08 0.00 -0.03 0.00 0.00 56.01 56.60 1k1x n LEU 130 Cb 0.08 -0.60 0.02 0.00 -2.33 0.00 0.00 43.42 40.58 1k1x n LEU 130 CO 0.07 -0.60 0.91 0.58 -1.33 0.00 0.00 177.39 177.02 1k1x h VAL 131 N 0.00 1.24 0.51 4.08 2.07 -1.66 -1.42 116.25 121.08 1k1x h VAL 131 Ca 0.00 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1k1x h VAL 131 Cb 0.31 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1k1x h VAL 131 CO 0.00 0.31 -0.25 0.50 0.02 0.00 0.00 177.57 178.16 1k1x h LYS 132 N 0.76 -0.67 -0.15 1.57 1.63 -1.75 -1.82 116.57 116.14 1k1x h LYS 132 Ca 0.17 0.05 0.05 0.00 -0.85 0.00 0.00 60.65 60.06 1k1x h LYS 132 Cb 0.32 0.15 -0.05 0.00 -0.60 0.00 0.00 32.23 32.05 1k1x h LYS 132 CO 0.00 -0.43 -0.20 0.77 -3.45 0.00 0.00 179.45 176.14 1k1x h SER 133 N -0.72 -0.63 -1.00 4.20 0.02 -1.60 -0.47 113.55 113.35 1k1x h SER 133 Ca -0.07 0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1k1x h SER 133 Cb 0.54 0.29 -0.05 0.00 0.14 0.00 0.00 62.40 63.32 1k1x h SER 133 CO 0.12 -0.25 0.66 -0.07 -1.14 0.00 0.00 176.83 176.15 1k1x h LEU 134 N -0.25 1.14 -0.61 5.07 3.38 -1.26 -2.22 115.31 120.57 1k1x h LEU 134 Ca 0.10 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1k1x h LEU 134 Cb 0.40 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1k1x h LEU 134 CO -0.29 0.82 -0.01 -0.09 0.09 0.00 0.00 178.44 178.96 1k1x h ARG 135 N 1.35 1.08 0.00 1.13 9.65 -0.85 -0.42 114.38 126.32 1k1x h ARG 135 Ca 0.37 -0.35 -0.04 0.00 -1.10 0.00 0.00 59.98 58.87 1k1x h ARG 135 Cb -0.13 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.34 1k1x h ARG 135 CO -0.09 1.05 -0.18 0.93 2.80 0.00 0.00 179.97 184.49 1k1x h GLU 136 N 0.98 0.00 -0.00 0.20 5.08 -0.61 -1.28 114.58 118.94 1k1x h GLU 136 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1k1x h GLU 136 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1k1x h GLU 136 CO 0.03 0.18 -0.09 0.00 -1.00 0.00 0.00 179.01 178.12 1k1x n ALA 137 N -2.30 2.72 -0.89 3.43 0.00 -0.88 -4.91 120.51 117.68 1k1x n ALA 137 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1k1x n ALA 137 Cb 0.30 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1k1x n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k1x n GLY 138 N 1.28 0.54 3.75 0.00 0.00 -0.48 -4.93 105.19 105.35 1k1x n GLY 138 Ca 0.14 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 1k1x n GLY 138 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k1x s ILE 139 N -2.00 5.08 -0.10 -0.61 -1.09 -0.21 -4.79 121.20 117.48 1k1x s ILE 139 Ca 0.00 1.07 0.21 0.00 -2.23 0.00 0.00 60.65 59.70 1k1x s ILE 139 Cb 0.00 -3.86 -0.25 0.00 -1.58 0.00 0.00 42.46 36.78 1k1x s ILE 139 CO 0.00 0.37 0.57 -0.62 -1.23 0.00 0.00 174.94 174.04 1k1x n GLU 140 N 3.21 0.65 -3.76 2.79 1.02 0.77 -4.27 120.64 121.06 1k1x n GLU 140 Ca -0.07 -0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 56.87 1k1x n GLU 140 Cb 0.51 -1.60 -0.08 0.00 -0.02 0.00 0.00 31.44 30.25 1k1x n GLU 140 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1k1x s TYR 141 N -3.33 -0.12 0.06 -0.32 -0.85 -0.98 -2.00 117.35 109.81 1k1x s TYR 141 Ca -0.06 0.04 0.05 0.00 -0.52 0.00 0.00 57.07 56.58 1k1x s TYR 141 Cb 0.12 0.09 -0.03 0.00 0.38 0.00 0.00 41.96 42.52 1k1x s TYR 141 CO 0.87 -0.47 -0.15 0.54 -1.52 0.00 0.00 175.55 174.82 1k1x s VAL 142 N -2.20 1.16 -0.18 -3.49 0.11 -0.75 -0.92 120.40 114.13 1k1x s VAL 142 Ca -0.07 -1.19 -0.09 0.00 -2.93 0.00 0.00 61.98 57.70 1k1x s VAL 142 Cb -0.02 -1.08 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 1k1x s VAL 142 CO -0.01 -0.11 0.12 -0.69 -3.33 0.00 0.00 175.10 171.08 1k1x s VAL 143 N -1.07 5.32 0.20 2.04 1.01 -0.37 -2.35 120.40 125.18 1k1x s VAL 143 Ca 0.00 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1k1x s VAL 143 Cb -0.09 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1k1x s VAL 143 CO 0.02 0.48 0.14 0.55 0.00 0.00 0.00 175.10 176.29 1k1x n VAL 144 N 3.24 0.00 -3.98 2.92 3.14 -0.10 -3.54 118.33 120.00 1k1x n VAL 144 Ca -0.17 -1.38 -0.21 0.00 -2.96 0.00 0.00 64.34 59.62 1k1x n VAL 144 Cb 0.53 0.65 -0.02 0.00 -1.06 0.00 0.00 33.84 33.93 1k1x n VAL 144 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1k1x s ASP 145 N -2.35 6.24 0.47 6.55 1.01 -1.26 0.58 116.67 127.91 1k1x s ASP 145 Ca 0.20 0.04 0.17 0.00 0.71 0.00 0.00 52.55 53.68 1k1x s ASP 145 Cb 0.01 -1.82 1.10 0.00 1.01 0.00 0.00 42.92 43.23 1k1x s ASP 145 CO 0.14 -0.06 2.02 -2.24 0.21 0.00 0.00 175.17 175.24 1k1x h ASP 146 N 1.25 0.00 -0.58 0.27 3.04 -1.58 -2.36 116.42 116.45 1k1x h ASP 146 Ca -0.51 0.00 0.08 0.00 -3.24 0.00 0.00 57.03 53.36 1k1x h ASP 146 Cb 1.23 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.48 1k1x h ASP 146 CO 0.61 0.16 0.39 0.22 -2.04 0.00 0.00 179.24 178.59 1k1x h TYR 147 N 0.00 0.48 -0.75 4.15 3.20 -1.90 -0.81 116.97 121.34 1k1x h TYR 147 Ca -0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1k1x h TYR 147 Cb 0.31 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1k1x h TYR 147 CO 0.00 0.25 0.34 0.45 -1.64 0.00 0.00 178.16 177.56 1k1x h HIS 148 N 0.47 1.10 -0.20 -3.82 3.86 -1.67 -0.61 115.15 114.28 1k1x h HIS 148 Ca 0.26 -0.06 -0.14 0.00 -1.16 0.00 0.00 60.37 59.27 1k1x h HIS 148 Cb 0.42 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1k1x h HIS 148 CO -0.00 0.82 -0.47 0.74 0.86 0.00 0.00 177.93 179.88 1k1x h PHE 149 N 1.06 0.63 -0.20 2.45 -1.00 -1.29 -2.53 116.94 116.07 1k1x h PHE 149 Ca 0.26 -0.20 -0.10 0.00 2.81 0.00 0.00 57.97 60.74 1k1x h PHE 149 Cb 0.15 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.57 1k1x h PHE 149 CO 0.01 0.89 -0.30 0.52 -1.61 0.00 0.00 178.31 177.82 1k1x h MET 150 N 0.41 0.40 0.00 1.51 2.86 -0.92 -1.31 114.93 117.88 1k1x h MET 150 Ca 0.02 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 1k1x h MET 150 Cb 0.98 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 1k1x h MET 150 CO 0.09 0.66 -0.29 0.77 1.06 0.00 0.00 176.91 179.20 1k1x h SER 151 N 0.35 0.00 0.93 1.22 0.02 -0.91 -2.52 113.55 112.64 1k1x h SER 151 Ca 0.05 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.84 1k1x h SER 151 Cb 0.71 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1k1x h SER 151 CO 0.05 0.29 -0.76 0.00 -1.14 0.00 0.00 176.83 175.28 1k1x h ALA 152 N 1.71 0.65 0.00 3.77 0.00 -0.98 -3.46 119.26 120.94 1k1x h ALA 152 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1k1x h ALA 152 Cb 0.80 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1k1x h ALA 152 CO 0.04 0.94 0.00 0.41 0.00 0.00 0.00 179.25 180.64 1k1x n GLY 153 N 0.88 0.28 3.85 0.00 0.00 -0.88 -5.03 105.19 104.29 1k1x n GLY 153 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1k1x n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k1x s LEU 154 N 0.00 3.76 0.33 0.99 1.43 -0.55 -4.97 118.68 119.67 1k1x s LEU 154 Ca 0.00 1.43 -0.04 0.00 -1.03 0.00 0.00 54.13 54.49 1k1x s LEU 154 Cb 0.00 -4.33 -0.05 0.00 0.03 0.00 0.00 46.19 41.85 1k1x s LEU 154 CO 0.00 -0.47 0.58 -0.94 0.23 0.00 0.00 176.35 175.75 1k1x s SER 155 N -2.91 6.39 0.41 2.29 1.04 -1.26 -3.96 113.70 115.69 1k1x s SER 155 Ca 0.57 0.68 0.14 0.00 0.48 0.00 0.00 55.95 57.82 1k1x s SER 155 Cb -0.10 -2.13 0.99 0.00 0.10 0.00 0.00 66.02 64.88 1k1x s SER 155 CO 0.28 -0.27 1.90 0.50 0.98 0.00 0.00 173.24 176.63 1k1x h LYS 156 N 1.28 0.48 0.00 4.02 1.63 -1.97 -1.87 116.57 120.13 1k1x h LYS 156 Ca -0.48 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 1k1x h LYS 156 Cb 1.20 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 1k1x h LYS 156 CO 0.64 0.31 0.00 0.93 -3.45 0.00 0.00 179.45 177.89 1k1x h GLU 157 N 0.49 0.00 -0.40 1.90 4.39 -2.04 -1.78 114.58 117.14 1k1x h GLU 157 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1k1x h GLU 157 Cb 0.84 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1k1x h GLU 157 CO -0.15 0.00 0.00 -0.85 -1.16 0.00 0.00 179.01 176.85 1k1x n GLU 158 N -2.64 3.45 -0.79 2.33 0.28 -0.70 -4.49 120.64 118.08 1k1x n GLU 158 Ca -0.01 -2.79 -0.02 0.00 -0.16 0.00 0.00 57.16 54.18 1k1x n GLU 158 Cb 0.12 -1.85 0.26 0.00 1.43 0.00 0.00 31.44 31.41 1k1x n GLU 158 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1k1x n LEU 159 N 0.16 4.92 -2.07 -1.84 4.77 -0.67 -4.52 117.00 117.75 1k1x n LEU 159 Ca 0.22 -3.32 -0.26 0.00 -0.03 0.00 0.00 56.01 52.62 1k1x n LEU 159 Cb 0.88 -0.66 0.12 0.00 -2.33 0.00 0.00 43.42 41.43 1k1x n LEU 159 CO 0.19 0.89 1.10 0.49 -1.33 0.00 0.00 177.39 178.73 1k1x n PHE 160 N -0.57 2.77 -3.61 -1.77 3.01 -1.26 -4.80 117.46 111.23 1k1x n PHE 160 Ca 0.34 -2.38 -0.16 0.00 1.01 0.00 0.00 57.45 56.25 1k1x n PHE 160 Cb 1.16 -1.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.55 1k1x n PHE 160 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1k1x s TRP 161 N -3.57 -0.49 0.73 1.38 0.51 -1.26 -0.26 118.94 115.99 1k1x s TRP 161 Ca 0.58 0.83 -0.11 0.00 -2.12 0.00 0.00 56.10 55.27 1k1x s TRP 161 Cb 0.47 0.29 0.03 0.00 -0.81 0.00 0.00 33.47 33.45 1k1x s TRP 161 CO 0.03 -0.52 1.10 -1.25 -0.51 0.00 0.00 176.95 175.80 1k1x s PRO 162 N -1.19 2.64 0.21 4.98 0.04 -1.26 -4.72 135.00 135.70 1k1x s PRO 162 Ca -0.12 0.51 0.02 0.00 0.04 0.00 0.00 61.00 61.45 1k1x s PRO 162 Cb -0.02 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1k1x s PRO 162 CO 0.08 -1.20 0.03 0.71 0.04 0.00 0.00 177.00 176.66 1k1x s TYR 163 N -3.31 1.37 0.33 0.56 1.51 -0.09 -1.96 117.35 115.76 1k1x s TYR 163 Ca 0.59 -1.05 0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1k1x s TYR 163 Cb -0.12 -0.79 -0.03 0.00 -0.11 0.00 0.00 41.96 40.91 1k1x s TYR 163 CO 0.52 -0.22 0.53 0.71 -1.11 0.00 0.00 175.55 175.99 1k1x s TYR 164 N -3.64 3.50 -0.08 2.71 1.51 0.11 0.57 117.35 122.02 1k1x s TYR 164 Ca 0.29 0.33 -0.13 0.00 -1.01 0.00 0.00 57.07 56.55 1k1x s TYR 164 Cb 0.06 -1.88 0.03 0.00 -0.11 0.00 0.00 41.96 40.07 1k1x s TYR 164 CO 0.08 0.16 0.32 -0.08 -1.11 0.00 0.00 175.55 174.91 1k1x s THR 165 N -2.27 0.02 0.15 -0.71 -1.32 -0.82 -1.24 115.64 109.46 1k1x s THR 165 Ca 0.40 -0.19 0.04 0.00 -1.21 0.00 0.00 61.69 60.73 1k1x s THR 165 Cb -0.10 -0.52 -0.04 0.00 -1.51 0.00 0.00 72.50 70.33 1k1x s THR 165 CO 0.35 -0.11 -0.10 -1.83 -2.21 0.00 0.00 174.62 170.73 1k1x s GLU 166 N -0.42 1.07 -0.29 7.08 4.04 -1.26 -1.84 118.70 127.09 1k1x s GLU 166 Ca -0.05 -1.46 -0.20 0.00 0.04 0.00 0.00 54.97 53.29 1k1x s GLU 166 Cb -0.04 -0.63 0.15 0.00 0.02 0.00 0.00 34.13 33.63 1k1x s GLU 166 CO 0.02 0.07 1.06 0.34 -1.84 0.00 0.00 175.26 174.91 1k1x s ASP 167 N -3.18 -0.41 -1.57 0.83 -1.08 -0.12 -4.93 116.67 106.21 1k1x s ASP 167 Ca 0.17 0.71 0.00 0.00 -0.52 0.00 0.00 52.55 52.91 1k1x s ASP 167 Cb 0.03 0.97 0.00 0.00 -1.46 0.00 0.00 42.92 42.45 1k1x s ASP 167 CO 0.01 -0.12 0.00 0.61 0.52 0.00 0.00 175.17 176.19 1k1x n GLY 168 N 2.92 1.21 3.00 2.66 0.00 -1.26 -1.28 105.19 112.43 1k1x n GLY 168 Ca -0.15 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1k1x n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1x n GLY 169 N -1.07 1.74 3.85 -0.02 0.00 -1.26 -5.00 105.19 103.41 1k1x n GLY 169 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1k1x n GLY 169 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k1x s GLU 170 N -0.00 3.28 0.20 1.61 2.02 -0.41 -5.11 118.70 120.29 1k1x s GLU 170 Ca 0.00 -0.36 0.10 0.00 0.02 0.00 0.00 54.97 54.73 1k1x s GLU 170 Cb 0.00 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.18 1k1x s GLU 170 CO 0.00 0.68 -0.21 0.14 0.02 0.00 0.00 175.26 175.89 1k1x s VAL 171 N -1.22 2.16 -0.00 2.63 -7.23 -1.26 -0.94 120.40 114.53 1k1x s VAL 171 Ca 0.23 -2.07 -0.11 0.00 -1.81 0.00 0.00 61.98 58.23 1k1x s VAL 171 Cb -0.12 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.77 1k1x s VAL 171 CO 0.14 -0.26 0.22 -0.51 -0.31 0.00 0.00 175.10 174.38 1k1x s ILE 172 N -2.02 0.07 0.29 -0.62 2.07 -0.76 -4.98 121.20 115.26 1k1x s ILE 172 Ca 0.21 -0.60 -0.18 0.00 -1.41 0.00 0.00 60.65 58.66 1k1x s ILE 172 Cb -0.06 -0.53 -0.09 0.00 0.13 0.00 0.00 42.46 41.91 1k1x s ILE 172 CO 0.09 -0.33 0.76 -0.89 -1.91 0.00 0.00 174.94 172.67 1k1x s THR 173 N -1.40 4.58 -0.07 4.00 2.01 -0.85 -1.94 115.64 121.96 1k1x s THR 173 Ca -0.14 1.19 0.00 0.00 0.31 0.00 0.00 61.69 63.05 1k1x s THR 173 Cb -0.06 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.74 1k1x s THR 173 CO 0.03 -0.02 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.20 1k1x s VAL 174 N -1.80 0.70 -0.17 3.82 1.01 0.19 -1.81 120.40 122.35 1k1x s VAL 174 Ca 0.50 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 62.27 1k1x s VAL 174 Cb -0.13 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1k1x s VAL 174 CO 0.19 0.29 0.08 -0.36 0.00 0.00 0.00 175.10 175.30 1k1x s PHE 175 N 1.43 3.33 -0.12 5.22 0.40 -0.99 -0.91 117.98 126.33 1k1x s PHE 175 Ca -0.02 0.20 -0.15 0.00 -0.60 0.00 0.00 56.93 56.36 1k1x s PHE 175 Cb -0.13 -2.05 -0.05 0.00 0.51 0.00 0.00 43.02 41.30 1k1x s PHE 175 CO -0.03 0.29 0.35 -1.25 0.70 0.00 0.00 175.22 175.28 1k1x s PRO 176 N 0.06 4.18 -0.04 0.24 0.04 -1.26 -0.92 135.00 137.30 1k1x s PRO 176 Ca 0.07 0.23 -0.30 0.00 0.04 0.00 0.00 61.00 61.04 1k1x s PRO 176 Cb -0.12 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 1k1x s PRO 176 CO 0.00 0.32 0.98 0.42 0.04 0.00 0.00 177.00 178.76 1k1x s ILE 177 N 0.17 4.85 -0.33 0.56 1.01 0.20 -4.39 121.20 123.26 1k1x s ILE 177 Ca 0.20 2.03 -0.29 0.00 0.00 0.00 0.00 60.65 62.59 1k1x s ILE 177 Cb -0.14 -4.31 -0.00 0.00 0.01 0.00 0.00 42.46 38.02 1k1x s ILE 177 CO 0.07 0.11 1.41 -0.62 0.00 0.00 0.00 174.94 175.91 1k1x s ASP 178 N 1.03 6.47 0.33 3.58 -1.08 -0.15 -1.66 116.67 125.20 1k1x s ASP 178 Ca 0.50 1.14 0.05 0.00 -0.52 0.00 0.00 52.55 53.73 1k1x s ASP 178 Cb -0.20 -2.54 0.70 0.00 -1.46 0.00 0.00 42.92 39.42 1k1x s ASP 178 CO 0.24 -1.26 1.87 -0.08 0.52 0.00 0.00 175.17 176.46 1k1x h GLU 179 N 10.16 0.80 -0.31 4.34 4.81 -1.94 -1.69 114.58 130.76 1k1x h GLU 179 Ca -0.28 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 58.94 1k1x h GLU 179 Cb 1.11 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 1k1x h GLU 179 CO 1.05 0.53 0.10 0.87 -0.73 0.00 0.00 179.01 180.83 1k1x h LYS 180 N 0.83 0.23 -0.45 1.92 1.57 -1.96 -1.49 116.57 117.21 1k1x h LYS 180 Ca 0.45 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.24 1k1x h LYS 180 Cb 0.56 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1k1x h LYS 180 CO -0.21 0.15 0.30 -0.07 -0.57 0.00 0.00 179.45 179.05 1k1x h LEU 181 N 0.23 0.44 -1.06 2.94 3.38 -1.64 0.14 115.31 119.75 1k1x h LEU 181 Ca 0.14 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1k1x h LEU 181 Cb 0.12 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1k1x h LEU 181 CO -0.15 0.31 -0.11 0.03 0.09 0.00 0.00 178.44 178.61 1k1x h ARG 182 N 0.52 0.54 -0.21 1.13 3.08 -1.00 0.82 114.38 119.26 1k1x h ARG 182 Ca 0.18 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 1k1x h ARG 182 Cb 0.08 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1k1x h ARG 182 CO -0.04 0.65 -0.25 -0.92 -1.07 0.00 0.00 179.97 178.34 1k1x h TYR 183 N 0.50 0.66 -0.22 3.04 3.20 -0.04 -3.33 116.97 120.79 1k1x h TYR 183 Ca 0.09 -0.21 -0.20 0.00 3.14 0.00 0.00 58.73 61.56 1k1x h TYR 183 Cb 0.50 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1k1x h TYR 183 CO 0.02 0.91 -0.64 -0.07 -1.64 0.00 0.00 178.16 176.74 1k1x h LEU 184 N 0.23 0.88 -8.92 2.82 3.38 -0.72 -3.39 115.31 109.59 1k1x h LEU 184 Ca 0.03 -0.51 -0.63 0.00 0.09 0.00 0.00 57.88 56.85 1k1x h LEU 184 Cb 0.81 -0.26 -0.18 0.00 0.09 0.00 0.00 40.66 41.13 1k1x h LEU 184 CO 0.06 1.30 -0.57 -0.63 0.09 0.00 0.00 178.44 178.69 1k1x s ILE 185 N -3.95 4.77 -0.23 1.22 1.01 0.26 -1.58 121.20 122.70 1k1x s ILE 185 Ca -0.10 -0.03 0.16 0.00 0.00 0.00 0.00 60.65 60.69 1k1x s ILE 185 Cb 0.10 -3.20 0.44 0.00 0.01 0.00 0.00 42.46 39.81 1k1x s ILE 185 CO 0.89 0.38 1.33 -0.81 0.00 0.00 0.00 174.94 176.73 1k1x n PRO 186 N 4.28 2.55 0.22 2.79 -0.04 -1.26 -4.70 135.00 138.83 1k1x n PRO 186 Ca -0.16 -2.68 0.13 0.00 -0.04 0.00 0.00 63.50 60.76 1k1x n PRO 186 Cb 0.52 -1.69 0.29 0.00 -0.04 0.00 0.00 33.50 32.58 1k1x n PRO 186 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1k1x h PHE 187 N 1.35 0.00 -2.66 0.54 0.04 -1.77 -3.45 116.94 110.99 1k1x h PHE 187 Ca 0.00 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.27 1k1x h PHE 187 Cb 1.25 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.40 1k1x h PHE 187 CO 0.35 0.00 -0.32 1.03 -0.60 0.00 0.00 178.31 178.77 1k1x s ARG 188 N -3.28 3.49 0.39 1.51 1.81 -0.61 -5.04 118.95 117.21 1k1x s ARG 188 Ca 0.06 -0.45 -0.26 0.00 -1.72 0.00 0.00 55.73 53.36 1k1x s ARG 188 Cb 0.07 -2.80 -0.11 0.00 -0.45 0.00 0.00 34.95 31.65 1k1x s ARG 188 CO 0.63 0.34 1.27 -0.35 -0.68 0.00 0.00 175.30 176.51 1k1x n PRO 189 N -1.17 1.99 -0.28 3.54 -0.04 -1.26 -4.84 135.00 132.94 1k1x n PRO 189 Ca -0.06 0.70 0.06 0.00 -0.04 0.00 0.00 63.50 64.16 1k1x n PRO 189 Cb 0.55 -2.35 0.16 0.00 -0.04 0.00 0.00 33.50 31.82 1k1x n PRO 189 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1k1x h VAL 190 N 2.26 0.24 0.00 0.52 2.07 -1.92 0.23 116.25 119.66 1k1x h VAL 190 Ca -0.47 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1k1x h VAL 190 Cb 1.29 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1k1x h VAL 190 CO 0.61 0.01 0.00 0.07 0.02 0.00 0.00 177.57 178.28 1k1x h LYS 191 N 0.05 0.00 -0.13 1.57 2.10 -1.98 -1.35 116.57 116.84 1k1x h LYS 191 Ca 0.43 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.93 1k1x h LYS 191 Cb 0.75 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.07 1k1x h LYS 191 CO -0.76 0.00 -0.58 0.87 -2.00 0.00 0.00 179.45 176.98 1k1x h LYS 192 N 0.00 0.41 -0.03 0.07 1.79 -1.29 -0.75 116.57 116.78 1k1x h LYS 192 Ca 0.00 -0.27 -0.15 0.00 -2.18 0.00 0.00 60.65 58.05 1k1x h LYS 192 Cb 0.00 0.04 0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1k1x h LYS 192 CO 0.00 0.87 -0.56 1.15 -1.08 0.00 0.00 179.45 179.84 1k1x h THR 193 N 0.31 1.41 -0.92 -0.16 2.02 -1.36 -1.67 112.91 112.55 1k1x h THR 193 Ca -0.00 -1.99 0.07 0.00 0.77 0.00 0.00 66.41 65.26 1k1x h THR 193 Cb 1.10 2.49 -0.07 0.00 -1.74 0.00 0.00 68.15 69.93 1k1x h THR 193 CO 0.10 0.58 0.58 0.40 0.37 0.00 0.00 175.52 177.55 1k1x h ILE 194 N -0.06 1.03 -0.25 3.11 1.08 -1.46 0.17 117.51 121.14 1k1x h ILE 194 Ca -0.06 -0.35 -0.06 0.00 -0.39 0.00 0.00 64.86 64.00 1k1x h ILE 194 Cb 1.25 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 1k1x h ILE 194 CO 0.11 0.19 -0.08 -0.33 -0.69 0.00 0.00 178.15 177.35 1k1x h GLU 195 N 1.03 0.49 -0.49 2.37 5.08 -1.10 -1.16 114.58 120.80 1k1x h GLU 195 Ca 0.41 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1k1x h GLU 195 Cb 0.22 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1k1x h GLU 195 CO -0.19 0.73 0.22 -0.92 -1.00 0.00 0.00 179.01 177.85 1k1x h TYR 196 N 0.22 0.72 -0.26 4.33 3.20 -0.65 -2.56 116.97 121.97 1k1x h TYR 196 Ca 0.06 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 1k1x h TYR 196 Cb 0.56 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1k1x h TYR 196 CO 0.05 0.58 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.99 1k1x h LEU 197 N 0.65 0.54 -1.56 2.82 3.38 -0.68 -3.03 115.31 117.43 1k1x h LEU 197 Ca 0.17 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.81 1k1x h LEU 197 Cb 0.14 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1k1x h LEU 197 CO -0.02 0.81 0.38 -0.33 0.09 0.00 0.00 178.44 179.36 1k1x h GLU 198 N 0.27 0.52 0.00 1.13 5.08 -1.16 -0.42 114.58 120.01 1k1x h GLU 198 Ca 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1k1x h GLU 198 Cb 0.59 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1k1x h GLU 198 CO 0.03 0.35 0.00 -1.13 -1.00 0.00 0.00 179.01 177.26 1k1x n SER 199 N -4.47 0.00 0.08 1.42 3.41 -0.97 -2.94 113.62 110.15 1k1x n SER 199 Ca 0.08 0.18 0.12 0.00 -0.26 0.00 0.00 58.87 58.99 1k1x n SER 199 Cb 0.24 -0.36 0.05 0.00 -0.26 0.00 0.00 64.21 63.87 1k1x n SER 199 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1k1x n LEU 200 N -1.36 0.76 -4.42 1.04 4.77 -0.17 -4.96 117.00 112.65 1k1x n LEU 200 Ca 0.08 0.24 -0.35 0.00 -0.03 0.00 0.00 56.01 55.95 1k1x n LEU 200 Cb 0.18 -0.10 0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1k1x n LEU 200 CO 0.16 -0.11 -0.07 0.35 -1.33 0.00 0.00 177.39 176.39 1k1x n THR 201 N -2.40 1.21 -2.90 -5.08 -2.24 -1.15 -4.96 114.28 96.77 1k1x n THR 201 Ca 0.01 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1k1x n THR 201 Cb 0.50 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1k1x n THR 201 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1k1x n SER 202 N -0.23 0.00 -0.09 3.42 3.41 -1.25 -4.99 113.62 113.89 1k1x n SER 202 Ca 0.09 -0.77 0.14 0.00 -0.26 0.00 0.00 58.87 58.06 1k1x n SER 202 Cb 0.51 0.00 0.59 0.00 -0.26 0.00 0.00 64.21 65.05 1k1x n SER 202 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1k1x n ASP 203 N -0.67 0.39 -4.49 4.04 5.68 -1.26 -0.75 116.55 119.49 1k1x n ASP 203 Ca 0.00 -0.40 -0.43 0.00 -0.50 0.00 0.00 54.79 53.46 1k1x n ASP 203 Cb 0.00 -0.10 -0.08 0.00 -1.14 0.00 0.00 41.12 39.80 1k1x n ASP 203 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1k1x s ASP 204 N -2.58 6.23 0.36 -1.12 -1.08 -1.26 -4.81 116.67 112.41 1k1x s ASP 204 Ca 0.26 -0.63 0.27 0.00 -0.52 0.00 0.00 52.55 51.92 1k1x s ASP 204 Cb 0.20 -2.26 1.22 0.00 -1.46 0.00 0.00 42.92 40.62 1k1x s ASP 204 CO 0.50 -0.67 1.80 1.55 0.52 0.00 0.00 175.17 178.87 1k1x h PRO 205 N 8.80 0.00 -0.00 4.34 0.13 -1.87 -2.84 132.00 140.56 1k1x h PRO 205 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1k1x h PRO 205 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1k1x h PRO 205 CO 0.84 0.00 -0.33 -1.13 -0.23 0.00 0.00 178.00 177.15 1k1x n SER 206 N -2.47 0.61 -4.68 1.44 3.41 -1.26 -4.78 113.62 105.90 1k1x n SER 206 Ca 0.01 -0.43 -0.42 0.00 -0.26 0.00 0.00 58.87 57.77 1k1x n SER 206 Cb 0.18 0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.24 1k1x n SER 206 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1k1x n LYS 207 N -1.16 1.84 -3.74 4.33 4.81 -1.07 -4.87 118.16 118.30 1k1x n LYS 207 Ca 0.09 0.65 -0.13 0.00 -0.87 0.00 0.00 58.31 58.05 1k1x n LYS 207 Cb 0.33 -2.28 -0.09 0.00 0.02 0.00 0.00 35.03 33.01 1k1x n LYS 207 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1k1x s VAL 208 N -1.18 0.03 -0.09 3.15 0.11 0.64 -2.11 120.40 120.95 1k1x s VAL 208 Ca 0.60 -0.25 0.03 0.00 -2.93 0.00 0.00 61.98 59.43 1k1x s VAL 208 Cb -0.54 -0.60 -0.01 0.00 -1.53 0.00 0.00 36.38 33.70 1k1x s VAL 208 CO 0.59 -0.14 -0.21 0.00 -3.33 0.00 0.00 175.10 172.01 1k1x s ALA 209 N -0.69 2.33 -0.13 1.54 0.00 -0.21 -4.11 121.76 120.49 1k1x s ALA 209 Ca -0.08 -0.97 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 1k1x s ALA 209 Cb -0.04 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 1k1x s ALA 209 CO 0.03 0.34 -0.13 0.08 0.00 0.00 0.00 175.76 176.08 1k1x s VAL 210 N 0.12 3.08 -0.13 0.00 1.01 -1.26 -1.86 120.40 121.36 1k1x s VAL 210 Ca -0.10 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1k1x s VAL 210 Cb -0.16 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1k1x s VAL 210 CO 0.06 0.53 -0.20 0.12 0.00 0.00 0.00 175.10 175.60 1k1x s PHE 211 N 0.31 2.68 -0.21 5.22 5.36 -0.02 -0.98 117.98 130.34 1k1x s PHE 211 Ca -0.10 -1.15 -0.06 0.00 -0.96 0.00 0.00 56.93 54.66 1k1x s PHE 211 Cb -0.16 -1.81 0.10 0.00 -0.34 0.00 0.00 43.02 40.82 1k1x s PHE 211 CO 0.05 -0.50 0.42 -1.58 -1.46 0.00 0.00 175.22 172.15 1k1x s HIS 212 N 0.66 -0.82 0.34 10.12 2.46 -1.25 -0.12 115.29 126.67 1k1x s HIS 212 Ca -0.10 1.43 -0.04 0.00 0.47 0.00 0.00 55.06 56.81 1k1x s HIS 212 Cb -0.16 0.27 0.01 0.00 -0.13 0.00 0.00 32.58 32.56 1k1x s HIS 212 CO 0.02 -0.53 0.49 0.34 -2.47 0.00 0.00 174.74 172.59 1k1x s ASP 213 N 2.61 0.77 0.16 9.88 -1.08 -0.85 -4.97 116.67 123.18 1k1x s ASP 213 Ca 0.01 -1.42 -0.33 0.00 -0.52 0.00 0.00 52.55 50.29 1k1x s ASP 213 Cb -0.13 0.67 -0.13 0.00 -1.46 0.00 0.00 42.92 41.87 1k1x s ASP 213 CO -0.13 -1.31 1.65 0.47 0.52 0.00 0.00 175.17 176.36 1k1x n ASP 214 N -1.32 3.43 0.27 -0.34 9.92 -1.26 -0.81 116.55 126.43 1k1x n ASP 214 Ca 0.00 1.07 0.15 0.00 -0.53 0.00 0.00 54.79 55.48 1k1x n ASP 214 Cb 0.61 -1.47 0.66 0.00 -0.64 0.00 0.00 41.12 40.28 1k1x n ASP 214 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1k1x h GLY 215 N 6.48 0.00 2.00 0.44 0.00 -0.73 -2.33 103.07 108.93 1k1x h GLY 215 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1k1x h GLY 215 CO 0.91 0.00 0.00 0.83 0.00 0.00 0.00 176.54 178.28 1k1x h GLU 216 N 0.00 0.00 0.00 4.80 3.07 -1.90 -0.64 114.58 119.91 1k1x h GLU 216 Ca -0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1k1x h GLU 216 Cb 0.53 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1k1x h GLU 216 CO 0.01 0.00 -0.10 0.87 -1.40 0.00 0.00 179.01 178.39 1k1x h LYS 217 N 0.00 0.00 -2.29 2.33 1.57 -1.80 -1.43 116.57 114.95 1k1x h LYS 217 Ca 0.00 0.00 -0.74 0.00 -1.87 0.00 0.00 60.65 58.04 1k1x h LYS 217 Cb 0.21 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.30 1k1x h LYS 217 CO 0.00 0.10 1.38 1.19 -0.57 0.00 0.00 179.45 181.55 1k1x n PHE 218 N -3.37 2.60 0.00 -1.35 3.01 -0.25 -4.68 117.46 113.42 1k1x n PHE 218 Ca -0.01 -2.52 0.00 0.00 1.01 0.00 0.00 57.45 55.93 1k1x n PHE 218 Cb 0.29 -1.41 0.00 0.00 -0.01 0.00 0.00 39.48 38.34 1k1x n PHE 218 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1k1x n GLY 219 N 0.52 3.27 0.06 1.37 0.00 -1.22 -4.31 105.19 104.88 1k1x n GLY 219 Ca 0.53 -0.53 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1k1x n GLY 219 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k1x h VAL 220 N 0.00 0.87 -2.60 1.61 2.07 -1.46 -3.13 116.25 113.61 1k1x h VAL 220 Ca 0.00 -1.67 -0.60 0.00 0.82 0.00 0.00 66.70 65.25 1k1x h VAL 220 Cb 0.00 1.67 0.12 0.00 -1.52 0.00 0.00 31.29 31.56 1k1x h VAL 220 CO 0.00 0.29 0.02 0.79 0.02 0.00 0.00 177.57 178.69 1k1x n TRP 221 N -4.68 0.85 -1.63 1.57 7.02 -1.06 -4.77 117.44 114.75 1k1x n TRP 221 Ca -0.06 0.64 -0.54 0.00 -1.02 0.00 0.00 57.50 56.52 1k1x n TRP 221 Cb 0.26 -2.18 -0.06 0.00 -2.42 0.00 0.00 31.31 26.91 1k1x n TRP 221 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1k1x n PRO 222 N 0.50 1.16 0.00 -0.99 -0.04 -1.26 -1.61 135.00 132.76 1k1x n PRO 222 Ca 0.10 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 1k1x n PRO 222 Cb 0.36 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 1k1x n PRO 222 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k1x n GLY 223 N 3.01 2.59 0.15 0.55 0.00 -1.26 -4.90 105.19 105.32 1k1x n GLY 223 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 1k1x n GLY 223 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1k1x h THR 224 N 0.00 1.44 -0.46 2.61 1.35 -1.56 -2.92 112.91 113.38 1k1x h THR 224 Ca 0.00 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.49 1k1x h THR 224 Cb 0.00 2.29 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 1k1x h THR 224 CO 0.00 0.70 0.29 0.22 -0.25 0.00 0.00 175.52 176.48 1k1x h TYR 225 N 0.16 0.59 -0.29 4.73 3.20 -1.73 0.46 116.97 124.09 1k1x h TYR 225 Ca -0.04 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1k1x h TYR 225 Cb 1.38 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 1k1x h TYR 225 CO 0.03 0.39 0.13 0.93 -1.64 0.00 0.00 178.16 178.00 1k1x h GLU 226 N 0.62 0.42 -0.13 1.82 5.08 -1.90 0.38 114.58 120.87 1k1x h GLU 226 Ca 0.17 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1k1x h GLU 226 Cb -0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1k1x h GLU 226 CO -0.03 0.42 0.04 2.35 -1.00 0.00 0.00 179.01 180.78 1k1x h TRP 227 N 0.33 0.22 0.07 4.33 2.91 -1.29 0.38 115.95 122.89 1k1x h TRP 227 Ca 0.10 -0.02 -0.26 0.00 1.13 0.00 0.00 58.89 59.83 1k1x h TRP 227 Cb 0.14 -0.06 0.01 0.00 -0.51 0.00 0.00 29.16 28.75 1k1x h TRP 227 CO -0.01 0.35 -1.12 0.28 -1.03 0.00 0.00 178.44 176.91 1k1x h VAL 228 N 0.02 1.37 0.00 2.65 2.07 -0.07 -3.12 116.25 119.18 1k1x h VAL 228 Ca 0.04 -2.57 -0.19 0.00 0.82 0.00 0.00 66.70 64.80 1k1x h VAL 228 Cb 0.24 2.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 1k1x h VAL 228 CO -0.00 0.77 -1.51 -1.22 0.02 0.00 0.00 177.57 175.63 1k1x n TYR 229 N -3.72 0.00 -0.25 1.57 4.02 0.11 -2.13 117.16 116.76 1k1x n TYR 229 Ca -0.10 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.73 1k1x n TYR 229 Cb 0.93 -0.48 0.05 0.00 -0.02 0.00 0.00 39.34 39.82 1k1x n TYR 229 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1k1x h GLU 230 N -0.55 0.99 -0.27 -0.72 5.08 -1.24 -1.72 114.58 116.14 1k1x h GLU 230 Ca -0.29 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1k1x h GLU 230 Cb 1.13 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1k1x h GLU 230 CO -0.17 0.78 0.00 1.63 -1.00 0.00 0.00 179.01 180.25 1k1x n LYS 231 N -4.45 1.91 -2.64 2.33 5.02 0.13 -4.98 118.16 115.48 1k1x n LYS 231 Ca 0.05 -1.38 -0.21 0.00 -2.02 0.00 0.00 58.31 54.76 1k1x n LYS 231 Cb 0.13 -1.39 0.01 0.00 -0.02 0.00 0.00 35.03 33.76 1k1x n LYS 231 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k1x n GLY 232 N 1.19 -0.48 0.18 0.72 0.00 -0.65 -4.95 105.19 101.20 1k1x n GLY 232 Ca 0.16 0.03 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 1k1x n GLY 232 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1k1x h TRP 233 N -0.55 0.48 -0.43 1.61 7.01 -1.36 -2.51 115.95 120.20 1k1x h TRP 233 Ca -0.50 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.50 1k1x h TRP 233 Cb 1.36 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 28.24 1k1x h TRP 233 CO 0.53 0.29 0.21 1.25 -2.79 0.00 0.00 178.44 177.93 1k1x h LEU 234 N 0.52 0.56 -0.79 0.65 7.12 -1.75 0.01 115.31 121.62 1k1x h LEU 234 Ca 0.16 -0.12 -0.11 0.00 0.13 0.00 0.00 57.88 57.94 1k1x h LEU 234 Cb -0.02 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 39.95 1k1x h LEU 234 CO -0.06 0.52 -0.28 0.03 -0.13 0.00 0.00 178.44 178.52 1k1x h ARG 235 N 0.55 0.59 -0.20 1.25 3.08 -1.80 -0.40 114.38 117.45 1k1x h ARG 235 Ca 0.15 -0.25 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 1k1x h ARG 235 Cb 0.10 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1k1x h ARG 235 CO -0.02 0.81 -0.37 1.49 -1.07 0.00 0.00 179.97 180.82 1k1x h GLU 236 N 0.52 0.45 -0.05 0.04 4.81 -1.25 -2.14 114.58 116.95 1k1x h GLU 236 Ca 0.07 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 59.00 1k1x h GLU 236 Cb 0.75 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.13 1k1x h GLU 236 CO 0.06 0.75 -0.34 0.35 -0.73 0.00 0.00 179.01 179.10 1k1x h PHE 237 N 0.38 0.45 -0.35 0.92 3.57 -0.66 -2.15 116.94 119.09 1k1x h PHE 237 Ca 0.04 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 1k1x h PHE 237 Cb 0.82 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1k1x h PHE 237 CO 0.03 0.96 0.16 0.74 -2.23 0.00 0.00 178.31 177.96 1k1x h PHE 238 N -0.19 0.46 -0.06 0.41 -1.00 -1.05 0.23 116.94 115.73 1k1x h PHE 238 Ca -0.03 -0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.69 1k1x h PHE 238 Cb 1.01 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.42 1k1x h PHE 238 CO 0.14 0.35 -0.20 0.22 -1.61 0.00 0.00 178.31 177.21 1k1x h ASP 239 N 0.48 0.28 -0.07 2.17 3.58 -1.40 -2.88 116.42 118.58 1k1x h ASP 239 Ca 0.12 -0.61 -0.01 0.00 0.42 0.00 0.00 57.03 56.95 1k1x h ASP 239 Cb 0.06 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 1k1x h ASP 239 CO -0.02 0.84 -0.00 0.00 -2.88 0.00 0.00 179.24 177.18 1k1x h ALA 240 N 0.45 0.10 0.00 -0.78 0.00 -1.00 -2.98 119.26 115.05 1k1x h ALA 240 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1k1x h ALA 240 Cb 0.82 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1k1x h ALA 240 CO 0.04 -0.21 -0.07 0.97 0.00 0.00 0.00 179.25 179.98 1k1x h ILE 241 N -0.17 0.71 -0.01 0.00 6.09 -0.66 -2.03 117.51 121.44 1k1x h ILE 241 Ca 0.02 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 1k1x h ILE 241 Cb 0.36 1.16 0.00 0.00 0.47 0.00 0.00 36.82 38.81 1k1x h ILE 241 CO 0.00 0.07 -0.42 0.35 -3.07 0.00 0.00 178.15 175.08 1k1x n THR 242 N -3.96 0.00 -0.12 2.19 -2.24 -1.09 -4.34 114.28 104.73 1k1x n THR 242 Ca -0.03 -0.12 -0.15 0.00 -2.27 0.00 0.00 64.05 61.48 1k1x n THR 242 Cb 0.16 0.62 -0.12 0.00 -2.10 0.00 0.00 70.33 68.89 1k1x n THR 242 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1k1x n SER 243 N -0.74 1.70 -4.66 3.42 7.64 -0.84 -4.98 113.62 115.16 1k1x n SER 243 Ca 0.10 -0.10 -0.53 0.00 1.01 0.00 0.00 58.87 59.35 1k1x n SER 243 Cb 0.37 -0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.43 1k1x n SER 243 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1k1x n ASN 244 N -3.10 2.42 -0.01 6.43 2.85 -0.82 -4.87 115.26 118.16 1k1x n ASN 244 Ca -0.41 1.07 0.14 0.00 -0.11 0.00 0.00 54.58 55.28 1k1x n ASN 244 Cb 1.00 -1.23 0.64 0.00 1.24 0.00 0.00 39.78 41.43 1k1x n ASN 244 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1k1x n GLU 245 N 4.44 0.18 0.00 1.20 0.28 -1.26 -3.26 120.64 122.22 1k1x n GLU 245 Ca 0.22 -0.02 0.11 0.00 -0.16 0.00 0.00 57.16 57.31 1k1x n GLU 245 Cb 0.20 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.56 1k1x n GLU 245 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1k1x n LYS 246 N -1.40 0.02 -3.89 3.44 5.02 -1.26 -4.87 118.16 115.23 1k1x n LYS 246 Ca 0.10 -0.02 -0.35 0.00 -2.02 0.00 0.00 58.31 56.01 1k1x n LYS 246 Cb 0.30 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.68 1k1x n LYS 246 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1k1x s ILE 247 N -2.99 3.39 -0.36 -0.18 1.01 -1.20 -0.16 121.20 120.70 1k1x s ILE 247 Ca 0.09 -0.66 -0.10 0.00 0.00 0.00 0.00 60.65 59.98 1k1x s ILE 247 Cb 0.16 -2.63 0.02 0.00 0.01 0.00 0.00 42.46 40.03 1k1x s ILE 247 CO 0.81 0.30 0.18 0.21 0.00 0.00 0.00 174.94 176.44 1k1x s ASN 248 N 1.45 5.61 0.20 3.58 2.47 0.16 -4.83 114.94 123.58 1k1x s ASN 248 Ca 0.04 -0.94 -0.30 0.00 0.42 0.00 0.00 52.86 52.07 1k1x s ASN 248 Cb -0.15 -1.99 -0.08 0.00 -1.45 0.00 0.00 41.25 37.58 1k1x s ASN 248 CO -0.02 -0.34 1.10 -0.76 -3.72 0.00 0.00 177.10 173.35 1k1x s LEU 249 N 1.53 4.50 0.09 3.21 1.02 -1.26 0.06 118.68 127.84 1k1x s LEU 249 Ca 0.02 2.12 -0.26 0.00 0.02 0.00 0.00 54.13 56.03 1k1x s LEU 249 Cb -0.19 -3.61 0.08 0.00 0.02 0.00 0.00 46.19 42.50 1k1x s LEU 249 CO 0.06 -0.20 0.75 0.00 0.02 0.00 0.00 176.35 176.98 1k1x s MET 250 N -0.57 1.10 0.51 1.70 0.23 -0.72 -4.89 119.30 116.65 1k1x s MET 250 Ca 0.48 -0.43 -0.02 0.00 -1.03 0.00 0.00 55.69 54.69 1k1x s MET 250 Cb -0.30 0.49 0.00 0.00 -1.53 0.00 0.00 34.83 33.49 1k1x s MET 250 CO 0.36 -0.48 0.77 0.95 -2.03 0.00 0.00 175.02 174.59 1k1x s THR 251 N -3.46 3.86 0.13 3.16 -4.23 -1.26 -4.27 115.64 109.58 1k1x s THR 251 Ca 0.04 -0.27 -0.22 0.00 -1.18 0.00 0.00 61.69 60.06 1k1x s THR 251 Cb -0.01 -3.47 -0.02 0.00 1.34 0.00 0.00 72.50 70.33 1k1x s THR 251 CO -0.10 -0.40 1.68 1.88 -0.54 0.00 0.00 174.62 177.14 1k1x h TYR 252 N 0.15 -0.32 -0.82 3.99 -1.99 -1.97 -0.64 116.97 115.37 1k1x h TYR 252 Ca -0.46 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.33 1k1x h TYR 252 Cb 1.25 0.16 -0.05 0.00 2.00 0.00 0.00 36.73 40.10 1k1x h TYR 252 CO 0.46 -0.19 0.54 0.77 -0.00 0.00 0.00 178.16 179.74 1k1x h SER 253 N -0.15 0.86 -0.22 3.88 0.02 -1.99 -1.15 113.55 114.81 1k1x h SER 253 Ca 0.09 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1k1x h SER 253 Cb 0.29 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1k1x h SER 253 CO -0.23 0.59 0.07 -0.08 -1.14 0.00 0.00 176.83 176.04 1k1x h GLU 254 N 1.00 0.34 -0.52 3.45 4.81 -1.79 -1.86 114.58 120.01 1k1x h GLU 254 Ca 0.33 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.55 1k1x h GLU 254 Cb 0.06 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 1k1x h GLU 254 CO -0.10 0.43 0.21 -0.92 -0.73 0.00 0.00 179.01 177.90 1k1x h TYR 255 N 0.18 0.38 0.00 0.92 3.20 -0.22 -1.21 116.97 120.22 1k1x h TYR 255 Ca 0.07 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1k1x h TYR 255 Cb 0.23 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 1k1x h TYR 255 CO 0.00 0.14 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.56 1k1x h LEU 256 N 0.41 0.00 -0.05 2.82 3.38 -1.10 0.25 115.31 121.02 1k1x h LEU 256 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1k1x h LEU 256 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1k1x h LEU 256 CO -0.22 0.03 -0.07 -1.54 0.09 0.00 0.00 178.44 176.73 1k1x n SER 257 N -3.17 0.15 0.00 -0.43 3.41 -0.47 -4.09 113.62 109.03 1k1x n SER 257 Ca -0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1k1x n SER 257 Cb 0.28 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1k1x n SER 257 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k1x n LYS 258 N -1.30 2.70 -4.35 4.33 5.02 -0.84 -5.07 118.16 118.64 1k1x n LYS 258 Ca 0.11 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.21 1k1x n LYS 258 Cb 0.29 -0.91 -0.13 0.00 -0.02 0.00 0.00 35.03 34.25 1k1x n LYS 258 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1k1x s PHE 259 N -1.78 1.14 0.01 2.13 0.40 0.02 -5.12 117.98 114.78 1k1x s PHE 259 Ca 0.00 -0.33 -0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1k1x s PHE 259 Cb 0.00 -0.68 -0.04 0.00 0.51 0.00 0.00 43.02 42.80 1k1x s PHE 259 CO 0.00 0.02 0.22 0.95 0.70 0.00 0.00 175.22 177.11 1k1x s THR 260 N -0.79 5.38 0.58 0.64 -4.23 -1.26 -4.33 115.64 111.63 1k1x s THR 260 Ca 0.01 -0.09 -0.18 0.00 -1.18 0.00 0.00 61.69 60.26 1k1x s THR 260 Cb -0.07 -3.56 -0.09 0.00 1.34 0.00 0.00 72.50 70.11 1k1x s THR 260 CO 0.01 0.29 0.43 -2.65 -0.54 0.00 0.00 174.62 172.17 1k1x n PRO 261 N 0.85 0.43 -0.05 3.99 -0.02 -1.26 -4.89 135.00 134.04 1k1x n PRO 261 Ca -0.10 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1k1x n PRO 261 Cb 0.52 -1.62 0.29 0.00 -0.02 0.00 0.00 33.50 32.67 1k1x n PRO 261 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1k1x h ARG 262 N 0.15 0.65 0.00 -0.52 2.43 -1.73 -3.48 114.38 111.87 1k1x h ARG 262 Ca -0.45 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1k1x h ARG 262 Cb 1.40 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1k1x h ARG 262 CO 0.46 0.57 0.00 0.41 -1.51 0.00 0.00 179.97 179.90 1k1x n GLY 263 N -1.04 -0.70 3.81 2.80 0.00 -1.26 -5.05 105.19 103.75 1k1x n GLY 263 Ca 0.03 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 1k1x n GLY 263 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k1x s LEU 264 N 0.00 4.08 0.04 0.99 2.96 -1.26 0.07 118.68 125.56 1k1x s LEU 264 Ca 0.00 0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 54.12 1k1x s LEU 264 Cb 0.00 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.68 1k1x s LEU 264 CO 0.00 0.38 0.26 0.54 -1.32 0.00 0.00 176.35 176.21 1k1x s VAL 265 N -1.01 0.09 -0.06 1.68 0.11 -0.37 -4.91 120.40 115.93 1k1x s VAL 265 Ca 0.16 -0.76 0.05 0.00 -2.93 0.00 0.00 61.98 58.50 1k1x s VAL 265 Cb -0.12 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.80 1k1x s VAL 265 CO 0.05 -0.42 -0.22 -0.31 -3.33 0.00 0.00 175.10 170.87 1k1x s TYR 266 N -2.54 2.51 0.07 1.54 1.51 -1.26 -4.20 117.35 114.97 1k1x s TYR 266 Ca -0.05 -0.62 0.05 0.00 -1.01 0.00 0.00 57.07 55.43 1k1x s TYR 266 Cb -0.01 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.18 1k1x s TYR 266 CO -0.03 -0.15 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.69 1k1x s LEU 267 N -0.21 3.24 0.79 -1.29 1.43 -1.26 -4.71 118.68 116.68 1k1x s LEU 267 Ca -0.02 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 1k1x s LEU 267 Cb -0.13 -1.96 0.14 0.00 0.03 0.00 0.00 46.19 44.27 1k1x s LEU 267 CO 0.03 0.21 1.10 -2.16 0.23 0.00 0.00 176.35 175.76 1k1x s PRO 268 N -1.98 1.41 -0.17 1.29 0.04 -1.26 -4.66 135.00 129.66 1k1x s PRO 268 Ca 0.22 -0.79 -0.29 0.00 0.04 0.00 0.00 61.00 60.17 1k1x s PRO 268 Cb -0.11 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 1k1x s PRO 268 CO 0.13 -1.73 1.41 0.42 0.04 0.00 0.00 177.00 177.28 1k1x s ILE 269 N -3.39 4.01 0.36 0.56 1.01 -1.26 -4.71 121.20 117.78 1k1x s ILE 269 Ca 0.68 1.20 -0.14 0.00 0.00 0.00 0.00 60.65 62.39 1k1x s ILE 269 Cb -0.05 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.59 1k1x s ILE 269 CO 0.47 -0.21 0.71 0.00 0.00 0.00 0.00 174.94 175.91 1k1x s ALA 270 N 4.05 -0.48 0.06 9.38 0.00 -1.20 -4.98 121.76 128.59 1k1x s ALA 270 Ca 0.62 -0.86 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 1k1x s ALA 270 Cb -0.24 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.69 1k1x s ALA 270 CO 0.22 -0.95 0.08 0.45 0.00 0.00 0.00 175.76 175.55 1k1x n SER 271 N -1.26 -0.21 -4.76 0.00 2.88 -1.25 -1.13 113.62 107.90 1k1x n SER 271 Ca -0.06 -1.33 -0.32 0.00 -1.33 0.00 0.00 58.87 55.84 1k1x n SER 271 Cb 0.60 0.41 0.09 0.00 -0.75 0.00 0.00 64.21 64.55 1k1x n SER 271 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1k1x s TYR 272 N -4.28 2.50 0.21 0.66 -0.85 -1.26 -4.59 117.35 109.73 1k1x s TYR 272 Ca 0.05 1.57 -0.14 0.00 -0.52 0.00 0.00 57.07 58.03 1k1x s TYR 272 Cb -0.00 -3.11 0.22 0.00 0.38 0.00 0.00 41.96 39.45 1k1x s TYR 272 CO 0.04 -1.87 1.62 0.35 -1.52 0.00 0.00 175.55 174.17 1k1x h PHE 273 N -0.86 -0.39 -1.00 -3.49 3.57 -2.00 -2.34 116.94 110.42 1k1x h PHE 273 Ca -0.44 0.06 0.25 0.00 3.53 0.00 0.00 57.97 61.36 1k1x h PHE 273 Cb 1.24 0.27 -0.08 0.00 2.79 0.00 0.00 35.95 40.17 1k1x h PHE 273 CO 0.56 -0.28 0.65 0.93 -2.23 0.00 0.00 178.31 177.94 1k1x h GLU 274 N -0.02 0.36 0.00 1.11 3.07 -2.03 0.32 114.58 117.38 1k1x h GLU 274 Ca 0.30 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.11 1k1x h GLU 274 Cb 0.47 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1k1x h GLU 274 CO -0.65 0.24 -0.09 1.98 -1.40 0.00 0.00 179.01 179.08 1k1x h MET 275 N 0.37 0.00 -0.16 2.33 4.05 -1.77 -2.14 114.93 117.60 1k1x h MET 275 Ca 0.54 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 60.00 1k1x h MET 275 Cb 1.43 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.22 1k1x h MET 275 CO -0.23 0.09 0.11 0.77 0.23 0.00 0.00 176.91 177.89 1k1x h SER 276 N 0.00 0.05 0.17 1.39 0.02 -1.05 -1.31 113.55 112.80 1k1x h SER 276 Ca -0.00 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1k1x h SER 276 Cb 0.22 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1k1x h SER 276 CO 0.01 0.03 -0.08 -0.08 -1.14 0.00 0.00 176.83 175.57 1k1x h GLU 277 N 0.05 -0.21 -0.80 3.45 4.81 -1.53 -1.28 114.58 119.07 1k1x h GLU 277 Ca 0.07 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1k1x h GLU 277 Cb 0.23 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1k1x h GLU 277 CO -0.01 0.05 0.32 -1.49 -0.73 0.00 0.00 179.01 177.16 1k1x h TRP 278 N -1.01 1.21 0.00 0.92 6.55 -1.56 -2.96 115.95 119.11 1k1x h TRP 278 Ca -0.02 -0.09 0.00 0.00 0.95 0.00 0.00 58.89 59.73 1k1x h TRP 278 Cb 0.36 -0.36 0.00 0.00 -0.86 0.00 0.00 29.16 28.30 1k1x h TRP 278 CO 0.05 0.91 0.00 -1.13 -1.05 0.00 0.00 178.44 177.22 1k1x n SER 279 N -4.28 0.00 -4.90 -3.49 3.41 -0.51 -4.74 113.62 99.11 1k1x n SER 279 Ca 0.07 -0.52 -0.33 0.00 -0.26 0.00 0.00 58.87 57.83 1k1x n SER 279 Cb 0.18 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.09 1k1x n SER 279 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1k1x s LEU 280 N -1.69 4.34 0.60 1.04 1.43 -1.12 -4.36 118.68 118.93 1k1x s LEU 280 Ca 0.13 0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 53.51 1k1x s LEU 280 Cb 0.06 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 1k1x s LEU 280 CO 0.10 0.17 1.31 -2.16 0.23 0.00 0.00 176.35 176.01 1k1x s PRO 281 N -2.22 2.81 0.10 1.29 0.04 -1.26 -4.52 135.00 131.24 1k1x s PRO 281 Ca 0.33 2.11 -0.19 0.00 0.04 0.00 0.00 61.00 63.29 1k1x s PRO 281 Cb -0.13 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1k1x s PRO 281 CO 0.22 -1.41 0.97 0.00 0.04 0.00 0.00 177.00 176.82 1k1x n ALA 282 N -1.54 -0.40 -0.15 8.56 0.00 -1.26 -1.31 120.51 124.40 1k1x n ALA 282 Ca 0.14 0.53 -0.03 0.00 0.00 0.00 0.00 53.44 54.08 1k1x n ALA 282 Cb 0.47 -0.09 0.06 0.00 0.00 0.00 0.00 19.45 19.90 1k1x n ALA 282 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1k1x h LYS 283 N 0.00 0.24 -0.17 0.00 1.57 -1.93 -2.47 116.57 113.81 1k1x h LYS 283 Ca 0.10 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 1k1x h LYS 283 Cb 0.26 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1k1x h LYS 283 CO -0.59 0.16 -0.44 1.96 -0.57 0.00 0.00 179.45 179.97 1k1x h GLN 284 N 0.25 0.41 -0.79 3.15 1.08 -1.54 -2.98 115.11 114.69 1k1x h GLN 284 Ca 0.24 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1k1x h GLN 284 Cb 0.31 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.71 1k1x h GLN 284 CO -0.31 0.78 0.43 0.00 -0.95 0.00 0.00 178.83 178.78 1k1x h ALA 285 N 1.19 1.27 -0.17 3.87 0.00 -0.90 0.22 119.26 124.75 1k1x h ALA 285 Ca 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1k1x h ALA 285 Cb 0.91 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1k1x h ALA 285 CO 0.08 0.59 0.10 -0.22 0.00 0.00 0.00 179.25 179.80 1k1x h LYS 286 N 1.10 0.23 -0.56 0.00 3.64 -1.32 0.04 116.57 119.70 1k1x h LYS 286 Ca 0.28 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1k1x h LYS 286 Cb 0.03 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 1k1x h LYS 286 CO -0.04 0.19 0.34 -0.07 -2.27 0.00 0.00 179.45 177.60 1k1x h LEU 287 N 0.20 0.56 -0.48 5.20 3.38 -1.22 -0.36 115.31 122.59 1k1x h LEU 287 Ca 0.06 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1k1x h LEU 287 Cb 0.02 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1k1x h LEU 287 CO -0.01 0.40 0.23 0.15 0.09 0.00 0.00 178.44 179.29 1k1x h PHE 288 N 0.68 0.42 -0.67 1.13 3.57 -0.11 0.44 116.94 122.40 1k1x h PHE 288 Ca 0.22 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 1k1x h PHE 288 Cb 0.01 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1k1x h PHE 288 CO -0.06 0.20 0.26 0.28 -2.23 0.00 0.00 178.31 176.76 1k1x h VAL 289 N 0.45 1.24 0.04 1.41 2.07 -0.44 -0.54 116.25 120.49 1k1x h VAL 289 Ca 0.21 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1k1x h VAL 289 Cb 0.14 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1k1x h VAL 289 CO -0.16 0.30 -0.07 -0.08 0.02 0.00 0.00 177.57 177.58 1k1x h GLU 290 N 0.95 -0.14 -0.19 1.57 4.81 -0.37 0.80 114.58 122.02 1k1x h GLU 290 Ca 0.22 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1k1x h GLU 290 Cb 0.22 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1k1x h GLU 290 CO -0.02 -0.09 -0.09 0.35 -0.73 0.00 0.00 179.01 178.43 1k1x h PHE 291 N -0.14 -0.21 -0.65 0.92 3.57 -0.63 0.27 116.94 120.05 1k1x h PHE 291 Ca 0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1k1x h PHE 291 Cb 0.16 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1k1x h PHE 291 CO -0.12 -0.14 0.38 0.28 -2.23 0.00 0.00 178.31 176.48 1k1x h VAL 292 N -0.07 1.20 -0.46 1.41 2.07 -0.84 -1.60 116.25 117.95 1k1x h VAL 292 Ca 0.10 -0.45 -0.14 0.00 0.82 0.00 0.00 66.70 67.03 1k1x h VAL 292 Cb 0.22 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1k1x h VAL 292 CO -0.23 0.21 -0.25 -0.33 0.02 0.00 0.00 177.57 176.98 1k1x h GLU 293 N 0.89 0.98 0.00 1.57 5.08 -0.41 -2.57 114.58 120.12 1k1x h GLU 293 Ca 0.23 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1k1x h GLU 293 Cb -0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1k1x h GLU 293 CO -0.04 1.11 0.00 0.94 -1.00 0.00 0.00 179.01 180.02 1k1x n GLN 294 N -4.10 0.09 -0.00 2.33 7.27 0.90 -1.58 117.38 122.29 1k1x n GLN 294 Ca -0.00 0.17 -0.06 0.00 0.07 0.00 0.00 57.00 57.18 1k1x n GLN 294 Cb 0.48 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.51 1k1x n GLN 294 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1k1x h LEU 295 N 0.00 0.00 0.00 1.69 3.38 -0.89 -3.23 115.31 116.26 1k1x h LEU 295 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1k1x h LEU 295 Cb 0.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1k1x h LEU 295 CO 0.00 0.88 -1.24 0.11 0.09 0.00 0.00 178.44 178.29 1k1x h LYS 296 N 0.00 0.00 0.00 1.13 1.57 -1.22 -0.11 116.57 117.95 1k1x h LYS 296 Ca -0.23 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.47 1k1x h LYS 296 Cb 1.88 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.18 1k1x h LYS 296 CO 0.07 0.73 -0.37 1.49 -0.57 0.00 0.00 179.45 180.81 1k1x h GLU 297 N 0.00 0.00 -0.54 3.15 4.81 -1.42 -2.06 114.58 118.52 1k1x h GLU 297 Ca -0.12 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1k1x h GLU 297 Cb 1.81 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.19 1k1x h GLU 297 CO 0.10 0.37 0.01 0.39 -0.73 0.00 0.00 179.01 179.15 1k1x n GLU 298 N -3.61 4.58 -4.05 1.92 1.02 -1.22 -4.96 120.64 114.31 1k1x n GLU 298 Ca -0.01 -3.13 -0.27 0.00 -0.02 0.00 0.00 57.16 53.74 1k1x n GLU 298 Cb 0.48 -2.21 -0.08 0.00 -0.02 0.00 0.00 31.44 29.61 1k1x n GLU 298 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k1x n GLY 299 N 0.42 -0.13 0.57 0.62 0.00 -0.77 -4.81 105.19 101.08 1k1x n GLY 299 Ca 0.28 0.16 0.01 0.00 0.00 0.00 0.00 46.02 46.47 1k1x n GLY 299 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1k1x n LYS 300 N -4.08 0.15 -0.04 1.61 2.85 -0.10 -4.87 118.16 113.68 1k1x n LYS 300 Ca -0.27 -1.29 -0.13 0.00 -1.05 0.00 0.00 58.31 55.56 1k1x n LYS 300 Cb 0.59 -0.56 -0.11 0.00 -0.65 0.00 0.00 35.03 34.30 1k1x n LYS 300 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 177.40 177.70 1k1x h PHE 301 N 0.12 -0.00 -0.52 5.58 3.57 -1.74 -3.17 116.94 120.77 1k1x h PHE 301 Ca -0.02 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.58 1k1x h PHE 301 Cb 1.41 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 40.05 1k1x h PHE 301 CO 0.11 0.72 -0.10 0.93 -2.23 0.00 0.00 178.31 177.74 1k1x h GLU 302 N -0.73 0.03 -0.00 1.11 4.39 -1.89 0.59 114.58 118.08 1k1x h GLU 302 Ca -0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1k1x h GLU 302 Cb 0.72 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1k1x h GLU 302 CO 0.00 0.02 -0.05 0.36 -1.16 0.00 0.00 179.01 178.18 1k1x n LYS 303 N -5.34 0.28 0.00 2.33 2.85 -1.26 -3.89 118.16 113.14 1k1x n LYS 303 Ca 0.05 -0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1k1x n LYS 303 Cb 0.28 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.16 1k1x n LYS 303 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1k1x n TYR 304 N -1.33 0.00 -0.09 5.58 0.53 -0.61 -4.74 117.16 116.49 1k1x n TYR 304 Ca 0.11 -0.10 -0.02 0.00 -1.02 0.00 0.00 57.90 56.87 1k1x n TYR 304 Cb 0.29 -0.01 0.22 0.00 -1.03 0.00 0.00 39.34 38.81 1k1x n TYR 304 CO 0.00 0.00 0.00 0.07 -1.02 0.00 0.00 176.86 175.91 1k1x h ARG 305 N 0.00 0.74 0.00 -0.72 0.11 0.04 -2.53 114.38 112.02 1k1x h ARG 305 Ca 0.00 -0.16 0.00 0.00 0.10 0.00 0.00 59.98 59.92 1k1x h ARG 305 Cb 0.24 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.21 1k1x h ARG 305 CO 0.00 0.70 0.24 -0.39 0.10 0.00 0.00 179.97 180.61 1k1x h VAL 306 N 0.71 0.00 -0.02 0.08 -1.51 -1.84 0.47 116.25 114.14 1k1x h VAL 306 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.62 1k1x h VAL 306 Cb 0.32 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 29.94 1k1x h VAL 306 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 1k1x n PHE 307 N -2.35 0.01 -2.98 5.19 0.99 -0.95 -4.59 117.46 112.78 1k1x n PHE 307 Ca -0.01 -0.01 -0.40 0.00 -0.00 0.00 0.00 57.45 57.03 1k1x n PHE 307 Cb 0.27 -0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.70 1k1x n PHE 307 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1k1x s VAL 308 N -1.17 4.77 0.08 -4.37 1.01 0.15 -5.06 120.40 115.82 1k1x s VAL 308 Ca 0.17 1.63 0.03 0.00 0.00 0.00 0.00 61.98 63.80 1k1x s VAL 308 Cb 0.12 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1k1x s VAL 308 CO 0.18 0.34 -0.08 -0.13 0.00 0.00 0.00 175.10 175.41 1k1x s ARG 309 N 0.07 0.75 0.00 2.72 1.81 -1.26 -5.04 118.95 118.00 1k1x s ARG 309 Ca 0.39 -1.11 0.00 0.00 -1.72 0.00 0.00 55.73 53.29 1k1x s ARG 309 Cb -0.20 -0.35 0.00 0.00 -0.45 0.00 0.00 34.95 33.95 1k1x s ARG 309 CO 0.23 0.04 0.00 0.41 -0.68 0.00 0.00 175.30 175.29 1k1x n GLY 310 N 0.59 5.44 2.78 -3.53 0.00 -1.26 -5.05 105.19 104.16 1k1x n GLY 310 Ca -0.17 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 1k1x n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1x n GLY 311 N 0.00 -0.96 3.30 -0.02 0.00 -0.48 -5.00 105.19 102.03 1k1x n GLY 311 Ca 0.00 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.01 1k1x n GLY 311 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1k1x s ILE 312 N -2.89 1.79 0.21 -0.61 -4.36 -1.26 -4.49 121.20 109.58 1k1x s ILE 312 Ca 0.53 -1.61 -0.09 0.00 -0.26 0.00 0.00 60.65 59.22 1k1x s ILE 312 Cb -0.02 -1.64 0.16 0.00 1.25 0.00 0.00 42.46 42.22 1k1x s ILE 312 CO 0.37 -0.07 1.72 -0.25 0.24 0.00 0.00 174.94 176.95 1k1x h TRP 313 N 3.97 0.32 -0.67 1.37 7.01 -1.89 -2.42 115.95 123.65 1k1x h TRP 313 Ca -0.46 0.03 0.19 0.00 2.11 0.00 0.00 58.89 60.76 1k1x h TRP 313 Cb 1.18 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 28.17 1k1x h TRP 313 CO 0.62 0.03 0.55 0.87 -2.79 0.00 0.00 178.44 177.73 1k1x h LYS 314 N 0.34 0.00 0.00 2.65 6.56 -1.97 -1.16 116.57 122.99 1k1x h LYS 314 Ca 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.92 1k1x h LYS 314 Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.11 1k1x h LYS 314 CO -0.36 0.00 0.00 0.09 -2.06 0.00 0.00 179.45 177.12 1k1x n ASN 315 N -4.04 0.00 0.22 0.86 3.02 -0.91 -1.78 115.26 112.64 1k1x n ASN 315 Ca 0.13 -0.98 0.09 0.00 -0.03 0.00 0.00 54.58 53.79 1k1x n ASN 315 Cb 0.81 0.00 0.47 0.00 -0.61 0.00 0.00 39.78 40.44 1k1x n ASN 315 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1k1x h PHE 316 N 0.00 0.00 0.00 3.10 -1.00 -1.41 -0.66 116.94 116.97 1k1x h PHE 316 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1k1x h PHE 316 Cb 0.00 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.56 1k1x h PHE 316 CO 0.00 0.25 -0.06 0.74 -1.61 0.00 0.00 178.31 177.63 1k1x h PHE 317 N 0.00 0.00 0.04 -0.55 0.05 -1.58 0.20 116.94 115.10 1k1x h PHE 317 Ca -0.00 0.00 -0.23 0.00 3.82 0.00 0.00 57.97 61.56 1k1x h PHE 317 Cb 0.71 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.64 1k1x h PHE 317 CO 0.00 0.06 -1.24 0.35 -0.18 0.00 0.00 178.31 177.30 1k1x h PHE 318 N 0.00 0.16 -0.91 -0.55 3.57 -1.36 -3.37 116.94 114.48 1k1x h PHE 318 Ca -0.00 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.39 1k1x h PHE 318 Cb 0.45 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 1k1x h PHE 318 CO 0.00 1.49 0.60 -0.22 -2.23 0.00 0.00 178.31 177.94 1k1x h LYS 319 N -0.71 1.21 -4.06 1.11 3.64 -1.03 -3.37 116.57 113.36 1k1x h LYS 319 Ca -0.31 -0.08 -0.64 0.00 -1.27 0.00 0.00 60.65 58.35 1k1x h LYS 319 Cb 1.46 -0.27 -0.40 0.00 -0.41 0.00 0.00 32.23 32.61 1k1x h LYS 319 CO -0.09 0.81 -0.70 0.71 -2.27 0.00 0.00 179.45 177.92 1k1x s TYR 320 N -6.09 3.29 0.32 1.91 1.51 0.69 -4.97 117.35 114.00 1k1x s TYR 320 Ca -0.13 -2.92 0.06 0.00 -1.01 0.00 0.00 57.07 53.07 1k1x s TYR 320 Cb 0.17 -2.72 0.71 0.00 -0.11 0.00 0.00 41.96 40.00 1k1x s TYR 320 CO 0.81 -0.87 1.85 -1.35 -1.11 0.00 0.00 175.55 174.88 1k1x h PRO 321 N 7.24 0.79 -0.52 -1.71 0.11 -1.74 -0.55 132.00 135.63 1k1x h PRO 321 Ca -0.06 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 1k1x h PRO 321 Cb 0.97 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 1k1x h PRO 321 CO 0.57 0.53 0.23 0.93 -0.21 0.00 0.00 178.00 180.04 1k1x h GLU 322 N 0.82 0.74 -0.27 1.05 3.07 -1.93 0.18 114.58 118.24 1k1x h GLU 322 Ca 0.47 -0.10 -0.17 0.00 -0.50 0.00 0.00 59.36 59.07 1k1x h GLU 322 Cb 0.63 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1k1x h GLU 322 CO -0.24 0.59 -0.50 1.03 -1.40 0.00 0.00 179.01 178.50 1k1x h SER 323 N 0.74 0.90 -0.19 1.42 0.87 -1.45 -1.79 113.55 114.04 1k1x h SER 323 Ca 0.18 -0.53 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 1k1x h SER 323 Cb 0.12 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1k1x h SER 323 CO -0.02 1.27 0.08 -1.13 -0.53 0.00 0.00 176.83 176.50 1k1x h ASN 324 N 0.57 0.25 -0.16 6.23 -1.24 -0.75 0.13 115.58 120.62 1k1x h ASN 324 Ca 0.01 -0.14 0.03 0.00 0.71 0.00 0.00 56.30 56.92 1k1x h ASN 324 Cb 1.10 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 40.05 1k1x h ASN 324 CO 0.11 0.32 -0.06 0.15 -1.29 0.00 0.00 177.43 176.66 1k1x h PHE 325 N 0.17 -0.14 -0.34 0.67 3.57 -0.65 0.52 116.94 120.73 1k1x h PHE 325 Ca 0.06 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1k1x h PHE 325 Cb 0.14 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 1k1x h PHE 325 CO -0.02 -0.10 0.05 1.98 -2.23 0.00 0.00 178.31 177.99 1k1x h MET 326 N -0.04 0.15 0.25 1.11 4.05 -1.11 -0.57 114.93 118.78 1k1x h MET 326 Ca 0.08 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 1k1x h MET 326 Cb 0.16 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.93 1k1x h MET 326 CO -0.18 0.10 -0.13 1.25 0.23 0.00 0.00 176.91 178.18 1k1x h HIS 327 N 0.16 -0.33 -0.13 1.39 -0.00 -0.20 -1.63 115.15 114.40 1k1x h HIS 327 Ca 0.16 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.47 1k1x h HIS 327 Cb 0.20 0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.71 1k1x h HIS 327 CO -0.20 -0.21 -0.15 0.87 -0.00 0.00 0.00 177.93 178.24 1k1x h LYS 328 N -0.35 0.21 -0.52 5.26 1.79 -0.75 0.06 116.57 122.27 1k1x h LYS 328 Ca -0.03 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.31 1k1x h LYS 328 Cb 0.27 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 1k1x h LYS 328 CO 0.05 0.37 0.01 0.00 -1.08 0.00 0.00 179.45 178.80 1k1x h ARG 329 N 0.20 0.91 -0.18 3.15 2.47 -0.90 -0.93 114.38 119.10 1k1x h ARG 329 Ca 0.04 -0.29 -0.12 0.00 -1.26 0.00 0.00 59.98 58.35 1k1x h ARG 329 Cb 0.40 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 1k1x h ARG 329 CO 0.02 0.93 -0.41 0.00 0.56 0.00 0.00 179.97 181.08 1k1x h MET 330 N 0.78 0.42 -0.55 0.04 -0.00 -0.28 -1.53 114.93 113.82 1k1x h MET 330 Ca 0.15 -0.21 -0.06 0.00 -0.00 0.00 0.00 59.70 59.58 1k1x h MET 330 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.09 1k1x h MET 330 CO 0.03 0.76 0.10 -0.07 -0.00 0.00 0.00 176.91 177.72 1k1x h LEU 331 N 0.35 0.81 0.11 -0.10 3.38 -0.75 0.18 115.31 119.28 1k1x h LEU 331 Ca 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1k1x h LEU 331 Cb 0.86 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1k1x h LEU 331 CO 0.07 0.81 -0.05 -0.03 0.09 0.00 0.00 178.44 179.33 1k1x h MET 332 N 0.82 -0.14 -0.37 1.13 4.05 -0.72 -2.73 114.93 116.97 1k1x h MET 332 Ca 0.17 0.01 -0.15 0.00 -0.28 0.00 0.00 59.70 59.46 1k1x h MET 332 Cb 0.35 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 1k1x h MET 332 CO 0.00 -0.07 -0.35 0.28 0.23 0.00 0.00 176.91 177.01 1k1x h VAL 333 N -0.17 1.28 -0.57 -5.77 2.07 -1.00 -2.90 116.25 109.19 1k1x h VAL 333 Ca -0.01 -1.52 0.08 0.00 0.82 0.00 0.00 66.70 66.07 1k1x h VAL 333 Cb 0.13 1.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 1k1x h VAL 333 CO 0.02 0.50 0.21 -1.28 0.02 0.00 0.00 177.57 177.05 1k1x h SER 334 N 0.71 0.21 -0.13 0.57 0.87 -0.57 0.01 113.55 115.22 1k1x h SER 334 Ca 0.07 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1k1x h SER 334 Cb 0.91 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 1k1x h SER 334 CO 0.08 0.14 0.04 0.50 -0.53 0.00 0.00 176.83 177.06 1k1x h LYS 335 N 0.39 0.19 0.00 2.24 3.64 -1.44 -0.44 116.57 121.16 1k1x h LYS 335 Ca 0.28 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1k1x h LYS 335 Cb 0.32 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1k1x h LYS 335 CO -0.28 0.32 0.00 0.00 -2.27 0.00 0.00 179.45 177.22 1k1x h ALA 336 N 0.86 1.00 -0.01 5.00 0.00 -1.25 -3.00 119.26 121.86 1k1x h ALA 336 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1k1x h ALA 336 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1k1x h ALA 336 CO -0.00 0.00 -0.07 0.28 0.00 0.00 0.00 179.25 179.46 1k1x n VAL 337 N -2.73 0.00 -0.22 0.00 0.31 -0.05 -4.73 118.33 110.92 1k1x n VAL 337 Ca 0.01 -0.47 0.31 0.00 -0.01 0.00 0.00 64.34 64.18 1k1x n VAL 337 Cb 0.24 1.19 0.70 0.00 -0.91 0.00 0.00 33.84 35.07 1k1x n VAL 337 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1k1x h ARG 338 N 1.83 0.00 -0.03 5.55 2.43 -0.93 -0.34 114.38 122.90 1k1x h ARG 338 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1k1x h ARG 338 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1k1x h ARG 338 CO 0.00 0.00 -0.06 -0.25 -1.51 0.00 0.00 179.97 178.15 1k1x n ASP 339 N -3.90 2.57 -4.17 -3.80 8.00 -1.26 -4.76 116.55 109.22 1k1x n ASP 339 Ca 0.21 -1.83 -0.39 0.00 0.71 0.00 0.00 54.79 53.50 1k1x n ASP 339 Cb 1.17 0.05 -0.09 0.00 -0.02 0.00 0.00 41.12 42.23 1k1x n ASP 339 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1k1x s ASN 340 N -2.07 5.55 0.25 -2.24 3.84 -0.14 -4.98 114.94 115.15 1k1x s ASN 340 Ca 0.29 -2.05 -0.05 0.00 0.21 0.00 0.00 52.86 51.25 1k1x s ASN 340 Cb 0.20 -1.94 0.47 0.00 -0.55 0.00 0.00 41.25 39.42 1k1x s ASN 340 CO 0.34 -0.62 1.66 -0.65 -2.79 0.00 0.00 177.10 175.05 1k1x h PRO 341 N 8.18 0.19 -0.08 0.43 0.11 -1.86 0.31 132.00 139.29 1k1x h PRO 341 Ca -0.16 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 1k1x h PRO 341 Cb 1.05 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1k1x h PRO 341 CO 0.79 0.13 0.02 1.49 -0.21 0.00 0.00 178.00 180.22 1k1x h GLU 342 N 0.20 0.12 -0.29 1.05 4.81 -1.94 -2.39 114.58 116.14 1k1x h GLU 342 Ca 0.42 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.59 1k1x h GLU 342 Cb 0.74 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1k1x h GLU 342 CO -0.57 0.32 0.07 0.00 -0.73 0.00 0.00 179.01 178.09 1k1x h ALA 343 N 0.80 0.38 -0.86 2.92 0.00 -1.75 -3.08 119.26 117.66 1k1x h ALA 343 Ca 0.02 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.89 1k1x h ALA 343 Cb 0.25 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1k1x h ALA 343 CO 0.00 0.04 0.56 -0.09 0.00 0.00 0.00 179.25 179.76 1k1x h ARG 344 N 0.30 0.72 -0.72 0.00 2.43 -0.38 -1.46 114.38 115.26 1k1x h ARG 344 Ca 0.09 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.31 1k1x h ARG 344 Cb 0.29 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 1k1x h ARG 344 CO 0.00 0.47 0.48 -0.22 -1.51 0.00 0.00 179.97 179.19 1k1x h LYS 345 N 0.74 0.62 -0.53 0.20 3.64 -1.33 -0.51 116.57 119.39 1k1x h LYS 345 Ca 0.42 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.65 1k1x h LYS 345 Cb 0.59 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1k1x h LYS 345 CO -0.18 0.41 -0.10 1.88 -2.27 0.00 0.00 179.45 179.19 1k1x h TYR 346 N 0.63 1.09 0.00 1.91 -1.99 -1.37 -2.09 116.97 115.15 1k1x h TYR 346 Ca 0.33 -0.22 -0.13 0.00 2.00 0.00 0.00 58.73 60.72 1k1x h TYR 346 Cb 0.45 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 1k1x h TYR 346 CO -0.00 1.01 -0.61 0.97 -0.00 0.00 0.00 178.16 179.54 1k1x h ILE 347 N 0.88 1.39 -0.47 -2.88 6.09 -1.12 -1.58 117.51 119.83 1k1x h ILE 347 Ca 0.14 -2.10 -0.13 0.00 -1.37 0.00 0.00 64.86 61.40 1k1x h ILE 347 Cb 0.65 2.15 -0.01 0.00 0.47 0.00 0.00 36.82 40.07 1k1x h ILE 347 CO 0.04 0.59 -0.22 -0.07 -3.07 0.00 0.00 178.15 175.43 1k1x h LEU 348 N 0.00 1.01 -1.10 2.19 3.38 -0.98 -2.61 115.31 117.20 1k1x h LEU 348 Ca -0.01 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 1k1x h LEU 348 Cb 1.10 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1k1x h LEU 348 CO 0.08 1.18 0.17 0.11 0.09 0.00 0.00 178.44 180.07 1k1x h LYS 349 N 0.83 0.81 0.00 1.13 1.57 -1.09 -2.18 116.57 117.64 1k1x h LYS 349 Ca 0.11 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1k1x h LYS 349 Cb 0.80 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1k1x h LYS 349 CO 0.07 0.70 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 1k1x h ALA 350 N 1.40 1.00 -0.13 3.86 0.00 -0.91 -2.72 119.26 121.75 1k1x h ALA 350 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1k1x h ALA 350 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1k1x h ALA 350 CO -0.01 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.28 1k1x n GLN 351 N -2.31 1.41 -1.67 0.00 6.02 -0.82 -4.83 117.38 115.18 1k1x n GLN 351 Ca 0.01 -0.63 -0.43 0.00 -0.01 0.00 0.00 57.00 55.94 1k1x n GLN 351 Cb 0.16 -1.26 -0.03 0.00 1.02 0.00 0.00 30.24 30.13 1k1x n GLN 351 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1k1x h ASN 353 N 9.64 0.93 -0.98 0.00 7.08 -1.63 -3.37 115.58 127.26 1k1x h ASN 353 Ca -0.48 -0.10 0.28 0.00 -3.08 0.00 0.00 56.30 52.91 1k1x h ASN 353 Cb 1.24 -0.24 -0.18 0.00 -2.08 0.00 0.00 38.32 37.06 1k1x h ASN 353 CO 0.94 0.79 0.09 0.44 -2.08 0.00 0.00 177.43 177.61 1k1x h ASP 354 N 1.03 -0.38 0.56 6.14 3.32 -1.90 -0.63 116.42 124.56 1k1x h ASP 354 Ca 0.25 0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.57 1k1x h ASP 354 Cb 0.11 0.46 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1k1x h ASP 354 CO -0.03 -0.35 0.00 0.00 -1.72 0.00 0.00 179.24 177.14 1k1x n ALA 355 N -3.03 2.27 1.11 3.45 0.00 -1.26 -2.96 120.51 120.09 1k1x n ALA 355 Ca 0.24 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.70 1k1x n ALA 355 Cb 0.80 -1.42 0.34 0.00 0.00 0.00 0.00 19.45 19.18 1k1x n ALA 355 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1k1x n TYR 356 N -1.33 0.00 -4.01 0.00 4.02 -0.24 -3.55 117.16 112.04 1k1x n TYR 356 Ca 0.11 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.87 1k1x n TYR 356 Cb 0.22 -0.22 -0.02 0.00 -0.02 0.00 0.00 39.34 39.30 1k1x n TYR 356 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 176.86 177.52 1k1x s TRP 357 N -2.79 0.85 -0.17 -0.72 1.48 -1.23 -4.79 118.94 111.56 1k1x s TRP 357 Ca 0.17 -1.19 -0.06 0.00 -1.06 0.00 0.00 56.10 53.96 1k1x s TRP 357 Cb 0.18 0.16 0.08 0.00 -1.16 0.00 0.00 33.47 32.74 1k1x s TRP 357 CO 0.61 -1.28 0.35 -1.58 -4.06 0.00 0.00 176.95 170.99 1k1x s HIS 358 N -2.76 -0.64 0.00 1.66 2.46 -1.26 -1.30 115.29 113.45 1k1x s HIS 358 Ca 0.27 1.22 0.00 0.00 0.47 0.00 0.00 55.06 57.01 1k1x s HIS 358 Cb -0.02 0.13 0.00 0.00 -0.13 0.00 0.00 32.58 32.56 1k1x s HIS 358 CO 0.19 -0.45 0.00 0.41 -2.47 0.00 0.00 174.74 172.41 1k1x n GLY 359 N 5.37 0.49 0.25 1.59 0.00 -1.26 -4.82 105.19 106.80 1k1x n GLY 359 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1k1x n GLY 359 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1k1x n VAL 360 N 0.00 0.76 -2.43 1.61 3.14 -1.26 -4.95 118.33 115.20 1k1x n VAL 360 Ca 0.00 -0.25 -0.37 0.00 -2.96 0.00 0.00 64.34 60.76 1k1x n VAL 360 Cb 0.00 -1.22 -0.03 0.00 -1.06 0.00 0.00 33.84 31.53 1k1x n VAL 360 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1k1x s PHE 361 N -2.26 3.13 0.27 1.45 0.40 -1.26 -2.84 117.98 116.86 1k1x s PHE 361 Ca -0.18 1.60 -0.06 0.00 -0.60 0.00 0.00 56.93 57.69 1k1x s PHE 361 Cb 0.06 -3.23 0.50 0.00 0.51 0.00 0.00 43.02 40.85 1k1x s PHE 361 CO 0.28 -0.97 1.60 0.78 0.70 0.00 0.00 175.22 177.61 1k1x h GLY 362 N 2.37 0.86 0.00 4.36 0.00 -1.94 -3.45 103.07 105.27 1k1x h GLY 362 Ca -0.49 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1k1x h GLY 362 CO 0.62 -0.36 0.00 0.61 0.00 0.00 0.00 176.54 177.41 1k1x n GLY 363 N -1.49 3.61 0.36 4.60 0.00 -1.26 -1.30 105.19 109.70 1k1x n GLY 363 Ca 0.16 0.17 0.18 0.00 0.00 0.00 0.00 46.02 46.53 1k1x n GLY 363 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k1x h ILE 364 N 0.00 0.40 0.00 -0.61 2.10 -1.08 -0.17 117.51 118.14 1k1x h ILE 364 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1k1x h ILE 364 Cb 0.00 0.75 0.00 0.00 -1.09 0.00 0.00 36.82 36.48 1k1x h ILE 364 CO 0.00 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.85 1k1x n TYR 365 N -3.70 0.32 -3.10 2.19 4.02 -0.42 -4.59 117.16 111.88 1k1x n TYR 365 Ca 0.04 0.11 -0.42 0.00 -0.01 0.00 0.00 57.90 57.61 1k1x n TYR 365 Cb 0.44 -0.68 -0.07 0.00 -0.02 0.00 0.00 39.34 39.02 1k1x n TYR 365 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1k1x s LEU 366 N -3.55 4.38 0.27 7.72 1.43 -0.08 -4.95 118.68 123.90 1k1x s LEU 366 Ca 0.09 -0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1k1x s LEU 366 Cb 0.12 -2.77 0.51 0.00 0.03 0.00 0.00 46.19 44.08 1k1x s LEU 366 CO 0.41 -0.72 1.83 -0.65 0.23 0.00 0.00 176.35 177.44 1k1x h PRO 367 N 8.73 0.90 0.00 1.29 0.11 -1.86 -2.02 132.00 139.14 1k1x h PRO 367 Ca -0.26 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 1k1x h PRO 367 Cb 1.10 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 1k1x h PRO 367 CO 0.88 0.60 -0.13 1.12 -0.21 0.00 0.00 178.00 180.25 1k1x h HIS 368 N 0.93 0.00 0.14 0.65 2.07 -1.92 -0.21 115.15 116.81 1k1x h HIS 368 Ca 0.47 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.71 1k1x h HIS 368 Cb 0.47 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.46 1k1x h HIS 368 CO -0.02 0.13 -1.25 -0.07 -3.07 0.00 0.00 177.93 173.65 1k1x h LEU 369 N 0.00 0.51 -0.20 6.12 3.38 -1.64 -3.16 115.31 120.32 1k1x h LEU 369 Ca -0.00 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.39 1k1x h LEU 369 Cb 0.32 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1k1x h LEU 369 CO 0.02 1.40 -0.07 -0.09 0.09 0.00 0.00 178.44 179.79 1k1x h ARG 370 N 0.10 0.39 0.00 1.13 2.43 -1.05 -2.84 114.38 114.55 1k1x h ARG 370 Ca -0.15 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 58.84 1k1x h ARG 370 Cb 1.97 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.50 1k1x h ARG 370 CO 0.21 0.67 -0.11 0.07 -1.51 0.00 0.00 179.97 179.30 1k1x h ARG 371 N 0.10 0.00 -0.24 0.20 0.11 -1.18 -1.75 114.38 111.62 1k1x h ARG 371 Ca 0.05 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.02 1k1x h ARG 371 Cb 0.54 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.61 1k1x h ARG 371 CO 0.02 0.11 -0.26 1.15 0.10 0.00 0.00 179.97 181.10 1k1x h THR 372 N 0.00 1.32 -0.13 0.08 2.02 -1.48 0.36 112.91 115.08 1k1x h THR 372 Ca -0.00 -1.44 -0.00 0.00 0.77 0.00 0.00 66.41 65.74 1k1x h THR 372 Cb 0.40 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1k1x h THR 372 CO 0.01 0.45 0.08 0.58 0.37 0.00 0.00 175.52 177.01 1k1x h VAL 373 N 0.29 1.08 -0.59 3.16 2.07 -1.15 -1.76 116.25 119.34 1k1x h VAL 373 Ca 0.03 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1k1x h VAL 373 Cb 0.82 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1k1x h VAL 373 CO 0.06 0.07 0.25 -0.50 0.02 0.00 0.00 177.57 177.47 1k1x h TRP 374 N 0.14 0.88 -0.60 1.57 4.06 -1.27 -1.18 115.95 119.55 1k1x h TRP 374 Ca 0.05 -0.06 0.12 0.00 2.06 0.00 0.00 58.89 61.06 1k1x h TRP 374 Cb 0.04 -0.27 -0.10 0.00 -1.00 0.00 0.00 29.16 27.84 1k1x h TRP 374 CO -0.05 0.69 0.05 1.49 -3.56 0.00 0.00 178.44 177.06 1k1x h GLU 375 N 0.81 0.16 0.00 0.49 4.81 -0.05 0.84 114.58 121.65 1k1x h GLU 375 Ca 0.20 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 1k1x h GLU 375 Cb 0.17 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1k1x h GLU 375 CO -0.02 0.11 -0.60 -0.91 -0.73 0.00 0.00 179.01 176.86 1k1x h ASN 376 N 0.17 0.00 -0.23 1.04 -0.26 -0.77 -1.62 115.58 113.91 1k1x h ASN 376 Ca 0.31 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.93 1k1x h ASN 376 Cb 0.50 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.75 1k1x h ASN 376 CO -0.47 0.60 -0.34 0.40 -1.06 0.00 0.00 177.43 176.56 1k1x h ILE 377 N 0.00 1.32 -0.26 2.81 2.04 -0.26 -2.33 117.51 120.83 1k1x h ILE 377 Ca -0.01 -1.54 -0.03 0.00 1.00 0.00 0.00 64.86 64.29 1k1x h ILE 377 Cb 1.17 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 1k1x h ILE 377 CO 0.08 0.48 0.06 0.40 0.00 0.00 0.00 178.15 179.17 1k1x h ILE 378 N 0.33 1.21 -0.39 -0.67 2.04 -0.77 -1.37 117.51 117.89 1k1x h ILE 378 Ca 0.02 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 1k1x h ILE 378 Cb 0.92 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1k1x h ILE 378 CO 0.08 0.23 0.10 0.11 0.00 0.00 0.00 178.15 178.66 1k1x h LYS 379 N 0.25 0.57 -0.34 2.37 1.57 -1.33 0.86 116.57 120.52 1k1x h LYS 379 Ca 0.08 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1k1x h LYS 379 Cb 0.29 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1k1x h LYS 379 CO 0.00 0.53 -0.35 0.00 -0.57 0.00 0.00 179.45 179.06 1k1x h ALA 380 N 1.55 0.51 0.00 3.86 0.00 -1.19 -3.16 119.26 120.82 1k1x h ALA 380 Ca 0.13 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1k1x h ALA 380 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1k1x h ALA 380 CO -0.00 0.58 -0.52 0.37 0.00 0.00 0.00 179.25 179.67 1k1x h GLN 381 N 0.63 0.00 -0.11 0.00 4.15 -0.70 -3.09 115.11 116.00 1k1x h GLN 381 Ca 0.05 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.51 1k1x h GLN 381 Cb 0.94 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.62 1k1x h GLN 381 CO 0.09 0.52 0.30 -0.09 -1.93 0.00 0.00 178.83 177.72 1k1x h ARG 382 N 0.00 0.00 0.00 1.69 2.43 -0.81 0.29 114.38 117.99 1k1x h ARG 382 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1k1x h ARG 382 Cb 0.97 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1k1x h ARG 382 CO 0.07 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.19 1k1x n TYR 383 N -3.21 0.80 -3.37 2.20 4.02 -1.17 -4.83 117.16 111.59 1k1x n TYR 383 Ca 0.00 0.27 -0.29 0.00 -0.01 0.00 0.00 57.90 57.87 1k1x n TYR 383 Cb 0.39 -0.93 -0.03 0.00 -0.02 0.00 0.00 39.34 38.75 1k1x n TYR 383 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1k1x s LEU 384 N -4.36 4.08 0.19 7.72 1.43 0.10 -5.04 118.68 122.80 1k1x s LEU 384 Ca 0.08 0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 53.60 1k1x s LEU 384 Cb 0.11 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.72 1k1x s LEU 384 CO 0.50 -0.17 1.37 -0.75 0.23 0.00 0.00 176.35 177.52 1k1x s LYS 385 N -3.44 4.34 0.35 1.70 2.20 -1.26 -4.95 119.74 118.68 1k1x s LYS 385 Ca 0.44 2.13 -0.28 0.00 -0.36 0.00 0.00 55.97 57.89 1k1x s LYS 385 Cb -0.11 -3.18 -0.10 0.00 -1.51 0.00 0.00 37.83 32.93 1k1x s LYS 385 CO 0.29 -0.34 1.32 -2.14 -0.36 0.00 0.00 175.35 174.12 1k1x s PRO 386 N 0.13 4.26 -0.23 4.03 0.02 -1.26 -5.02 135.00 136.93 1k1x s PRO 386 Ca 0.59 2.24 -0.14 0.00 0.02 0.00 0.00 61.00 63.71 1k1x s PRO 386 Cb -0.38 -3.00 0.07 0.00 0.02 0.00 0.00 34.50 31.20 1k1x s PRO 386 CO 0.37 -0.27 0.57 -1.83 -0.33 0.00 0.00 177.00 175.51 1k1x s GLU 387 N -1.90 0.60 0.29 5.54 -1.05 -1.26 -5.02 118.70 115.89 1k1x s GLU 387 Ca 0.51 1.00 -0.28 0.00 -0.15 0.00 0.00 54.97 56.05 1k1x s GLU 387 Cb -0.40 0.12 -0.09 0.00 -0.44 0.00 0.00 34.13 33.32 1k1x s GLU 387 CO 0.53 -0.14 0.98 -0.80 0.95 0.00 0.00 175.26 176.79 1k1x s ASN 388 N 1.31 7.39 -0.05 0.83 0.01 -1.26 -4.69 114.94 118.48 1k1x s ASN 388 Ca -0.08 1.99 -0.24 0.00 -0.71 0.00 0.00 52.86 53.81 1k1x s ASN 388 Cb -0.06 -2.60 0.05 0.00 0.41 0.00 0.00 41.25 39.05 1k1x s ASN 388 CO -0.14 -0.04 0.54 -1.59 -1.51 0.00 0.00 177.10 174.36 1k1x s LYS 389 N -1.64 0.89 -0.20 -0.60 -2.85 -0.84 -5.01 119.74 109.49 1k1x s LYS 389 Ca 0.46 0.13 -0.04 0.00 -1.00 0.00 0.00 55.97 55.52 1k1x s LYS 389 Cb -0.24 0.41 -0.01 0.00 -2.06 0.00 0.00 37.83 35.93 1k1x s LYS 389 CO 0.31 -0.26 -0.04 0.42 0.10 0.00 0.00 175.35 175.88 1k1x s ILE 390 N -1.15 3.52 -0.06 3.79 -1.09 -1.26 -1.39 121.20 123.56 1k1x s ILE 390 Ca -0.11 -0.45 -0.30 0.00 -2.23 0.00 0.00 60.65 57.55 1k1x s ILE 390 Cb -0.02 -2.59 0.11 0.00 -1.58 0.00 0.00 42.46 38.39 1k1x s ILE 390 CO 0.07 0.44 0.95 -1.48 -1.23 0.00 0.00 174.94 173.69 1k1x s LEU 391 N 1.17 -0.34 -0.71 2.97 2.34 -0.66 -4.93 118.68 118.53 1k1x s LEU 391 Ca 0.02 0.08 -0.25 0.00 0.06 0.00 0.00 54.13 54.04 1k1x s LEU 391 Cb -0.14 1.91 0.05 0.00 -0.56 0.00 0.00 46.19 47.44 1k1x s LEU 391 CO -0.00 -0.51 1.15 -0.62 -1.06 0.00 0.00 176.35 175.30 1k1x s ASP 392 N -2.17 6.17 -0.09 1.48 -1.08 -1.26 0.93 116.67 120.65 1k1x s ASP 392 Ca 0.04 -0.68 -0.27 0.00 -0.52 0.00 0.00 52.55 51.13 1k1x s ASP 392 Cb -0.01 -2.50 -0.23 0.00 -1.46 0.00 0.00 42.92 38.72 1k1x s ASP 392 CO -0.06 -1.67 0.95 0.58 0.52 0.00 0.00 175.17 175.49 1k1x h VAL 393 N 6.01 1.54 -0.48 1.11 2.07 -1.92 -3.35 116.25 121.24 1k1x h VAL 393 Ca -0.28 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.47 1k1x h VAL 393 Cb 1.06 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 1k1x h VAL 393 CO 1.24 0.45 0.00 -0.90 0.02 0.00 0.00 177.57 178.38 1k1x n ASP 394 N -4.73 4.00 -3.74 0.57 3.85 -1.26 -4.81 116.55 110.43 1k1x n ASP 394 Ca -0.09 -2.45 -0.28 0.00 -0.71 0.00 0.00 54.79 51.26 1k1x n ASP 394 Cb 0.37 -0.54 0.03 0.00 -1.35 0.00 0.00 41.12 39.62 1k1x n ASP 394 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 1k1x n PHE 395 N 0.71 -1.86 -0.04 2.11 3.01 -1.26 -4.92 117.46 115.21 1k1x n PHE 395 Ca 0.20 0.60 0.03 0.00 1.01 0.00 0.00 57.45 59.29 1k1x n PHE 395 Cb 0.79 -3.70 0.07 0.00 -0.01 0.00 0.00 39.48 36.62 1k1x n PHE 395 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1k1x n ASP 396 N -2.84 2.32 -0.02 4.37 5.68 -1.26 -4.98 116.55 119.83 1k1x n ASP 396 Ca -0.18 -1.89 -0.00 0.00 -0.50 0.00 0.00 54.79 52.21 1k1x n ASP 396 Cb 0.63 -0.10 -0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1k1x n ASP 396 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k1x n GLY 397 N 0.05 0.39 2.69 6.12 0.00 -1.26 -5.02 105.19 108.16 1k1x n GLY 397 Ca 0.05 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 1k1x n GLY 397 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k1x s ARG 398 N -2.18 0.31 0.36 1.61 1.81 -1.26 -5.12 118.95 114.47 1k1x s ARG 398 Ca 0.00 -0.32 -0.24 0.00 -1.72 0.00 0.00 55.73 53.46 1k1x s ARG 398 Cb 0.00 -0.82 -0.15 0.00 -0.45 0.00 0.00 34.95 33.53 1k1x s ARG 398 CO 0.00 -1.04 0.40 0.00 -0.68 0.00 0.00 175.30 173.98 1k1x n ALA 399 N 5.21 -2.28 -2.92 2.13 0.00 -1.26 -4.77 120.51 116.61 1k1x n ALA 399 Ca -0.02 0.22 -0.22 0.00 0.00 0.00 0.00 53.44 53.42 1k1x n ALA 399 Cb 0.45 -1.64 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 1k1x n ALA 399 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1k1x s GLU 400 N -1.24 3.27 -0.18 0.00 8.01 0.27 -4.56 118.70 124.27 1k1x s GLU 400 Ca 0.62 -0.85 -0.00 0.00 0.01 0.00 0.00 54.97 54.75 1k1x s GLU 400 Cb -0.69 -2.79 0.01 0.00 -4.31 0.00 0.00 34.13 26.34 1k1x s GLU 400 CO 0.59 0.42 -0.15 0.42 0.01 0.00 0.00 175.26 176.56 1k1x s ILE 401 N -2.02 2.53 -0.34 -1.63 1.01 -0.30 -1.66 121.20 118.79 1k1x s ILE 401 Ca 0.34 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 1k1x s ILE 401 Cb -0.09 -2.09 0.05 0.00 0.01 0.00 0.00 42.46 40.34 1k1x s ILE 401 CO 0.28 0.51 0.10 -0.04 0.00 0.00 0.00 174.94 175.78 1k1x s MET 402 N 1.20 2.56 -0.12 2.79 -1.94 -0.48 -0.11 119.30 123.20 1k1x s MET 402 Ca 0.02 -1.25 -0.04 0.00 -1.71 0.00 0.00 55.69 52.72 1k1x s MET 402 Cb -0.14 -3.44 -0.03 0.00 2.01 0.00 0.00 34.83 33.22 1k1x s MET 402 CO -0.07 -0.70 0.02 0.08 -0.01 0.00 0.00 175.02 174.34 1k1x s VAL 403 N 1.37 4.45 -0.08 -6.03 1.01 -0.53 -2.00 120.40 118.58 1k1x s VAL 403 Ca -0.01 -0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 1k1x s VAL 403 Cb -0.20 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.31 1k1x s VAL 403 CO 0.02 0.56 0.47 -1.83 0.00 0.00 0.00 175.10 174.32 1k1x s GLU 404 N -0.47 0.74 0.00 2.72 -1.05 -1.26 -0.84 118.70 118.55 1k1x s GLU 404 Ca 0.09 0.24 0.00 0.00 -0.15 0.00 0.00 54.97 55.14 1k1x s GLU 404 Cb -0.12 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 33.92 1k1x s GLU 404 CO 0.02 -0.18 0.00 0.27 0.95 0.00 0.00 175.26 176.32 1k1x n ASN 405 N 1.71 1.28 0.30 0.83 0.23 -0.61 -4.56 115.26 114.43 1k1x n ASN 405 Ca -0.18 -0.64 0.20 0.00 -0.53 0.00 0.00 54.58 53.42 1k1x n ASN 405 Cb 0.56 0.00 0.97 0.00 -2.08 0.00 0.00 39.78 39.24 1k1x n ASN 405 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1k1x h ASP 406 N 0.00 0.00 0.00 0.53 3.32 -1.96 -3.22 116.42 115.09 1k1x h ASP 406 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1k1x h ASP 406 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1k1x h ASP 406 CO 0.00 0.00 -0.75 0.61 -1.72 0.00 0.00 179.24 177.38 1k1x n GLY 407 N -0.70 0.18 3.11 2.75 0.00 -1.26 -4.88 105.19 104.40 1k1x n GLY 407 Ca -0.02 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1k1x n GLY 407 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k1x s PHE 408 N -1.87 0.64 -0.11 1.61 0.40 -1.22 -0.71 117.98 116.72 1k1x s PHE 408 Ca -0.00 -1.00 -0.02 0.00 -0.60 0.00 0.00 56.93 55.31 1k1x s PHE 408 Cb 0.02 -0.43 0.04 0.00 0.51 0.00 0.00 43.02 43.17 1k1x s PHE 408 CO 0.15 -0.30 0.02 0.42 0.70 0.00 0.00 175.22 176.21 1k1x s ILE 409 N -3.74 0.36 -0.03 0.64 1.01 -0.62 -1.57 121.20 117.25 1k1x s ILE 409 Ca 0.08 -0.06 0.07 0.00 0.00 0.00 0.00 60.65 60.74 1k1x s ILE 409 Cb 0.07 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 1k1x s ILE 409 CO -0.08 0.10 -0.24 0.00 0.00 0.00 0.00 174.94 174.73 1k1x s ALA 410 N 1.96 2.26 -0.17 9.38 0.00 -0.02 -0.00 121.76 135.17 1k1x s ALA 410 Ca 0.03 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1k1x s ALA 410 Cb -0.14 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.36 1k1x s ALA 410 CO -0.06 0.52 -0.19 0.99 0.00 0.00 0.00 175.76 177.02 1k1x s THR 411 N -0.58 1.95 -0.07 0.00 2.01 0.48 -1.45 115.64 117.98 1k1x s THR 411 Ca 0.09 -0.87 -0.00 0.00 0.31 0.00 0.00 61.69 61.21 1k1x s THR 411 Cb -0.11 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 1k1x s THR 411 CO -0.00 0.52 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.79 1k1x s ILE 412 N 1.28 4.01 -0.47 1.82 1.01 0.85 0.67 121.20 130.36 1k1x s ILE 412 Ca 0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1k1x s ILE 412 Cb -0.13 -2.68 0.13 0.00 0.01 0.00 0.00 42.46 39.78 1k1x s ILE 412 CO -0.11 0.57 0.25 -0.54 0.00 0.00 0.00 174.94 175.11 1k1x s LYS 413 N -0.94 2.07 0.18 2.79 1.02 -0.16 -1.16 119.74 123.55 1k1x s LYS 413 Ca 0.14 -2.12 -0.13 0.00 0.02 0.00 0.00 55.97 53.87 1k1x s LYS 413 Cb -0.11 -3.54 0.13 0.00 -0.52 0.00 0.00 37.83 33.79 1k1x s LYS 413 CO 0.03 -1.09 1.78 -1.35 -0.92 0.00 0.00 175.35 173.81 1k1x h PRO 414 N 7.52 0.47 -0.04 -1.68 0.11 -1.84 -1.93 132.00 134.61 1k1x h PRO 414 Ca -0.08 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.01 1k1x h PRO 414 Cb 1.00 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 1k1x h PRO 414 CO 0.67 0.31 0.10 1.12 -0.21 0.00 0.00 178.00 179.99 1k1x h HIS 415 N 0.49 0.00 -3.13 0.65 2.07 -1.87 -1.14 115.15 112.22 1k1x h HIS 415 Ca 0.22 0.00 -0.63 0.00 -2.85 0.00 0.00 60.37 57.11 1k1x h HIS 415 Cb 0.13 0.00 -0.41 0.00 2.57 0.00 0.00 27.41 29.70 1k1x h HIS 415 CO -0.10 0.00 -0.52 -0.47 -3.07 0.00 0.00 177.93 173.76 1k1x s TYR 416 N -4.34 3.60 -0.39 6.12 5.04 -0.77 -2.22 117.35 124.38 1k1x s TYR 416 Ca -0.05 -3.30 0.00 0.00 -2.44 0.00 0.00 57.07 51.28 1k1x s TYR 416 Cb 0.13 -2.78 0.00 0.00 0.35 0.00 0.00 41.96 39.67 1k1x s TYR 416 CO 0.45 -0.57 0.00 0.41 -1.34 0.00 0.00 175.55 174.49 1k1x n GLY 417 N 2.06 0.48 3.14 8.97 0.00 0.71 -2.90 105.19 117.65 1k1x n GLY 417 Ca 0.19 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1k1x n GLY 417 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1x n GLY 418 N -0.33 -0.50 3.95 -0.02 0.00 -0.91 -4.73 105.19 102.65 1k1x n GLY 418 Ca -0.04 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1k1x n GLY 418 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k1x s SER 419 N -2.63 5.49 -0.34 1.61 0.01 -1.14 -4.79 113.70 111.91 1k1x s SER 419 Ca 0.32 0.30 -0.17 0.00 1.31 0.00 0.00 55.95 57.70 1k1x s SER 419 Cb -0.16 -1.31 -0.01 0.00 0.21 0.00 0.00 66.02 64.75 1k1x s SER 419 CO 0.40 -1.02 0.48 -0.63 0.41 0.00 0.00 173.24 172.88 1k1x s ILE 420 N -2.79 5.06 -0.71 1.44 1.01 0.17 -0.99 121.20 124.39 1k1x s ILE 420 Ca 0.54 0.35 0.23 0.00 0.00 0.00 0.00 60.65 61.77 1k1x s ILE 420 Cb -0.10 -3.91 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 1k1x s ILE 420 CO 0.40 -0.14 1.10 0.49 0.00 0.00 0.00 174.94 176.79 1k1x n PHE 421 N 5.63 0.22 -3.71 3.97 3.01 0.21 -1.10 117.46 125.71 1k1x n PHE 421 Ca -0.06 0.06 -0.14 0.00 1.01 0.00 0.00 57.45 58.33 1k1x n PHE 421 Cb 0.49 -0.38 -0.14 0.00 -0.01 0.00 0.00 39.48 39.43 1k1x n PHE 421 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1k1x s GLU 422 N -3.14 0.11 -0.41 -1.08 2.12 -1.10 -4.78 118.70 110.42 1k1x s GLU 422 Ca 0.05 0.53 0.01 0.00 0.36 0.00 0.00 54.97 55.93 1k1x s GLU 422 Cb 0.15 -0.16 0.13 0.00 0.26 0.00 0.00 34.13 34.50 1k1x s GLU 422 CO 0.78 -0.23 0.21 -1.17 -0.54 0.00 0.00 175.26 174.32 1k1x s LEU 423 N 1.73 2.48 -0.25 2.70 2.96 -1.25 -0.39 118.68 126.66 1k1x s LEU 423 Ca -0.04 -2.41 -0.12 0.00 -0.22 0.00 0.00 54.13 51.34 1k1x s LEU 423 Cb -0.11 -0.95 -0.05 0.00 0.50 0.00 0.00 46.19 45.57 1k1x s LEU 423 CO -0.07 -0.30 0.24 -0.44 -1.32 0.00 0.00 176.35 174.47 1k1x s SER 424 N 0.65 6.17 -0.21 3.68 0.01 1.00 -0.46 113.70 124.54 1k1x s SER 424 Ca 0.16 0.18 -0.24 0.00 1.31 0.00 0.00 55.95 57.37 1k1x s SER 424 Cb -0.23 -2.15 -0.01 0.00 0.21 0.00 0.00 66.02 63.84 1k1x s SER 424 CO -0.04 -0.03 0.77 -0.55 0.41 0.00 0.00 173.24 173.81 1k1x s SER 425 N 1.31 6.82 0.49 2.44 0.15 -0.00 -1.58 113.70 123.33 1k1x s SER 425 Ca 0.11 1.02 0.28 0.00 0.70 0.00 0.00 55.95 58.05 1k1x s SER 425 Cb -0.15 -2.42 0.84 0.00 -1.71 0.00 0.00 66.02 62.58 1k1x s SER 425 CO 0.07 -0.41 1.79 0.11 1.20 0.00 0.00 173.24 176.01 1k1x h LYS 426 N 7.53 0.00 0.18 5.44 1.57 -1.23 0.14 116.57 130.19 1k1x h LYS 426 Ca -0.27 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.24 1k1x h LYS 426 Cb 1.12 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.45 1k1x h LYS 426 CO 0.83 0.00 -1.20 -0.09 -0.57 0.00 0.00 179.45 178.42 1k1x h ARG 427 N 0.00 0.38 0.00 3.15 2.43 -1.92 -3.35 114.38 115.07 1k1x h ARG 427 Ca 0.00 -0.64 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1k1x h ARG 427 Cb 0.76 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1k1x h ARG 427 CO 0.00 1.31 -1.01 1.63 -1.51 0.00 0.00 179.97 180.39 1k1x n LYS 428 N -3.92 0.22 -3.63 0.20 5.02 -1.23 -4.97 118.16 109.84 1k1x n LYS 428 Ca -0.18 -0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 55.87 1k1x n LYS 428 Cb 0.95 -1.56 0.07 0.00 -0.02 0.00 0.00 35.03 34.47 1k1x n LYS 428 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k1x n ALA 429 N -1.75 -1.51 -2.48 7.82 0.00 0.47 -5.01 120.51 118.06 1k1x n ALA 429 Ca 0.02 0.23 -0.20 0.00 0.00 0.00 0.00 53.44 53.50 1k1x n ALA 429 Cb 0.41 -4.44 -0.11 0.00 0.00 0.00 0.00 19.45 15.31 1k1x n ALA 429 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1k1x s VAL 430 N -3.35 1.53 -0.33 0.00 -7.23 -1.18 -3.82 120.40 106.03 1k1x s VAL 430 Ca 0.44 -1.79 -0.08 0.00 -1.81 0.00 0.00 61.98 58.74 1k1x s VAL 430 Cb -0.20 -1.65 0.02 0.00 0.56 0.00 0.00 36.38 35.10 1k1x s VAL 430 CO 0.75 -0.36 0.12 0.21 -0.31 0.00 0.00 175.10 175.51 1k1x s ASN 431 N -2.51 5.36 0.64 4.85 3.04 -1.26 -0.82 114.94 124.23 1k1x s ASN 431 Ca 0.11 -0.86 0.37 0.00 0.04 0.00 0.00 52.86 52.52 1k1x s ASN 431 Cb -0.05 -1.92 2.06 0.00 -1.54 0.00 0.00 41.25 39.79 1k1x s ASN 431 CO 0.04 -0.27 2.25 1.88 -3.04 0.00 0.00 177.10 177.97 1k1x h TYR 432 N 8.29 0.00 -0.58 0.43 -1.99 -1.17 -1.32 116.97 120.63 1k1x h TYR 432 Ca -0.28 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.32 1k1x h TYR 432 Cb 1.11 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.77 1k1x h TYR 432 CO 0.60 0.00 0.14 -1.71 -0.00 0.00 0.00 178.16 177.19 1k1x n ASN 433 N -3.38 4.69 -3.30 3.88 5.15 -1.26 -0.54 115.26 120.50 1k1x n ASN 433 Ca -0.02 -3.17 -0.28 0.00 -0.60 0.00 0.00 54.58 50.51 1k1x n ASN 433 Cb 0.15 -0.69 -0.03 0.00 -0.53 0.00 0.00 39.78 38.69 1k1x n ASN 433 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1k1x n ASP 434 N -0.13 4.37 -4.65 1.20 -0.08 -0.50 -4.80 116.55 111.97 1k1x n ASP 434 Ca 0.34 -2.42 -0.27 0.00 -1.51 0.00 0.00 54.79 50.92 1k1x n ASP 434 Cb 1.23 -1.12 -0.10 0.00 2.34 0.00 0.00 41.12 43.47 1k1x n ASP 434 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1k1x s VAL 435 N 3.77 2.05 -0.02 5.18 1.01 -1.26 -4.69 120.40 126.45 1k1x s VAL 435 Ca 0.44 -1.93 0.02 0.00 0.00 0.00 0.00 61.98 60.51 1k1x s VAL 435 Cb 0.11 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1k1x s VAL 435 CO 0.00 0.00 -0.08 -0.76 0.00 0.00 0.00 175.10 174.26 1k1x s LEU 436 N -3.76 1.84 0.75 3.92 1.43 -1.26 -5.00 118.68 116.60 1k1x s LEU 436 Ca 0.36 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 1k1x s LEU 436 Cb 0.09 -0.45 0.04 0.00 0.03 0.00 0.00 46.19 45.89 1k1x s LEU 436 CO 0.19 0.06 1.08 -2.84 0.23 0.00 0.00 176.35 175.07 1k1x s PRO 437 N 0.09 2.51 -0.32 1.29 0.02 -1.26 -4.90 135.00 132.44 1k1x s PRO 437 Ca -0.01 0.71 -0.24 0.00 0.02 0.00 0.00 61.00 61.48 1k1x s PRO 437 Cb -0.06 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.50 1k1x s PRO 437 CO 0.00 -1.34 0.82 1.03 -0.33 0.00 0.00 177.00 177.19 1k1x s ARG 438 N -5.15 3.95 0.18 5.54 0.52 -1.26 -4.96 118.95 117.76 1k1x s ARG 438 Ca 0.59 0.61 0.09 0.00 -0.52 0.00 0.00 55.73 56.50 1k1x s ARG 438 Cb -0.14 -3.74 -0.04 0.00 0.52 0.00 0.00 34.95 31.55 1k1x s ARG 438 CO 0.54 -0.73 -0.18 1.03 0.02 0.00 0.00 175.30 175.98 1k1x s ARG 439 N 3.07 1.30 0.21 3.54 0.52 -1.26 0.00 118.95 126.33 1k1x s ARG 439 Ca 0.34 -1.46 -0.29 0.00 -0.52 0.00 0.00 55.73 53.80 1k1x s ARG 439 Cb -0.14 -1.31 -0.08 0.00 0.52 0.00 0.00 34.95 33.94 1k1x s ARG 439 CO 0.13 0.26 0.90 -0.46 0.02 0.00 0.00 175.30 176.15 1k1x s TRP 440 N -2.24 3.95 0.03 -0.53 -0.00 -1.26 -4.91 118.94 113.98 1k1x s TRP 440 Ca 0.18 1.83 0.06 0.00 -0.00 0.00 0.00 56.10 58.16 1k1x s TRP 440 Cb -0.05 -2.93 -0.03 0.00 -0.00 0.00 0.00 33.47 30.46 1k1x s TRP 440 CO 0.07 0.45 -0.14 -1.21 -0.00 0.00 0.00 176.95 176.12 1k1x s GLU 441 N -1.04 2.25 0.65 5.86 0.41 -1.26 -4.85 118.70 120.72 1k1x s GLU 441 Ca 0.40 -0.89 0.29 0.00 -0.41 0.00 0.00 54.97 54.37 1k1x s GLU 441 Cb -0.25 -2.30 1.58 0.00 -1.78 0.00 0.00 34.13 31.38 1k1x s GLU 441 CO 0.30 0.56 1.91 1.12 -0.49 0.00 0.00 175.26 178.66 1k1x h HIS 442 N 4.54 0.00 -0.31 1.61 2.07 -1.95 0.97 115.15 122.07 1k1x h HIS 442 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 1k1x h HIS 442 Cb 1.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.14 1k1x h HIS 442 CO 0.55 0.00 0.00 2.48 -3.07 0.00 0.00 177.93 177.89 1k1x n TYR 443 N -3.08 0.40 -3.02 6.12 0.18 -1.26 -4.80 117.16 111.70 1k1x n TYR 443 Ca 0.00 -0.20 -0.39 0.00 1.88 0.00 0.00 57.90 59.19 1k1x n TYR 443 Cb 0.45 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.35 1k1x n TYR 443 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 1k1x s HIS 444 N -1.60 3.88 -0.23 -3.48 3.76 0.33 -5.06 115.29 112.90 1k1x s HIS 444 Ca 0.30 1.58 -0.04 0.00 -0.15 0.00 0.00 55.06 56.74 1k1x s HIS 444 Cb 0.16 -2.72 0.01 0.00 1.11 0.00 0.00 32.58 31.13 1k1x s HIS 444 CO 0.22 0.52 0.27 0.39 -0.85 0.00 0.00 174.74 175.28 1k1x n GLU 445 N 1.56 -0.82 -3.97 1.40 1.02 -1.26 -4.95 120.64 113.62 1k1x n GLU 445 Ca -0.06 1.07 -0.13 0.00 -0.02 0.00 0.00 57.16 58.02 1k1x n GLU 445 Cb 0.49 -3.26 -0.14 0.00 -0.02 0.00 0.00 31.44 28.52 1k1x n GLU 445 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1k1x s GLN 469 N -2.20 0.17 -0.16 3.49 0.74 -1.26 -5.23 119.66 115.21 1k1x s GLN 469 Ca 0.06 -0.13 -0.38 0.00 0.05 0.00 0.00 55.36 54.96 1k1x s GLN 469 Cb -0.02 -0.12 -0.15 0.00 1.10 0.00 0.00 33.01 33.82 1k1x s GLN 469 CO 0.32 0.03 1.69 -0.89 -0.55 0.00 0.00 175.29 175.89 1k1x n ILE 470 N 2.86 0.29 -0.98 -2.34 5.41 -1.26 -4.95 119.36 118.40 1k1x n ILE 470 Ca -0.14 -0.05 -0.29 0.00 1.00 0.00 0.00 62.75 63.27 1k1x n ILE 470 Cb 0.59 -1.29 0.19 0.00 -0.71 0.00 0.00 39.64 38.42 1k1x n ILE 470 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1k1x s PRO 471 N 3.00 0.12 0.13 0.38 0.04 -1.26 -4.83 135.00 132.58 1k1x s PRO 471 Ca 0.94 0.66 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 1k1x s PRO 471 Cb -0.96 -1.69 -0.07 0.00 0.04 0.00 0.00 34.50 31.82 1k1x s PRO 471 CO 0.59 -2.98 1.43 1.49 0.04 0.00 0.00 177.00 177.57 1k1x h GLU 472 N -2.08 0.91 -0.71 4.56 4.57 -1.98 -1.72 114.58 118.13 1k1x h GLU 472 Ca -0.56 -0.54 0.06 0.00 -1.18 0.00 0.00 59.36 57.14 1k1x h GLU 472 Cb 1.33 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.91 1k1x h GLU 472 CO 0.55 1.18 0.41 1.05 -1.18 0.00 0.00 179.01 181.02 1k1x h GLU 473 N 0.71 0.74 0.08 1.92 4.11 -2.01 -1.57 114.58 118.56 1k1x h GLU 473 Ca 0.03 -0.04 -0.26 0.00 0.07 0.00 0.00 59.36 59.16 1k1x h GLU 473 Cb 1.09 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.18 1k1x h GLU 473 CO 0.11 0.49 -1.13 0.82 0.07 0.00 0.00 179.01 179.37 1k1x h ILE 474 N 0.76 1.39 -0.65 -1.06 2.04 -1.94 -3.31 117.51 114.73 1k1x h ILE 474 Ca 0.31 -2.63 0.10 0.00 1.00 0.00 0.00 64.86 63.64 1k1x h ILE 474 Cb 0.17 2.66 -0.07 0.00 -0.74 0.00 0.00 36.82 38.83 1k1x h ILE 474 CO -0.17 0.78 0.27 0.03 0.00 0.00 0.00 178.15 179.06 1k1x h ARG 475 N 0.20 0.45 0.00 2.37 3.08 -0.78 -0.75 114.38 118.94 1k1x h ARG 475 Ca -0.13 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1k1x h ARG 475 Cb 1.80 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.75 1k1x h ARG 475 CO 0.20 0.30 0.00 0.00 -1.07 0.00 0.00 179.97 179.40 1k1x h ARG 476 N 0.46 0.00 -0.02 0.04 3.08 -1.39 -2.42 114.38 114.13 1k1x h ARG 476 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1k1x h ARG 476 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1k1x h ARG 476 CO -0.31 0.00 -0.22 0.39 -1.07 0.00 0.00 179.97 178.76 1k1x n GLU 477 N -2.66 1.65 -2.58 0.04 -0.58 -0.35 -4.97 120.64 111.18 1k1x n GLU 477 Ca 0.00 -1.30 -0.41 0.00 -0.42 0.00 0.00 57.16 55.03 1k1x n GLU 477 Cb 0.19 -1.39 -0.04 0.00 -0.57 0.00 0.00 31.44 29.63 1k1x n GLU 477 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1k1x s LEU 478 N -2.02 4.48 -0.22 -4.62 1.43 -0.81 -4.95 118.68 111.98 1k1x s LEU 478 Ca 0.20 1.99 -0.24 0.00 -1.03 0.00 0.00 54.13 55.05 1k1x s LEU 478 Cb 0.16 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.85 1k1x s LEU 478 CO 0.38 -0.19 0.65 0.00 0.23 0.00 0.00 176.35 177.43 1k1x s ALA 479 N -0.07 -1.63 -0.11 4.21 0.00 -1.26 -4.96 121.76 117.94 1k1x s ALA 479 Ca 0.49 1.77 -0.00 0.00 0.00 0.00 0.00 51.96 54.22 1k1x s ALA 479 Cb -0.27 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 1k1x s ALA 479 CO 0.33 -0.32 -0.10 0.71 0.00 0.00 0.00 175.76 176.38 1k1x s TYR 480 N 0.14 2.86 0.50 0.00 4.12 -1.26 -4.73 117.35 118.98 1k1x s TYR 480 Ca -0.02 -0.38 -0.13 0.00 0.02 0.00 0.00 57.07 56.56 1k1x s TYR 480 Cb -0.04 -1.81 -0.07 0.00 -1.52 0.00 0.00 41.96 38.53 1k1x s TYR 480 CO 0.02 -0.02 0.92 -0.51 0.02 0.00 0.00 175.55 175.99 1k1x s ASP 481 N -0.03 6.51 -0.00 2.29 1.01 0.10 -4.74 116.67 121.81 1k1x s ASP 481 Ca -0.02 1.40 0.04 0.00 0.71 0.00 0.00 52.55 54.68 1k1x s ASP 481 Cb -0.14 -2.44 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 1k1x s ASP 481 CO 0.04 -0.58 0.16 -2.67 0.21 0.00 0.00 175.17 172.33 1k1x n TRP 482 N -1.73 0.00 -4.26 4.23 4.27 -1.26 -4.89 117.44 113.80 1k1x n TRP 482 Ca 0.05 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 53.34 1k1x n TRP 482 Cb 0.54 -0.01 -0.09 0.00 -1.36 0.00 0.00 31.31 30.39 1k1x n TRP 482 CO 0.00 0.00 0.00 1.14 -2.29 0.00 0.00 177.69 176.54 1k1x s GLN 483 N -1.50 2.77 0.65 -2.67 -2.07 -1.26 -5.07 119.66 110.51 1k1x s GLN 483 Ca 0.01 -0.63 -0.11 0.00 -1.82 0.00 0.00 55.36 52.81 1k1x s GLN 483 Cb 0.03 -2.66 -0.02 0.00 -1.09 0.00 0.00 33.01 29.27 1k1x s GLN 483 CO 0.17 0.62 1.04 -0.51 -1.32 0.00 0.00 175.29 175.29 1k1x s LEU 484 N -1.65 3.20 -0.21 2.60 1.43 -1.26 -4.88 118.68 117.91 1k1x s LEU 484 Ca 0.20 1.50 -0.04 0.00 -1.03 0.00 0.00 54.13 54.77 1k1x s LEU 484 Cb -0.12 -4.48 -0.01 0.00 0.03 0.00 0.00 46.19 41.61 1k1x s LEU 484 CO 0.11 -1.09 -0.04 -0.13 0.23 0.00 0.00 176.35 175.42 1k1x s ARG 485 N -5.11 3.41 0.00 1.70 0.52 -1.26 -5.06 118.95 113.15 1k1x s ARG 485 Ca 0.56 -0.61 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 1k1x s ARG 485 Cb -0.12 -2.98 0.00 0.00 0.52 0.00 0.00 34.95 32.36 1k1x s ARG 485 CO 0.54 -0.13 0.00 0.00 0.02 0.00 0.00 175.30 175.73 1k1x n ALA 486 N 4.59 0.00 -3.65 2.13 0.00 -1.26 -4.91 120.51 117.41 1k1x n ALA 486 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.95 1k1x n ALA 486 Cb 0.51 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.80 1k1x n ALA 486 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1k1x s ILE 487 N 0.38 1.82 0.00 0.00 1.01 -0.26 -1.49 121.20 122.66 1k1x s ILE 487 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.81 1k1x s ILE 487 Cb 0.00 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.84 1k1x s ILE 487 CO 0.00 0.50 0.00 0.18 0.00 0.00 0.00 174.94 175.62 1k1x n LEU 488 N 4.11 -2.00 -4.41 2.97 4.77 0.48 -0.66 117.00 122.27 1k1x n LEU 488 Ca -0.20 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.41 1k1x n LEU 488 Cb 0.51 -0.64 -0.12 0.00 -2.33 0.00 0.00 43.42 40.84 1k1x n LEU 488 CO 0.26 0.00 -0.24 -1.10 -1.33 0.00 0.00 177.39 174.98 1k1x s GLN 489 N -3.00 3.31 -0.33 3.23 -0.21 -0.39 -4.33 119.66 117.94 1k1x s GLN 489 Ca 0.00 -0.72 -0.28 0.00 0.02 0.00 0.00 55.36 54.38 1k1x s GLN 489 Cb 0.00 -3.46 0.02 0.00 1.00 0.00 0.00 33.01 30.56 1k1x s GLN 489 CO 0.00 -0.39 1.03 -0.51 -2.12 0.00 0.00 175.29 173.30 1k1x s ASP 490 N 1.58 6.85 0.47 5.90 1.01 -1.26 -0.80 116.67 130.42 1k1x s ASP 490 Ca 0.04 0.91 0.07 0.00 0.71 0.00 0.00 52.55 54.28 1k1x s ASP 490 Cb -0.17 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.25 1k1x s ASP 490 CO 0.05 -0.87 0.40 -1.00 0.21 0.00 0.00 175.17 173.96 1k1x s HIS 491 N 3.61 2.23 -0.27 4.23 3.76 0.23 -3.25 115.29 125.82 1k1x s HIS 491 Ca 0.43 -0.64 -0.00 0.00 -0.15 0.00 0.00 55.06 54.70 1k1x s HIS 491 Cb -0.12 -2.07 0.16 0.00 1.11 0.00 0.00 32.58 31.66 1k1x s HIS 491 CO 0.17 -0.30 0.46 -0.06 -0.85 0.00 0.00 174.74 174.15 1k1x s PHE 492 N -2.60 -1.15 0.20 1.40 0.40 -1.26 -2.15 117.98 112.81 1k1x s PHE 492 Ca 0.44 0.95 0.05 0.00 -0.60 0.00 0.00 56.93 57.77 1k1x s PHE 492 Cb -0.02 0.14 -0.05 0.00 0.51 0.00 0.00 43.02 43.60 1k1x s PHE 492 CO 0.26 -0.85 -0.08 0.96 0.70 0.00 0.00 175.22 176.20 1k1x s ILE 493 N 2.65 1.34 0.23 0.64 -4.36 -0.69 -0.22 121.20 120.78 1k1x s ILE 493 Ca 0.14 -2.10 -0.30 0.00 -0.26 0.00 0.00 60.65 58.13 1k1x s ILE 493 Cb -0.14 -2.10 -0.09 0.00 1.25 0.00 0.00 42.46 41.38 1k1x s ILE 493 CO -0.21 -0.55 1.15 -0.54 0.24 0.00 0.00 174.94 175.03 1k1x s LYS 494 N -3.75 4.56 0.33 0.37 1.02 -1.26 -1.40 119.74 119.60 1k1x s LYS 494 Ca 0.23 1.84 0.11 0.00 0.02 0.00 0.00 55.97 58.17 1k1x s LYS 494 Cb 0.03 -3.22 0.99 0.00 -0.52 0.00 0.00 37.83 35.11 1k1x s LYS 494 CO 0.06 0.05 1.66 -1.35 -0.92 0.00 0.00 175.35 174.85 1k1x h PRO 495 N 4.55 0.30 -0.00 -1.68 0.11 -1.89 0.31 132.00 133.69 1k1x h PRO 495 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1k1x h PRO 495 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1k1x h PRO 495 CO 0.71 0.20 -0.00 -0.85 -0.21 0.00 0.00 178.00 177.84 1k1x n GLU 496 N -5.09 1.02 -1.83 1.05 0.00 -1.26 -4.89 120.64 109.64 1k1x n GLU 496 Ca 0.29 -0.06 -0.40 0.00 0.00 0.00 0.00 57.16 56.99 1k1x n GLU 496 Cb 0.90 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.85 1k1x n GLU 496 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1k1x s GLU 497 N -2.02 3.87 0.29 3.44 2.56 0.11 -5.01 118.70 121.95 1k1x s GLU 497 Ca 0.47 2.45 0.06 0.00 0.00 0.00 0.00 54.97 57.95 1k1x s GLU 497 Cb 0.22 -2.78 -0.02 0.00 2.00 0.00 0.00 34.13 33.54 1k1x s GLU 497 CO 0.37 -0.68 0.35 0.95 -0.56 0.00 0.00 175.26 175.70 1k1x s THR 498 N -1.18 4.40 0.04 -1.70 -4.23 -1.26 -5.03 115.64 106.67 1k1x s THR 498 Ca 0.57 -1.14 -0.28 0.00 -1.18 0.00 0.00 61.69 59.67 1k1x s THR 498 Cb -0.44 -3.50 -0.17 0.00 1.34 0.00 0.00 72.50 69.73 1k1x s THR 498 CO 0.58 -0.25 1.41 0.25 -0.54 0.00 0.00 174.62 176.07 1k1x h LEU 499 N 1.15 -0.48 -0.79 4.79 7.12 -1.98 -2.45 115.31 122.66 1k1x h LEU 499 Ca -0.48 -0.08 0.18 0.00 0.13 0.00 0.00 57.88 57.64 1k1x h LEU 499 Cb 1.24 0.12 -0.12 0.00 -0.53 0.00 0.00 40.66 41.38 1k1x h LEU 499 CO 0.58 -0.20 0.22 0.44 -0.13 0.00 0.00 178.44 179.34 1k1x h ASP 500 N -0.76 0.05 -0.35 1.25 3.45 -1.96 1.99 116.42 120.09 1k1x h ASP 500 Ca -0.06 0.16 0.04 0.00 0.43 0.00 0.00 57.03 57.60 1k1x h ASP 500 Cb 0.53 0.20 -0.04 0.00 -0.56 0.00 0.00 39.33 39.47 1k1x h ASP 500 CO 0.10 -0.05 0.13 0.78 -1.57 0.00 0.00 179.24 178.62 1k1x h ASN 501 N 0.28 0.15 -0.09 6.45 4.21 -1.82 0.33 115.58 125.08 1k1x h ASN 501 Ca 0.46 0.03 -0.03 0.00 1.21 0.00 0.00 56.30 57.98 1k1x h ASN 501 Cb 0.83 0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 38.05 1k1x h ASN 501 CO -0.55 0.12 -0.06 0.22 -1.29 0.00 0.00 177.43 175.88 1k1x h TYR 502 N 0.28 0.24 -0.21 1.19 3.20 -0.01 -1.18 116.97 120.48 1k1x h TYR 502 Ca 0.16 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 62.01 1k1x h TYR 502 Cb 0.12 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.26 1k1x h TYR 502 CO -0.13 0.58 -0.46 -0.09 -1.64 0.00 0.00 178.16 176.42 1k1x h ARG 503 N -0.17 -0.46 -7.74 1.82 2.43 0.32 -3.38 114.38 107.20 1k1x h ARG 503 Ca 0.02 0.03 -0.45 0.00 -0.81 0.00 0.00 59.98 58.77 1k1x h ARG 503 Cb 0.53 0.10 0.15 0.00 -0.42 0.00 0.00 29.97 30.32 1k1x h ARG 503 CO 0.02 -0.30 0.41 -0.51 -1.51 0.00 0.00 179.97 178.07 1k1x s LEU 504 N -10.38 2.56 -0.99 3.80 1.43 0.09 -4.95 118.68 110.23 1k1x s LEU 504 Ca -0.15 0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1k1x s LEU 504 Cb 0.09 -2.63 0.31 0.00 0.03 0.00 0.00 46.19 44.00 1k1x s LEU 504 CO 0.64 -2.54 1.58 0.52 0.23 0.00 0.00 176.35 176.78 1k1x n VAL 505 N -3.67 5.40 -0.07 -1.59 0.31 -1.25 -4.52 118.33 112.92 1k1x n VAL 505 Ca 0.13 -5.90 -0.14 0.00 -0.01 0.00 0.00 64.34 58.41 1k1x n VAL 505 Cb 0.60 -1.75 -0.06 0.00 -0.91 0.00 0.00 33.84 31.72 1k1x n VAL 505 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1k1x n LYS 506 N 0.45 0.33 -0.66 5.55 5.02 -0.52 -5.01 118.16 123.31 1k1x n LYS 506 Ca 0.37 0.12 -0.23 0.00 -2.02 0.00 0.00 58.31 56.56 1k1x n LYS 506 Cb 0.30 -1.10 0.02 0.00 -0.02 0.00 0.00 35.03 34.23 1k1x n LYS 506 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1k1x n TYR 507 N -3.45 -2.90 -3.31 2.13 0.18 -0.77 -4.88 117.16 104.16 1k1x n TYR 507 Ca -0.28 0.05 -0.43 0.00 1.88 0.00 0.00 57.90 59.12 1k1x n TYR 507 Cb 0.73 -0.93 -0.09 0.00 -0.38 0.00 0.00 39.34 38.67 1k1x n TYR 507 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1k1x s HIS 508 N -1.25 3.17 -0.36 -3.48 5.65 -1.26 -4.99 115.29 112.77 1k1x s HIS 508 Ca 0.28 -0.34 -0.27 0.00 0.25 0.00 0.00 55.06 54.98 1k1x s HIS 508 Cb -0.16 -2.90 0.02 0.00 -1.18 0.00 0.00 32.58 28.35 1k1x s HIS 508 CO 0.49 -0.69 0.98 -2.00 -0.65 0.00 0.00 174.74 172.87 1k1x s GLU 509 N 2.16 3.90 0.01 2.88 2.56 -1.26 -4.49 118.70 124.46 1k1x s GLU 509 Ca 0.13 0.72 0.01 0.00 0.00 0.00 0.00 54.97 55.82 1k1x s GLU 509 Cb -0.17 -3.79 -0.26 0.00 2.00 0.00 0.00 34.13 31.91 1k1x s GLU 509 CO 0.14 -0.96 0.89 -0.07 -0.56 0.00 0.00 175.26 174.70 1k1x h LEU 510 N 10.16 0.27-10.49 2.70 3.38 -0.85 -3.48 115.31 117.00 1k1x h LEU 510 Ca -0.22 -0.38 -0.46 0.00 0.09 0.00 0.00 57.88 56.91 1k1x h LEU 510 Cb 1.07 -0.09 0.06 0.00 0.09 0.00 0.00 40.66 41.79 1k1x h LEU 510 CO 1.01 1.31 0.10 -0.83 0.09 0.00 0.00 178.44 180.12 1k1x s GLY 511 N -4.94 1.69 -0.35 0.83 0.00 -1.21 -1.40 107.32 101.94 1k1x s GLY 511 Ca -0.07 -0.99 0.11 0.00 0.00 0.00 0.00 44.72 43.77 1k1x s GLY 511 CO 0.84 -0.67 1.10 2.09 0.00 0.00 0.00 173.10 176.46 1k1x n ASP 512 N -2.57 3.70 -0.00 1.64 5.75 -1.23 -4.76 116.55 119.07 1k1x n ASP 512 Ca 0.06 -3.29 0.05 0.00 -0.01 0.00 0.00 54.79 51.60 1k1x n ASP 512 Cb 0.59 -0.44 -0.07 0.00 -1.03 0.00 0.00 41.12 40.17 1k1x n ASP 512 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1k1x n PHE 513 N -0.49 0.00 0.26 2.11 3.01 -1.26 -4.35 117.46 116.74 1k1x n PHE 513 Ca 0.30 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.61 1k1x n PHE 513 Cb 0.80 -0.15 -0.08 0.00 -0.01 0.00 0.00 39.48 40.04 1k1x n PHE 513 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1k1x h VAL 514 N 0.00 0.54 -0.42 -4.37 2.07 -1.85 -3.32 116.25 108.90 1k1x h VAL 514 Ca 0.00 -0.15 -0.18 0.00 0.82 0.00 0.00 66.70 67.18 1k1x h VAL 514 Cb 0.36 0.61 -0.11 0.00 -1.52 0.00 0.00 31.29 30.63 1k1x h VAL 514 CO 0.00 0.03 0.03 -0.46 0.02 0.00 0.00 177.57 177.19 1k1x n ASN 515 N -5.32 2.97 -4.43 0.57 2.04 -1.26 -3.08 115.26 106.74 1k1x n ASN 515 Ca -0.11 -3.59 -0.27 0.00 -0.44 0.00 0.00 54.58 50.17 1k1x n ASN 515 Cb 0.28 -0.64 -0.12 0.00 -2.53 0.00 0.00 39.78 36.77 1k1x n ASN 515 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 1k1x s GLN 516 N -3.16 1.55 0.75 -3.83 -1.52 -1.25 -4.69 119.66 107.51 1k1x s GLN 516 Ca 0.46 -1.54 -0.14 0.00 -1.95 0.00 0.00 55.36 52.19 1k1x s GLN 516 Cb 0.40 -1.85 0.05 0.00 -0.22 0.00 0.00 33.01 31.40 1k1x s GLN 516 CO 0.03 0.39 1.19 -1.25 -0.25 0.00 0.00 175.29 175.40 1k1x s PRO 517 N -2.75 2.03 0.06 2.91 0.04 -0.94 -0.21 135.00 136.14 1k1x s PRO 517 Ca 0.22 1.68 0.04 0.00 0.04 0.00 0.00 61.00 62.98 1k1x s PRO 517 Cb -0.08 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1k1x s PRO 517 CO 0.10 -1.90 -0.13 0.71 0.04 0.00 0.00 177.00 175.82 1k1x s TYR 518 N -2.14 1.09 0.54 0.56 1.51 -0.46 -4.80 117.35 113.65 1k1x s TYR 518 Ca 0.72 -0.46 -0.07 0.00 -1.01 0.00 0.00 57.07 56.26 1k1x s TYR 518 Cb -0.27 -0.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.92 1k1x s TYR 518 CO 0.47 0.03 0.87 -1.21 -1.11 0.00 0.00 175.55 174.60 1k1x s GLU 519 N -1.65 3.45 0.09 -0.62 0.41 0.83 -4.61 118.70 116.60 1k1x s GLU 519 Ca -0.03 0.32 -0.09 0.00 -0.41 0.00 0.00 54.97 54.75 1k1x s GLU 519 Cb -0.10 -2.28 -0.00 0.00 -1.78 0.00 0.00 34.13 29.97 1k1x s GLU 519 CO 0.02 -0.39 0.20 1.52 -0.49 0.00 0.00 175.26 176.12 1k1x s TYR 520 N -2.90 0.13 -0.04 1.61 -0.85 -1.26 -1.54 117.35 112.51 1k1x s TYR 520 Ca 0.50 -0.55 -0.02 0.00 -0.52 0.00 0.00 57.07 56.49 1k1x s TYR 520 Cb -0.11 -0.05 0.03 0.00 0.38 0.00 0.00 41.96 42.22 1k1x s TYR 520 CO 0.47 -0.54 0.07 -2.00 -1.52 0.00 0.00 175.55 172.04 1k1x s GLU 521 N -3.77 -0.03 0.23 -3.49 2.12 0.21 -4.96 118.70 109.01 1k1x s GLU 521 Ca 0.04 0.33 -0.30 0.00 0.36 0.00 0.00 54.97 55.41 1k1x s GLU 521 Cb 0.04 -0.34 -0.09 0.00 0.26 0.00 0.00 34.13 34.01 1k1x s GLU 521 CO -0.11 -0.25 1.25 -1.64 -0.54 0.00 0.00 175.26 173.97 1k1x s MET 522 N 1.65 4.45 0.05 4.30 -1.94 -1.26 -0.44 119.30 126.11 1k1x s MET 522 Ca -0.02 1.99 0.01 0.00 -1.71 0.00 0.00 55.69 55.96 1k1x s MET 522 Cb -0.12 -3.19 -0.03 0.00 2.01 0.00 0.00 34.83 33.50 1k1x s MET 522 CO -0.04 -0.13 -0.06 0.96 -0.01 0.00 0.00 175.02 175.74 1k1x s ILE 523 N -0.30 0.45 -0.16 2.53 -4.36 -0.99 -4.90 121.20 113.47 1k1x s ILE 523 Ca 0.53 -1.34 -0.37 0.00 -0.26 0.00 0.00 60.65 59.21 1k1x s ILE 523 Cb -0.35 -0.91 -0.13 0.00 1.25 0.00 0.00 42.46 42.31 1k1x s ILE 523 CO 0.40 -0.60 1.81 -0.62 0.24 0.00 0.00 174.94 176.17 1k1x n GLU 524 N 0.96 1.73 -1.24 0.37 4.71 -1.26 -0.91 120.64 125.00 1k1x n GLU 524 Ca -0.19 0.63 -0.08 0.00 -0.01 0.00 0.00 57.16 57.51 1k1x n GLU 524 Cb 0.57 -2.41 -0.04 0.00 -1.01 0.00 0.00 31.44 28.56 1k1x n GLU 524 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1k1x n ASN 525 N 5.96 -4.09 0.00 1.62 3.02 -1.26 -4.91 115.26 115.60 1k1x n ASN 525 Ca 0.24 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 1k1x n ASN 525 Cb 0.22 -2.33 0.00 0.00 -0.61 0.00 0.00 39.78 37.06 1k1x n ASN 525 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k1x n GLY 526 N -1.86 -0.62 3.26 7.41 0.00 -0.09 0.86 105.19 114.15 1k1x n GLY 526 Ca -0.08 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1k1x n GLY 526 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k1x s VAL 527 N -3.32 0.04 -0.19 1.61 1.01 0.18 -2.36 120.40 117.38 1k1x s VAL 527 Ca 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 1k1x s VAL 527 Cb 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1k1x s VAL 527 CO 0.00 -0.20 -0.07 -0.75 0.00 0.00 0.00 175.10 174.08 1k1x s LYS 528 N -1.03 3.38 0.14 2.72 2.20 0.42 -0.51 119.74 127.05 1k1x s LYS 528 Ca -0.11 -0.64 0.08 0.00 -0.36 0.00 0.00 55.97 54.94 1k1x s LYS 528 Cb -0.04 -2.90 -0.04 0.00 -1.51 0.00 0.00 37.83 33.34 1k1x s LYS 528 CO 0.04 -0.07 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.26 1k1x s LEU 529 N 1.14 2.39 -0.04 5.43 1.02 -0.35 0.66 118.68 128.92 1k1x s LEU 529 Ca 0.01 -0.80 -0.27 0.00 0.02 0.00 0.00 54.13 53.10 1k1x s LEU 529 Cb -0.14 -0.80 0.06 0.00 0.02 0.00 0.00 46.19 45.32 1k1x s LEU 529 CO -0.01 -0.02 0.59 -1.66 0.02 0.00 0.00 176.35 175.26 1k1x s TRP 530 N -1.77 -0.54 -0.03 0.29 -2.14 -0.59 -0.77 118.94 113.39 1k1x s TRP 530 Ca 0.12 0.93 0.00 0.00 2.66 0.00 0.00 56.10 59.80 1k1x s TRP 530 Cb -0.07 0.33 0.03 0.00 -3.10 0.00 0.00 33.47 30.66 1k1x s TRP 530 CO 0.05 -0.55 0.00 0.50 -2.66 0.00 0.00 176.95 174.30 1k1x s ARG 531 N -1.19 0.30 -1.01 3.25 3.52 0.06 -0.12 118.95 123.75 1k1x s ARG 531 Ca -0.11 0.10 -0.17 0.00 -0.13 0.00 0.00 55.73 55.42 1k1x s ARG 531 Cb -0.01 -0.52 0.16 0.00 -1.56 0.00 0.00 34.95 33.01 1k1x s ARG 531 CO 0.08 -0.16 1.19 -1.21 -0.81 0.00 0.00 175.30 174.39 1k1x s GLU 532 N 1.17 3.77 0.00 5.12 0.41 -1.26 -1.92 118.70 125.98 1k1x s GLU 532 Ca -0.08 -2.11 0.00 0.00 -0.41 0.00 0.00 54.97 52.37 1k1x s GLU 532 Cb -0.13 -4.91 0.00 0.00 -1.78 0.00 0.00 34.13 27.31 1k1x s GLU 532 CO -0.02 -1.71 0.00 0.41 -0.49 0.00 0.00 175.26 173.45 1k1x n GLY 533 N 4.86 2.93 3.53 -1.39 0.00 -0.66 -4.98 105.19 109.49 1k1x n GLY 533 Ca 0.27 -1.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 1k1x n GLY 533 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k1x s GLY 534 N 0.00 -0.40 -0.46 -0.02 0.00 -1.26 -2.28 107.32 102.89 1k1x s GLY 534 Ca 0.00 1.24 -0.07 0.00 0.00 0.00 0.00 44.72 45.89 1k1x s GLY 534 CO 0.00 0.43 0.31 0.14 0.00 0.00 0.00 173.10 173.98 1k1x s VAL 535 N -2.81 3.94 -0.12 1.40 1.01 -0.01 -3.54 120.40 120.28 1k1x s VAL 535 Ca 0.06 -1.90 -0.25 0.00 0.00 0.00 0.00 61.98 59.89 1k1x s VAL 535 Cb -0.01 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1k1x s VAL 535 CO -0.07 -0.76 0.81 -0.31 0.00 0.00 0.00 175.10 174.77 1k1x s TYR 536 N 1.26 3.49 0.00 5.22 1.51 -0.49 -2.24 117.35 126.09 1k1x s TYR 536 Ca 0.07 1.30 0.00 0.00 -1.01 0.00 0.00 57.07 57.43 1k1x s TYR 536 Cb -0.25 -2.97 0.00 0.00 -0.11 0.00 0.00 41.96 38.63 1k1x s TYR 536 CO -0.02 -0.13 0.00 0.00 -1.11 0.00 0.00 175.55 174.29 1k1x n ALA 537 N 4.70 0.77 0.35 3.71 0.00 -1.26 -4.59 120.51 124.19 1k1x n ALA 537 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.57 1k1x n ALA 537 Cb 0.50 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.80 1k1x n ALA 537 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1k1x n GLU 538 N -0.03 0.46 -3.49 0.00 4.71 -1.26 -4.97 120.64 116.06 1k1x n GLU 538 Ca 0.00 -0.12 -0.12 0.00 -0.01 0.00 0.00 57.16 56.90 1k1x n GLU 538 Cb 0.00 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 28.90 1k1x n GLU 538 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 1k1x s GLU 539 N -3.29 0.99 -0.50 3.49 -1.05 -1.26 -5.12 118.70 111.96 1k1x s GLU 539 Ca -0.02 -0.16 -0.28 0.00 -0.15 0.00 0.00 54.97 54.36 1k1x s GLU 539 Cb 0.14 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.30 1k1x s GLU 539 CO 0.88 -0.39 1.51 0.21 0.95 0.00 0.00 175.26 178.42 1k1x s LYS 540 N -2.58 3.30 -0.77 -4.83 2.20 -1.26 -4.51 119.74 111.30 1k1x s LYS 540 Ca -0.01 0.72 -0.15 0.00 -0.36 0.00 0.00 55.97 56.17 1k1x s LYS 540 Cb -0.01 -4.14 0.20 0.00 -1.51 0.00 0.00 37.83 32.37 1k1x s LYS 540 CO -0.04 -1.92 0.72 0.42 -0.36 0.00 0.00 175.35 174.16 1k1x s ILE 541 N 6.34 5.50 -0.00 5.43 1.01 -0.95 -4.92 121.20 133.61 1k1x s ILE 541 Ca 0.60 -2.23 -0.37 0.00 0.00 0.00 0.00 60.65 58.65 1k1x s ILE 541 Cb -0.13 -4.45 -0.16 0.00 0.01 0.00 0.00 42.46 37.73 1k1x s ILE 541 CO 0.28 -1.01 1.51 -0.81 0.00 0.00 0.00 174.94 174.91 1k1x n PRO 542 N 4.33 1.38 -4.43 2.79 -0.04 -1.26 -0.83 135.00 136.94 1k1x n PRO 542 Ca 0.08 0.50 -0.21 0.00 -0.04 0.00 0.00 63.50 63.83 1k1x n PRO 542 Cb 0.45 -2.19 -0.10 0.00 -0.04 0.00 0.00 33.50 31.63 1k1x n PRO 542 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k1x s ALA 543 N 1.53 2.32 -0.02 0.55 0.00 -0.97 -1.45 121.76 123.73 1k1x s ALA 543 Ca 0.87 -1.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.00 1k1x s ALA 543 Cb -0.92 0.79 0.02 0.00 0.00 0.00 0.00 23.12 23.01 1k1x s ALA 543 CO 0.50 -0.36 0.03 0.50 0.00 0.00 0.00 175.76 176.43 1k1x s ARG 544 N -3.89 -0.02 -0.13 0.00 3.52 -0.18 -1.65 118.95 116.61 1k1x s ARG 544 Ca 0.34 0.15 0.00 0.00 -0.13 0.00 0.00 55.73 56.09 1k1x s ARG 544 Cb 0.07 -0.17 -0.01 0.00 -1.56 0.00 0.00 34.95 33.28 1k1x s ARG 544 CO 0.15 -0.12 -0.15 0.08 -0.81 0.00 0.00 175.30 174.45 1k1x s VAL 545 N 0.77 2.89 -0.08 7.11 1.01 -0.81 -1.44 120.40 129.85 1k1x s VAL 545 Ca -0.06 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1k1x s VAL 545 Cb -0.09 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1k1x s VAL 545 CO -0.02 0.53 -0.19 -1.61 0.00 0.00 0.00 175.10 173.80 1k1x s GLU 546 N 0.37 2.48 -0.04 2.72 2.02 -0.87 -0.76 118.70 124.61 1k1x s GLU 546 Ca -0.12 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1k1x s GLU 546 Cb -0.16 -1.93 0.03 0.00 0.10 0.00 0.00 34.13 32.16 1k1x s GLU 546 CO 0.06 0.13 0.00 -1.59 0.02 0.00 0.00 175.26 173.88 1k1x s LYS 547 N 0.44 0.37 -0.33 1.61 -2.85 0.05 -1.41 119.74 117.63 1k1x s LYS 547 Ca -0.16 0.08 -0.09 0.00 -1.00 0.00 0.00 55.97 54.80 1k1x s LYS 547 Cb -0.17 -0.59 0.01 0.00 -2.06 0.00 0.00 37.83 35.02 1k1x s LYS 547 CO 0.07 -0.17 0.15 0.21 0.10 0.00 0.00 175.35 175.71 1k1x s LYS 548 N 1.23 3.02 -0.19 1.78 2.20 0.00 -1.21 119.74 126.58 1k1x s LYS 548 Ca -0.07 -0.93 -0.04 0.00 -0.36 0.00 0.00 55.97 54.58 1k1x s LYS 548 Cb -0.13 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1k1x s LYS 548 CO -0.02 -0.55 -0.03 0.42 -0.36 0.00 0.00 175.35 174.81 1k1x s ILE 549 N 1.54 3.69 -0.00 5.43 1.01 0.33 -0.58 121.20 132.62 1k1x s ILE 549 Ca 0.03 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.30 1k1x s ILE 549 Cb -0.18 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 1k1x s ILE 549 CO 0.05 0.44 -0.11 -1.61 0.00 0.00 0.00 174.94 173.72 1k1x s GLU 550 N 0.99 0.85 0.23 2.79 2.02 -0.05 0.50 118.70 126.03 1k1x s GLU 550 Ca 0.01 -0.42 -0.27 0.00 0.02 0.00 0.00 54.97 54.31 1k1x s GLU 550 Cb -0.15 -0.82 -0.09 0.00 0.10 0.00 0.00 34.13 33.17 1k1x s GLU 550 CO 0.01 0.22 0.87 -0.51 0.02 0.00 0.00 175.26 175.87 1k1x s LEU 551 N -0.37 4.54 0.30 1.80 1.43 0.25 -0.63 118.68 126.00 1k1x s LEU 551 Ca 0.03 1.78 0.08 0.00 -1.03 0.00 0.00 54.13 55.00 1k1x s LEU 551 Cb -0.05 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 1k1x s LEU 551 CO -0.00 0.12 -0.10 0.42 0.23 0.00 0.00 176.35 177.02 1k1x s THR 552 N -1.30 1.98 -0.17 5.49 -4.23 0.07 -4.89 115.64 112.59 1k1x s THR 552 Ca 0.42 -2.20 0.23 0.00 -1.18 0.00 0.00 61.69 58.96 1k1x s THR 552 Cb -0.23 -2.48 0.23 0.00 1.34 0.00 0.00 72.50 71.36 1k1x s THR 552 CO 0.27 -0.29 1.69 1.05 -0.54 0.00 0.00 174.62 176.80 1k1x h GLU 553 N 2.20 0.00 0.00 3.99 4.11 -2.00 -2.63 114.58 120.25 1k1x h GLU 553 Ca -0.41 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.93 1k1x h GLU 553 Cb 1.24 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.28 1k1x h GLU 553 CO 0.67 0.00 -0.79 -0.40 0.07 0.00 0.00 179.01 178.56 1k1x n ASP 554 N -2.29 1.29 0.00 3.06 5.75 -1.26 -4.79 116.55 118.31 1k1x n ASP 554 Ca -0.01 -2.80 0.00 0.00 -0.01 0.00 0.00 54.79 51.96 1k1x n ASP 554 Cb 0.04 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 1k1x n ASP 554 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k1x n GLY 555 N -0.21 0.35 3.43 6.12 0.00 -0.99 -0.10 105.19 113.79 1k1x n GLY 555 Ca 0.11 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 1k1x n GLY 555 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1k1x s PHE 556 N 0.00 -0.13 -0.02 1.61 -0.12 -1.05 -0.75 117.98 117.53 1k1x s PHE 556 Ca 0.00 -0.20 0.03 0.00 -0.05 0.00 0.00 56.93 56.71 1k1x s PHE 556 Cb 0.00 0.32 -0.00 0.00 -0.63 0.00 0.00 43.02 42.71 1k1x s PHE 556 CO 0.00 -0.83 -0.11 -1.50 -0.05 0.00 0.00 175.22 172.74 1k1x s ILE 557 N -3.85 0.87 -0.13 -4.49 2.07 0.19 -0.60 121.20 115.26 1k1x s ILE 557 Ca 0.07 -0.44 -0.00 0.00 -1.41 0.00 0.00 60.65 58.87 1k1x s ILE 557 Cb 0.00 -0.75 0.03 0.00 0.13 0.00 0.00 42.46 41.87 1k1x s ILE 557 CO -0.06 0.26 -0.08 0.00 -1.91 0.00 0.00 174.94 173.15 1k1x s ALA 558 N -0.01 1.40 -0.33 1.50 0.00 0.72 -0.87 121.76 124.18 1k1x s ALA 558 Ca -0.00 -0.63 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 1k1x s ALA 558 Cb -0.07 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 1k1x s ALA 558 CO 0.00 -0.48 0.35 0.15 0.00 0.00 0.00 175.76 175.79 1k1x s LYS 559 N 1.68 3.66 0.12 0.00 1.02 0.25 -0.92 119.74 125.54 1k1x s LYS 559 Ca 0.04 -0.34 0.01 0.00 0.02 0.00 0.00 55.97 55.70 1k1x s LYS 559 Cb -0.13 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 1k1x s LYS 559 CO -0.08 -0.46 0.27 0.71 -0.92 0.00 0.00 175.35 174.86 1k1x s TYR 560 N 2.01 3.50 -0.30 3.18 1.51 0.49 -0.82 117.35 126.92 1k1x s TYR 560 Ca 0.12 0.22 0.03 0.00 -1.01 0.00 0.00 57.07 56.43 1k1x s TYR 560 Cb -0.16 -1.74 0.17 0.00 -0.11 0.00 0.00 41.96 40.11 1k1x s TYR 560 CO 0.11 0.53 0.44 0.50 -1.11 0.00 0.00 175.55 176.02 1k1x s ARG 561 N -2.90 0.47 -0.18 -0.62 3.52 -0.50 -2.74 118.95 116.00 1k1x s ARG 561 Ca 0.35 0.09 -0.09 0.00 -0.13 0.00 0.00 55.73 55.96 1k1x s ARG 561 Cb -0.12 -0.24 -0.05 0.00 -1.56 0.00 0.00 34.95 32.98 1k1x s ARG 561 CO 0.28 -1.06 0.12 0.08 -0.81 0.00 0.00 175.30 173.92 1k1x s VAL 562 N 2.47 5.34 -0.08 7.11 1.01 -0.31 -2.05 120.40 133.88 1k1x s VAL 562 Ca 0.10 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 1k1x s VAL 562 Cb -0.12 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 32.88 1k1x s VAL 562 CO -0.27 0.49 -0.02 -0.22 0.00 0.00 0.00 175.10 175.08 1k1x s LEU 563 N 0.00 0.73 -0.15 3.92 2.96 -0.52 -1.53 118.68 124.09 1k1x s LEU 563 Ca 0.09 -0.13 -0.11 0.00 -0.22 0.00 0.00 54.13 53.76 1k1x s LEU 563 Cb -0.11 -0.53 -0.05 0.00 0.50 0.00 0.00 46.19 46.00 1k1x s LEU 563 CO -0.00 -0.17 0.20 -0.76 -1.32 0.00 0.00 176.35 174.29 1k1x s LEU 564 N 1.89 4.28 0.54 -0.68 1.43 -0.54 -1.01 118.68 124.59 1k1x s LEU 564 Ca 0.05 0.42 0.26 0.00 -1.03 0.00 0.00 54.13 53.83 1k1x s LEU 564 Cb -0.12 -2.20 1.55 0.00 0.03 0.00 0.00 46.19 45.45 1k1x s LEU 564 CO -0.06 0.23 2.15 -0.08 0.23 0.00 0.00 176.35 178.82 1k1x h GLU 565 N 6.10 0.00 -3.55 1.70 4.81 -1.55 -3.43 114.58 118.66 1k1x h GLU 565 Ca -0.45 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.62 1k1x h GLU 565 Cb 1.18 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.34 1k1x h GLU 565 CO 0.70 0.06 -0.53 0.15 -0.73 0.00 0.00 179.01 178.67 1k1x s LYS 566 N -4.52 0.41 0.26 1.92 1.02 -1.26 -5.08 119.74 112.49 1k1x s LYS 566 Ca -0.04 -0.33 -0.30 0.00 0.02 0.00 0.00 55.97 55.32 1k1x s LYS 566 Cb 0.15 0.17 -0.14 0.00 -0.52 0.00 0.00 37.83 37.49 1k1x s LYS 566 CO 0.59 -0.09 1.13 -2.30 -0.92 0.00 0.00 175.35 173.76 1k1x n PRO 567 N 1.71 1.47 -3.48 -1.68 -0.02 -1.25 -4.82 135.00 126.93 1k1x n PRO 567 Ca -0.21 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1k1x n PRO 567 Cb 0.56 -1.98 -0.05 0.00 -0.02 0.00 0.00 33.50 32.01 1k1x n PRO 567 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1k1x s TYR 568 N -0.69 -0.56 -0.54 6.00 5.04 0.24 -5.02 117.35 121.82 1k1x s TYR 568 Ca 0.63 1.02 -0.28 0.00 -2.44 0.00 0.00 57.07 56.00 1k1x s TYR 568 Cb -0.72 0.34 0.02 0.00 0.35 0.00 0.00 41.96 41.95 1k1x s TYR 568 CO 0.57 -0.28 1.28 0.21 -1.34 0.00 0.00 175.55 175.99 1k1x s LYS 569 N 1.97 3.49 0.29 4.97 2.20 -1.26 -3.72 119.74 127.69 1k1x s LYS 569 Ca -0.05 0.45 0.01 0.00 -0.36 0.00 0.00 55.97 56.02 1k1x s LYS 569 Cb -0.05 -4.03 -0.00 0.00 -1.51 0.00 0.00 37.83 32.24 1k1x s LYS 569 CO -0.16 -1.70 0.36 0.00 -0.36 0.00 0.00 175.35 173.49 1k1x n ALA 570 N 8.75 -0.05 -4.02 3.13 0.00 0.04 -4.64 120.51 123.71 1k1x n ALA 570 Ca 0.11 -1.43 -0.31 0.00 0.00 0.00 0.00 53.44 51.81 1k1x n ALA 570 Cb 0.49 1.16 -0.16 0.00 0.00 0.00 0.00 19.45 20.93 1k1x n ALA 570 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k1x s LEU 571 N 0.00 2.08 0.13 0.00 1.43 -0.50 0.20 118.68 122.03 1k1x s LEU 571 Ca 0.27 -0.73 -0.27 0.00 -1.03 0.00 0.00 54.13 52.36 1k1x s LEU 571 Cb -0.00 -1.24 -0.07 0.00 0.03 0.00 0.00 46.19 44.91 1k1x s LEU 571 CO 0.19 -0.10 0.85 0.12 0.23 0.00 0.00 176.35 177.64 1k1x s PHE 572 N 1.41 3.85 -0.05 0.29 5.36 0.13 -1.70 117.98 127.26 1k1x s PHE 572 Ca 0.01 1.68 0.02 0.00 -0.96 0.00 0.00 56.93 57.69 1k1x s PHE 572 Cb -0.15 -2.90 0.01 0.00 -0.34 0.00 0.00 43.02 39.64 1k1x s PHE 572 CO -0.09 0.36 -0.12 0.20 -1.46 0.00 0.00 175.22 174.11 1k1x s GLY 573 N -0.54 0.72 -0.30 13.12 0.00 -0.91 -0.57 107.32 118.84 1k1x s GLY 573 Ca 0.40 -0.40 -0.08 0.00 0.00 0.00 0.00 44.72 44.65 1k1x s GLY 573 CO 0.27 0.04 0.10 0.14 0.00 0.00 0.00 173.10 173.65 1k1x s VAL 574 N 0.49 4.19 -0.12 1.40 1.01 -0.69 0.77 120.40 127.45 1k1x s VAL 574 Ca -0.10 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 1k1x s VAL 574 Cb -0.14 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1k1x s VAL 574 CO 0.02 0.08 0.15 -0.70 0.00 0.00 0.00 175.10 174.66 1k1x s GLU 575 N 1.54 3.55 -0.20 2.72 2.12 0.02 -1.15 118.70 127.30 1k1x s GLU 575 Ca 0.03 -0.11 -0.02 0.00 0.36 0.00 0.00 54.97 55.23 1k1x s GLU 575 Cb -0.17 -3.22 0.06 0.00 0.26 0.00 0.00 34.13 31.06 1k1x s GLU 575 CO 0.04 0.72 0.00 0.42 -0.54 0.00 0.00 175.26 175.90 1k1x s ILE 576 N -0.86 0.85 0.07 -3.70 1.01 0.30 -0.38 121.20 118.49 1k1x s ILE 576 Ca 0.15 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 59.92 1k1x s ILE 576 Cb -0.12 -1.24 -0.06 0.00 0.01 0.00 0.00 42.46 41.04 1k1x s ILE 576 CO 0.04 -0.13 0.51 0.20 0.00 0.00 0.00 174.94 175.57 1k1x s ASN 577 N 1.72 6.92 0.00 3.58 0.01 -0.56 -1.10 114.94 125.51 1k1x s ASN 577 Ca -0.02 1.12 0.01 0.00 -0.71 0.00 0.00 52.86 53.26 1k1x s ASN 577 Cb -0.17 -2.30 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 1k1x s ASN 577 CO -0.07 0.24 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.95 1k1x s LEU 578 N -1.36 2.05 -0.38 0.60 1.43 -0.46 -4.62 118.68 115.94 1k1x s LEU 578 Ca 0.30 -0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 53.20 1k1x s LEU 578 Cb -0.17 -0.18 -0.16 0.00 0.03 0.00 0.00 46.19 45.70 1k1x s LEU 578 CO 0.18 0.00 2.75 0.00 0.23 0.00 0.00 176.35 179.51 1k1x n ALA 579 N 2.74 5.35 -2.37 4.21 0.00 0.30 -0.48 120.51 130.27 1k1x n ALA 579 Ca -0.14 -1.78 -0.43 0.00 0.00 0.00 0.00 53.44 51.09 1k1x n ALA 579 Cb 0.58 -2.57 -0.02 0.00 0.00 0.00 0.00 19.45 17.44 1k1x n ALA 579 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1k1x s VAL 580 N 1.91 4.15 -0.02 0.00 1.01 -1.26 -4.17 120.40 122.01 1k1x s VAL 580 Ca 0.51 1.36 0.04 0.00 0.00 0.00 0.00 61.98 63.89 1k1x s VAL 580 Cb 0.21 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1k1x s VAL 580 CO -0.01 -0.24 0.05 1.41 0.00 0.00 0.00 175.10 176.31 1k1x n HIS 581 N 7.08 0.00 -1.27 5.22 8.25 -1.26 -3.76 115.22 129.49 1k1x n HIS 581 Ca 0.15 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.52 1k1x n HIS 581 Cb 0.45 -0.14 0.22 0.00 1.12 0.00 0.00 29.99 31.64 1k1x n HIS 581 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1k1x n SER 582 N -1.88 3.42 -3.68 0.41 3.41 -1.26 -4.78 113.62 109.27 1k1x n SER 582 Ca -0.03 -3.55 -0.29 0.00 -0.26 0.00 0.00 58.87 54.74 1k1x n SER 582 Cb 0.35 -0.71 -0.12 0.00 -0.26 0.00 0.00 64.21 63.47 1k1x n SER 582 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1k1x s VAL 583 N -3.18 1.43 -0.95 -3.33 1.01 -1.26 -4.84 120.40 109.28 1k1x s VAL 583 Ca 0.50 -2.85 -0.25 0.00 0.00 0.00 0.00 61.98 59.38 1k1x s VAL 583 Cb 0.43 -1.98 -0.20 0.00 0.00 0.00 0.00 36.38 34.62 1k1x s VAL 583 CO 0.07 -0.98 2.12 0.23 0.00 0.00 0.00 175.10 176.54 1k1x n MET 584 N 3.15 0.19 -2.40 2.72 2.81 -1.26 -4.85 117.12 117.49 1k1x n MET 584 Ca 0.15 -1.37 -0.30 0.00 -1.81 0.00 0.00 57.70 54.36 1k1x n MET 584 Cb 0.37 -3.66 -0.01 0.00 -0.71 0.00 0.00 33.22 29.21 1k1x n MET 584 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1k1x s GLU 585 N 8.42 3.71 0.11 0.03 2.56 -1.26 -5.10 118.70 127.17 1k1x s GLU 585 Ca 0.81 0.61 0.02 0.00 0.00 0.00 0.00 54.97 56.40 1k1x s GLU 585 Cb -0.08 -2.23 -0.04 0.00 2.00 0.00 0.00 34.13 33.77 1k1x s GLU 585 CO 0.16 -0.29 -0.06 0.15 -0.56 0.00 0.00 175.26 174.66 1k1x s LYS 586 N -4.50 0.87 0.14 4.30 3.01 -1.26 -4.49 119.74 117.81 1k1x s LYS 586 Ca 0.53 -1.36 -0.34 0.00 -1.01 0.00 0.00 55.97 53.79 1k1x s LYS 586 Cb -0.10 -0.20 -0.16 0.00 -1.01 0.00 0.00 37.83 36.35 1k1x s LYS 586 CO 0.41 -0.04 1.16 -2.30 0.51 0.00 0.00 175.35 175.10 1k1x n PRO 587 N -0.07 1.02 -3.64 -1.68 -0.02 -1.26 -4.61 135.00 124.74 1k1x n PRO 587 Ca -0.11 0.36 -0.10 0.00 -2.02 0.00 0.00 63.50 61.63 1k1x n PRO 587 Cb 0.61 -1.87 -0.07 0.00 -0.02 0.00 0.00 33.50 32.16 1k1x n PRO 587 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1k1x s GLU 588 N -0.21 0.63 0.06 -0.52 2.12 -0.32 -5.01 118.70 115.46 1k1x s GLU 588 Ca 0.76 0.83 0.06 0.00 0.36 0.00 0.00 54.97 56.99 1k1x s GLU 588 Cb -0.91 0.27 -0.03 0.00 0.26 0.00 0.00 34.13 33.72 1k1x s GLU 588 CO 0.52 -0.09 -0.17 -1.83 -0.54 0.00 0.00 175.26 173.15 1k1x s GLU 589 N 0.61 1.02 0.04 4.30 -1.05 -1.26 -0.83 118.70 121.53 1k1x s GLU 589 Ca -0.01 -0.94 -0.27 0.00 -0.15 0.00 0.00 54.97 53.59 1k1x s GLU 589 Cb -0.05 -1.11 0.09 0.00 -0.44 0.00 0.00 34.13 32.63 1k1x s GLU 589 CO -0.07 0.26 0.85 -0.59 0.95 0.00 0.00 175.26 176.67 1k1x s PHE 590 N -1.04 -0.35 -0.04 4.83 -0.12 -0.76 -4.98 117.98 115.52 1k1x s PHE 590 Ca 0.03 0.18 -0.21 0.00 -0.05 0.00 0.00 56.93 56.87 1k1x s PHE 590 Cb -0.09 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.81 1k1x s PHE 590 CO 0.02 -0.63 0.62 -2.00 -0.05 0.00 0.00 175.22 173.18 1k1x s GLU 591 N -3.23 4.37 -0.12 1.99 2.56 -1.26 0.05 118.70 123.06 1k1x s GLU 591 Ca 0.05 0.75 -0.24 0.00 0.00 0.00 0.00 54.97 55.53 1k1x s GLU 591 Cb -0.01 -3.39 0.06 0.00 2.00 0.00 0.00 34.13 32.79 1k1x s GLU 591 CO -0.08 0.24 0.59 0.00 -0.56 0.00 0.00 175.26 175.45 1k1x s ALA 592 N 0.23 -1.49 -0.13 6.30 0.00 0.27 -4.93 121.76 122.00 1k1x s ALA 592 Ca 0.33 1.31 0.16 0.00 0.00 0.00 0.00 51.96 53.75 1k1x s ALA 592 Cb -0.18 -0.39 -0.22 0.00 0.00 0.00 0.00 23.12 22.33 1k1x s ALA 592 CO 0.17 -0.32 0.14 1.17 0.00 0.00 0.00 175.76 176.92 1k1x n LYS 593 N 1.72 1.09 -3.62 0.00 4.81 -1.26 -0.11 118.16 120.79 1k1x n LYS 593 Ca -0.17 -0.05 -0.15 0.00 -0.87 0.00 0.00 58.31 57.07 1k1x n LYS 593 Cb 0.56 -1.43 -0.07 0.00 0.02 0.00 0.00 35.03 34.11 1k1x n LYS 593 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1k1x s GLU 594 N -2.61 0.85 0.10 1.64 2.02 -1.26 -0.13 118.70 119.31 1k1x s GLU 594 Ca -0.08 0.69 -0.11 0.00 0.02 0.00 0.00 54.97 55.49 1k1x s GLU 594 Cb 0.07 0.41 0.01 0.00 0.10 0.00 0.00 34.13 34.71 1k1x s GLU 594 CO 0.70 -0.16 0.26 -0.59 0.02 0.00 0.00 175.26 175.49 1k1x s PHE 595 N -0.15 0.03 0.16 1.61 -0.12 -0.64 -5.01 117.98 113.85 1k1x s PHE 595 Ca -0.04 -0.41 0.11 0.00 -0.05 0.00 0.00 56.93 56.55 1k1x s PHE 595 Cb -0.03 0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.36 1k1x s PHE 595 CO 0.04 -0.59 -0.26 -2.00 -0.05 0.00 0.00 175.22 172.36 1k1x s GLU 596 N -3.77 1.45 -0.05 1.99 2.12 -1.26 -1.01 118.70 118.17 1k1x s GLU 596 Ca 0.04 -1.43 0.05 0.00 0.36 0.00 0.00 54.97 53.99 1k1x s GLU 596 Cb 0.04 -1.87 -0.01 0.00 0.26 0.00 0.00 34.13 32.55 1k1x s GLU 596 CO -0.11 0.43 -0.20 0.08 -0.54 0.00 0.00 175.26 174.92 1k1x s VAL 597 N -1.34 1.63 -0.31 3.70 1.01 0.10 -5.00 120.40 120.19 1k1x s VAL 597 Ca 0.17 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1k1x s VAL 597 Cb -0.09 -1.39 0.09 0.00 0.00 0.00 0.00 36.38 35.00 1k1x s VAL 597 CO 0.08 0.46 0.06 0.21 0.00 0.00 0.00 175.10 175.91 1k1x s ASN 598 N -0.04 4.20 -0.69 3.32 2.47 -1.26 -1.89 114.94 121.04 1k1x s ASN 598 Ca -0.03 -1.72 0.05 0.00 0.42 0.00 0.00 52.86 51.58 1k1x s ASN 598 Cb -0.12 -1.12 0.18 0.00 -1.45 0.00 0.00 41.25 38.73 1k1x s ASN 598 CO 0.03 -0.38 0.52 -0.67 -3.72 0.00 0.00 177.10 172.87 1k1x n ASP 599 N 4.65 3.00 -0.33 -4.21 2.03 0.12 -4.88 116.55 116.93 1k1x n ASP 599 Ca -0.02 -3.21 0.18 0.00 0.52 0.00 0.00 54.79 52.26 1k1x n ASP 599 Cb 0.42 -0.75 0.38 0.00 -0.72 0.00 0.00 41.12 40.46 1k1x n ASP 599 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1k1x h PRO 600 N 5.27 0.42 -0.02 -0.67 0.13 -1.88 0.42 132.00 135.67 1k1x h PRO 600 Ca 0.16 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1k1x h PRO 600 Cb 0.75 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1k1x h PRO 600 CO 0.72 0.28 -0.18 0.66 -0.23 0.00 0.00 178.00 179.25 1k1x n TYR 601 N -5.00 0.00 0.00 1.56 4.02 -1.26 -4.65 117.16 111.83 1k1x n TYR 601 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.16 1k1x n TYR 601 Cb 0.78 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.08 1k1x n TYR 601 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1k1x n GLY 602 N 1.33 1.09 0.40 2.72 0.00 -0.42 -4.87 105.19 105.44 1k1x n GLY 602 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1k1x n GLY 602 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1k1x n ILE 603 N 0.00 0.23 -3.27 -0.61 -5.35 -1.18 -5.01 119.36 104.17 1k1x n ILE 603 Ca 0.00 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1k1x n ILE 603 Cb 0.00 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 1k1x n ILE 603 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1k1x n GLY 604 N 0.94 1.96 3.57 3.28 0.00 0.14 -4.72 105.19 110.35 1k1x n GLY 604 Ca 0.11 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 1k1x n GLY 604 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1x s LYS 605 N 0.00 3.55 0.07 1.61 1.02 -1.26 0.16 119.74 124.88 1k1x s LYS 605 Ca 0.00 -0.46 -0.05 0.00 0.02 0.00 0.00 55.97 55.48 1k1x s LYS 605 Cb 0.00 -2.93 -0.02 0.00 -0.52 0.00 0.00 37.83 34.36 1k1x s LYS 605 CO 0.00 0.36 0.08 0.14 -0.92 0.00 0.00 175.35 175.01 1k1x s VAL 606 N 0.05 0.18 -0.00 3.17 -7.23 -0.79 -0.98 120.40 114.79 1k1x s VAL 606 Ca 0.01 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 1k1x s VAL 606 Cb -0.13 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.43 1k1x s VAL 606 CO 0.02 -0.81 -0.01 -0.60 -0.31 0.00 0.00 175.10 173.40 1k1x s ARG 607 N -3.79 0.10 -0.20 4.82 3.52 0.12 -0.72 118.95 122.80 1k1x s ARG 607 Ca 0.05 -0.01 -0.04 0.00 -0.13 0.00 0.00 55.73 55.60 1k1x s ARG 607 Cb 0.06 -0.14 -0.02 0.00 -1.56 0.00 0.00 34.95 33.29 1k1x s ARG 607 CO -0.10 -0.00 -0.03 0.42 -0.81 0.00 0.00 175.30 174.78 1k1x s ILE 608 N 0.16 3.66 -0.12 4.11 1.01 -0.18 -0.39 121.20 129.45 1k1x s ILE 608 Ca -0.01 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1k1x s ILE 608 Cb -0.03 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 1k1x s ILE 608 CO -0.00 0.44 -0.19 -1.61 0.00 0.00 0.00 174.94 173.58 1k1x s GLU 609 N 1.10 3.22 0.26 2.79 2.02 -0.12 -1.62 118.70 126.33 1k1x s GLU 609 Ca 0.02 -0.78 0.09 0.00 0.02 0.00 0.00 54.97 54.32 1k1x s GLU 609 Cb -0.15 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 1k1x s GLU 609 CO 0.00 0.19 -0.01 -0.51 0.02 0.00 0.00 175.26 174.96 1k1x s LEU 610 N 0.36 3.19 -0.25 1.80 1.43 0.82 -0.61 118.68 125.42 1k1x s LEU 610 Ca -0.15 -0.63 0.14 0.00 -1.03 0.00 0.00 54.13 52.46 1k1x s LEU 610 Cb -0.17 -1.73 0.81 0.00 0.03 0.00 0.00 46.19 45.14 1k1x s LEU 610 CO 0.07 0.01 1.75 -0.90 0.23 0.00 0.00 176.35 177.52 1k1x n ASP 611 N -0.79 5.63 -3.65 2.29 5.75 -1.12 -4.74 116.55 119.92 1k1x n ASP 611 Ca -0.07 -2.97 -0.00 0.00 -0.01 0.00 0.00 54.79 51.73 1k1x n ASP 611 Cb 0.59 -0.69 -0.06 0.00 -1.03 0.00 0.00 41.12 39.92 1k1x n ASP 611 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1k1x s LYS 612 N -2.81 0.21 0.65 0.11 2.20 -1.26 -4.93 119.74 113.90 1k1x s LYS 612 Ca 0.55 0.35 -0.17 0.00 -0.36 0.00 0.00 55.97 56.33 1k1x s LYS 612 Cb 0.42 0.05 -0.06 0.00 -1.51 0.00 0.00 37.83 36.73 1k1x s LYS 612 CO 0.16 -0.04 0.60 0.00 -0.36 0.00 0.00 175.35 175.70 1k1x n ALA 613 N 3.27 -1.09 -3.09 3.13 0.00 -1.26 -4.73 120.51 116.73 1k1x n ALA 613 Ca -0.17 -0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.05 1k1x n ALA 613 Cb 0.57 -1.89 -0.05 0.00 0.00 0.00 0.00 19.45 18.08 1k1x n ALA 613 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k1x s ALA 614 N -1.78 -0.71 -0.23 0.00 0.00 0.84 -4.92 121.76 114.96 1k1x s ALA 614 Ca 0.69 -0.35 -0.25 0.00 0.00 0.00 0.00 51.96 52.05 1k1x s ALA 614 Cb -0.39 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 1k1x s ALA 614 CO 0.55 -0.73 0.84 0.21 0.00 0.00 0.00 175.76 176.62 1k1x s LYS 615 N -3.88 4.20 -0.25 0.00 2.20 -0.56 -0.57 119.74 120.89 1k1x s LYS 615 Ca 0.10 0.97 -0.06 0.00 -0.36 0.00 0.00 55.97 56.61 1k1x s LYS 615 Cb 0.01 -3.63 -0.02 0.00 -1.51 0.00 0.00 37.83 32.68 1k1x s LYS 615 CO -0.04 -0.50 0.04 0.08 -0.36 0.00 0.00 175.35 174.57 1k1x s VAL 616 N 2.76 3.96 -0.20 4.02 1.01 0.11 0.10 120.40 132.15 1k1x s VAL 616 Ca 0.36 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1k1x s VAL 616 Cb -0.15 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 1k1x s VAL 616 CO 0.08 0.33 0.11 0.26 0.00 0.00 0.00 175.10 175.88 1k1x s TRP 617 N 1.55 3.35 -0.03 5.22 0.51 -0.65 -1.83 118.94 127.07 1k1x s TRP 617 Ca 0.06 0.24 0.03 0.00 -2.12 0.00 0.00 56.10 54.30 1k1x s TRP 617 Cb -0.15 -2.14 0.00 0.00 -0.81 0.00 0.00 33.47 30.37 1k1x s TRP 617 CO 0.01 0.23 -0.10 0.21 -0.51 0.00 0.00 176.95 176.79 1k1x s LYS 618 N 0.42 1.09 -0.24 4.98 2.20 -0.01 -1.62 119.74 126.57 1k1x s LYS 618 Ca 0.06 -0.34 -0.26 0.00 -0.36 0.00 0.00 55.97 55.07 1k1x s LYS 618 Cb -0.12 -1.00 0.08 0.00 -1.51 0.00 0.00 37.83 35.28 1k1x s LYS 618 CO -0.01 0.13 0.75 -0.59 -0.36 0.00 0.00 175.35 175.27 1k1x s PHE 619 N 0.19 -0.73 0.34 4.03 -0.12 -1.02 -1.17 117.98 119.50 1k1x s PHE 619 Ca -0.04 1.70 -0.27 0.00 -0.05 0.00 0.00 56.93 58.28 1k1x s PHE 619 Cb -0.09 0.30 -0.09 0.00 -0.63 0.00 0.00 43.02 42.51 1k1x s PHE 619 CO 0.01 -0.40 1.10 -1.25 -0.05 0.00 0.00 175.22 174.64 1k1x s PRO 620 N 0.11 4.38 -0.57 1.99 0.04 -1.26 -1.09 135.00 138.60 1k1x s PRO 620 Ca -0.01 1.74 -0.23 0.00 0.04 0.00 0.00 61.00 62.53 1k1x s PRO 620 Cb -0.04 -2.90 0.05 0.00 0.04 0.00 0.00 34.50 31.65 1k1x s PRO 620 CO 0.02 -0.00 0.91 0.42 0.04 0.00 0.00 177.00 178.38 1k1x s ILE 621 N -1.36 4.44 -0.21 0.56 1.01 0.15 -4.89 121.20 120.90 1k1x s ILE 621 Ca 0.51 0.06 -0.12 0.00 0.00 0.00 0.00 60.65 61.10 1k1x s ILE 621 Cb -0.29 -4.54 -0.05 0.00 0.01 0.00 0.00 42.46 37.60 1k1x s ILE 621 CO 0.37 -1.14 0.21 -0.54 0.00 0.00 0.00 174.94 173.83 1k1x s LYS 622 N 3.80 4.15 -0.00 2.79 -0.14 -1.26 -0.74 119.74 128.34 1k1x s LYS 622 Ca 0.27 -0.13 0.07 0.00 -1.36 0.00 0.00 55.97 54.82 1k1x s LYS 622 Cb -0.14 -3.49 -0.03 0.00 -1.68 0.00 0.00 37.83 32.50 1k1x s LYS 622 CO 0.16 0.14 -0.22 0.99 -0.76 0.00 0.00 175.35 175.67 1k1x s THR 623 N 0.80 2.45 -0.27 2.17 2.01 -0.19 -4.80 115.64 117.81 1k1x s THR 623 Ca 0.11 -1.08 -0.10 0.00 0.31 0.00 0.00 61.69 60.93 1k1x s THR 623 Cb -0.13 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1k1x s THR 623 CO 0.03 0.50 0.16 -0.22 -0.69 0.00 0.00 174.62 174.40 1k1x s LEU 624 N -0.90 3.88 0.14 4.42 2.96 -1.26 -0.98 118.68 126.94 1k1x s LEU 624 Ca 0.12 -0.05 0.07 0.00 -0.22 0.00 0.00 54.13 54.05 1k1x s LEU 624 Cb -0.10 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1k1x s LEU 624 CO 0.01 -0.03 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.30 1k1x s SER 625 N 1.64 2.26 -0.01 3.68 0.15 0.29 -4.95 113.70 116.75 1k1x s SER 625 Ca 0.07 -0.84 -0.14 0.00 0.70 0.00 0.00 55.95 55.73 1k1x s SER 625 Cb -0.16 -0.10 -0.06 0.00 -1.71 0.00 0.00 66.02 64.00 1k1x s SER 625 CO 0.09 -0.11 0.39 -1.58 1.20 0.00 0.00 173.24 173.23 1k1x s GLN 626 N -2.77 3.92 0.34 5.44 0.74 -1.26 0.53 119.66 126.60 1k1x s GLN 626 Ca 0.12 0.38 0.07 0.00 0.05 0.00 0.00 55.36 55.98 1k1x s GLN 626 Cb -0.05 -3.23 -0.03 0.00 1.10 0.00 0.00 33.01 30.80 1k1x s GLN 626 CO 0.04 0.66 0.29 -1.54 -0.55 0.00 0.00 175.29 174.20 1k1x s SER 627 N -0.97 1.74 0.17 6.67 1.04 -1.11 -3.77 113.70 117.47 1k1x s SER 627 Ca 0.23 -1.77 0.26 0.00 0.48 0.00 0.00 55.95 55.15 1k1x s SER 627 Cb -0.16 0.57 0.89 0.00 0.10 0.00 0.00 66.02 67.42 1k1x s SER 627 CO 0.13 -1.08 1.80 -1.84 0.98 0.00 0.00 173.24 173.22 1k1x n GLU 628 N -0.64 0.21 -3.10 4.02 0.00 -1.26 -4.09 120.64 115.79 1k1x n GLU 628 Ca 0.08 0.19 -0.22 0.00 0.00 0.00 0.00 57.16 57.21 1k1x n GLU 628 Cb 0.62 -1.75 -0.04 0.00 0.00 0.00 0.00 31.44 30.27 1k1x n GLU 628 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1k1x n ALA 629 N -1.73 3.05 0.00 -1.84 0.00 -1.26 -4.77 120.51 113.96 1k1x n ALA 629 Ca 0.06 -3.91 0.00 0.00 0.00 0.00 0.00 53.44 49.58 1k1x n ALA 629 Cb 0.40 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1k1x n ALA 629 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k1x n GLY 630 N 0.11 -2.80 3.78 0.00 0.00 -1.26 -4.98 105.19 100.04 1k1x n GLY 630 Ca 0.27 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 1k1x n GLY 630 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k1x s TRP 631 N -0.52 2.72 -0.31 1.61 0.52 -1.26 -2.75 118.94 118.95 1k1x s TRP 631 Ca 0.00 1.54 0.01 0.00 0.02 0.00 0.00 56.10 57.67 1k1x s TRP 631 Cb 0.00 -3.13 0.10 0.00 -1.15 0.00 0.00 33.47 29.29 1k1x s TRP 631 CO 0.00 -1.54 0.07 -0.51 0.02 0.00 0.00 176.95 174.99 1k1x s ASP 632 N -2.63 4.19 -0.68 2.95 1.01 0.19 -4.89 116.67 116.81 1k1x s ASP 632 Ca 0.66 -1.72 -0.15 0.00 0.71 0.00 0.00 52.55 52.04 1k1x s ASP 632 Cb -0.19 -1.10 0.17 0.00 1.01 0.00 0.00 42.92 42.81 1k1x s ASP 632 CO 0.40 -0.39 0.64 0.12 0.21 0.00 0.00 175.17 176.16 1k1x s PHE 633 N 1.40 3.45 -0.06 4.23 5.36 -1.26 0.10 117.98 131.21 1k1x s PHE 633 Ca 0.09 -1.58 -0.00 0.00 -0.96 0.00 0.00 56.93 54.48 1k1x s PHE 633 Cb -0.18 -3.84 -0.03 0.00 -0.34 0.00 0.00 43.02 38.63 1k1x s PHE 633 CO -0.18 -1.04 -0.03 0.42 -1.46 0.00 0.00 175.22 172.93 1k1x s ILE 634 N 1.08 4.03 -0.47 3.12 1.01 -0.16 -4.89 121.20 124.92 1k1x s ILE 634 Ca 0.11 -0.41 -0.26 0.00 0.00 0.00 0.00 60.65 60.09 1k1x s ILE 634 Cb -0.20 -2.69 0.03 0.00 0.01 0.00 0.00 42.46 39.60 1k1x s ILE 634 CO -0.02 0.56 0.94 -1.58 0.00 0.00 0.00 174.94 174.84 1k1x s GLN 635 N -0.97 3.53 0.00 2.79 0.74 -1.26 -1.02 119.66 123.46 1k1x s GLN 635 Ca 0.14 0.16 0.28 0.00 0.05 0.00 0.00 55.36 55.99 1k1x s GLN 635 Cb -0.11 -3.93 1.01 0.00 1.10 0.00 0.00 33.01 31.08 1k1x s GLN 635 CO 0.03 -1.25 1.73 1.04 -0.55 0.00 0.00 175.29 176.29 1k1x n GLN 636 N 7.23 0.63 -3.99 1.67 1.13 0.08 -4.81 117.38 119.32 1k1x n GLN 636 Ca 0.06 -0.28 0.00 0.00 -1.94 0.00 0.00 57.00 54.85 1k1x n GLN 636 Cb 0.48 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.34 1k1x n GLN 636 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1k1x n GLY 637 N 1.33 -2.02 2.99 1.08 0.00 -1.25 -4.41 105.19 102.92 1k1x n GLY 637 Ca 0.12 -1.27 -0.20 0.00 0.00 0.00 0.00 46.02 44.68 1k1x n GLY 637 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k1x s VAL 638 N -2.60 0.74 -0.10 1.61 1.01 0.37 0.31 120.40 121.74 1k1x s VAL 638 Ca 0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 1k1x s VAL 638 Cb 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1k1x s VAL 638 CO 0.00 0.23 0.36 -0.55 0.00 0.00 0.00 175.10 175.15 1k1x s SER 639 N 0.22 6.60 -0.14 3.32 0.15 -0.25 -1.36 113.70 122.24 1k1x s SER 639 Ca -0.03 0.71 -0.00 0.00 0.70 0.00 0.00 55.95 57.32 1k1x s SER 639 Cb -0.08 -2.22 0.02 0.00 -1.71 0.00 0.00 66.02 62.03 1k1x s SER 639 CO 0.00 0.15 -0.11 -0.31 1.20 0.00 0.00 173.24 174.18 1k1x s TYR 640 N 0.00 1.86 -0.11 3.44 1.51 -0.26 -2.45 117.35 121.35 1k1x s TYR 640 Ca 0.21 -1.01 -0.01 0.00 -1.01 0.00 0.00 57.07 55.25 1k1x s TYR 640 Cb -0.14 -1.43 0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1k1x s TYR 640 CO 0.08 -0.60 -0.06 -0.08 -1.11 0.00 0.00 175.55 173.78 1k1x s THR 641 N 1.59 0.92 -0.25 -0.71 -1.32 -0.64 0.11 115.64 115.34 1k1x s THR 641 Ca 0.05 -0.23 -0.23 0.00 -1.21 0.00 0.00 61.69 60.07 1k1x s THR 641 Cb -0.13 -0.97 -0.01 0.00 -1.51 0.00 0.00 72.50 69.88 1k1x s THR 641 CO -0.09 0.34 0.74 -0.04 -2.21 0.00 0.00 174.62 173.36 1k1x s MET 642 N 1.75 4.14 -0.17 7.08 -1.94 -0.30 -1.63 119.30 128.23 1k1x s MET 642 Ca 0.05 0.75 -0.09 0.00 -1.71 0.00 0.00 55.69 54.69 1k1x s MET 642 Cb -0.13 -3.65 -0.05 0.00 2.01 0.00 0.00 34.83 33.02 1k1x s MET 642 CO -0.08 -0.48 0.13 -0.51 -0.01 0.00 0.00 175.02 174.07 1k1x s LEU 643 N 2.70 4.26 -0.05 -0.03 2.01 0.28 -1.70 118.68 126.15 1k1x s LEU 643 Ca 0.31 0.32 0.02 0.00 0.01 0.00 0.00 54.13 54.78 1k1x s LEU 643 Cb -0.15 -2.08 0.02 0.00 0.01 0.00 0.00 46.19 43.99 1k1x s LEU 643 CO 0.08 0.27 -0.09 -0.36 1.01 0.00 0.00 176.35 177.26 1k1x s PHE 644 N -0.19 1.14 0.25 0.29 0.40 0.27 -1.50 117.98 118.64 1k1x s PHE 644 Ca 0.11 -0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 55.75 1k1x s PHE 644 Cb -0.11 -0.88 -0.09 0.00 0.51 0.00 0.00 43.02 42.44 1k1x s PHE 644 CO 0.00 -0.23 1.30 -1.25 0.70 0.00 0.00 175.22 175.75 1k1x s PRO 645 N 0.74 4.39 0.00 0.24 0.04 -1.26 0.17 135.00 139.32 1k1x s PRO 645 Ca -0.13 2.10 0.01 0.00 0.04 0.00 0.00 61.00 63.02 1k1x s PRO 645 Cb -0.15 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 1k1x s PRO 645 CO 0.02 -0.21 -0.03 -1.50 0.04 0.00 0.00 177.00 175.32 1k1x s ILE 646 N -0.37 0.25 0.00 0.56 2.07 0.13 -4.84 121.20 119.00 1k1x s ILE 646 Ca 0.54 -0.28 0.00 0.00 -1.41 0.00 0.00 60.65 59.50 1k1x s ILE 646 Cb -0.38 -0.25 0.00 0.00 0.13 0.00 0.00 42.46 41.97 1k1x s ILE 646 CO 0.43 -0.02 0.00 1.21 -1.91 0.00 0.00 174.94 174.65 1k1x n GLU 647 N 2.75 2.48 0.00 3.50 2.13 -1.24 -0.78 120.64 129.48 1k1x n GLU 647 Ca -0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.68 1k1x n GLU 647 Cb 0.58 -0.75 0.00 0.00 0.27 0.00 0.00 31.44 31.55 1k1x n GLU 647 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1k1x n LYS 648 N -1.00 0.00 -4.26 5.31 3.00 -1.26 -0.59 118.16 119.36 1k1x n LYS 648 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.13 1k1x n LYS 648 Cb 0.13 -0.01 -0.13 0.00 0.00 0.00 0.00 35.03 35.02 1k1x n LYS 648 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1k1x s GLU 649 N -1.58 0.74 -0.16 1.64 2.56 -1.26 -1.47 118.70 119.17 1k1x s GLU 649 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 54.97 54.23 1k1x s GLU 649 Cb 0.00 -0.68 0.05 0.00 2.00 0.00 0.00 34.13 35.50 1k1x s GLU 649 CO 0.00 0.17 0.41 -1.17 -0.56 0.00 0.00 175.26 174.11 1k1x s LEU 650 N -0.97 0.18 -0.10 2.70 2.96 -0.58 -4.89 118.68 117.97 1k1x s LEU 650 Ca -0.01 0.85 -0.05 0.00 -0.22 0.00 0.00 54.13 54.71 1k1x s LEU 650 Cb -0.07 1.37 0.05 0.00 0.50 0.00 0.00 46.19 48.04 1k1x s LEU 650 CO 0.01 -0.17 0.23 -1.61 -1.32 0.00 0.00 176.35 173.49 1k1x s GLU 651 N 0.80 0.18 0.32 1.98 2.02 -1.26 -1.16 118.70 121.57 1k1x s GLU 651 Ca -0.05 0.54 -0.18 0.00 0.02 0.00 0.00 54.97 55.31 1k1x s GLU 651 Cb -0.06 -0.12 0.03 0.00 0.10 0.00 0.00 34.13 34.08 1k1x s GLU 651 CO -0.06 -0.19 0.71 -0.59 0.02 0.00 0.00 175.26 175.16 1k1x s PHE 652 N 1.45 0.02 -0.03 1.61 -0.12 -1.11 -5.03 117.98 114.78 1k1x s PHE 652 Ca -0.07 -0.55 0.02 0.00 -0.05 0.00 0.00 56.93 56.28 1k1x s PHE 652 Cb -0.11 0.68 0.01 0.00 -0.63 0.00 0.00 43.02 42.97 1k1x s PHE 652 CO -0.08 -1.34 -0.07 0.99 -0.05 0.00 0.00 175.22 174.67 1k1x s THR 653 N -3.30 0.69 -0.13 -4.49 2.01 -1.26 -0.37 115.64 108.78 1k1x s THR 653 Ca 0.14 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.88 1k1x s THR 653 Cb -0.05 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.83 1k1x s THR 653 CO 0.09 0.23 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.36 1k1x s VAL 654 N 0.38 2.24 -0.10 3.82 1.01 -0.10 -2.81 120.40 124.84 1k1x s VAL 654 Ca -0.06 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.03 1k1x s VAL 654 Cb -0.10 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.39 1k1x s VAL 654 CO 0.01 0.54 -0.22 -0.60 0.00 0.00 0.00 175.10 174.83 1k1x s ARG 655 N 0.65 2.81 -0.21 2.72 3.52 0.22 -0.20 118.95 128.45 1k1x s ARG 655 Ca -0.10 -0.79 -0.09 0.00 -0.13 0.00 0.00 55.73 54.61 1k1x s ARG 655 Cb -0.16 -2.16 -0.05 0.00 -1.56 0.00 0.00 34.95 31.02 1k1x s ARG 655 CO 0.02 0.13 0.12 0.12 -0.81 0.00 0.00 175.30 174.89 1k1x s PHE 656 N 0.45 3.32 -0.09 5.12 5.36 0.23 -0.95 117.98 131.42 1k1x s PHE 656 Ca -0.17 0.20 0.02 0.00 -0.96 0.00 0.00 56.93 56.02 1k1x s PHE 656 Cb -0.17 -2.19 0.01 0.00 -0.34 0.00 0.00 43.02 40.33 1k1x s PHE 656 CO 0.07 0.14 -0.14 1.03 -1.46 0.00 0.00 175.22 174.86 1k1x s ARG 657 N 0.69 2.04 -0.16 10.12 0.52 0.48 -2.53 118.95 130.11 1k1x s ARG 657 Ca 0.07 -0.51 -0.24 0.00 -0.52 0.00 0.00 55.73 54.52 1k1x s ARG 657 Cb -0.12 -1.70 -0.02 0.00 0.52 0.00 0.00 34.95 33.62 1k1x s ARG 657 CO 0.01 -0.01 0.79 -2.00 0.02 0.00 0.00 175.30 174.11 1k1x s GLU 658 N 0.82 4.31 0.00 3.54 2.12 0.85 -0.70 118.70 129.63 1k1x s GLU 658 Ca -0.11 0.95 0.10 0.00 0.36 0.00 0.00 54.97 56.28 1k1x s GLU 658 Cb -0.16 -3.56 0.08 0.00 0.26 0.00 0.00 34.13 30.76 1k1x s GLU 658 CO 0.02 -0.26 0.83 1.28 -0.54 0.00 0.00 175.26 176.59