#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k4m n LYS 2 N 0.00 0.08 -2.07 0.03 5.02 0.33 -4.99 118.16 116.56 1k4m n LYS 2 Ca 0.00 -0.34 -0.42 0.00 -2.02 0.00 0.00 58.31 55.54 1k4m n LYS 2 Cb 0.00 -0.16 -0.03 0.00 -0.02 0.00 0.00 35.03 34.82 1k4m n LYS 2 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1k4m s SER 3 N -1.67 6.72 0.10 4.39 0.15 -1.26 -4.36 113.70 117.78 1k4m s SER 3 Ca 0.10 2.56 -0.31 0.00 0.70 0.00 0.00 55.95 59.00 1k4m s SER 3 Cb -0.00 -2.61 -0.09 0.00 -1.71 0.00 0.00 66.02 61.61 1k4m s SER 3 CO 0.07 -0.67 1.60 -0.22 1.20 0.00 0.00 173.24 175.22 1k4m s LEU 4 N 0.07 4.37 0.14 3.45 2.96 -1.26 -4.32 118.68 124.08 1k4m s LEU 4 Ca 0.61 2.51 0.07 0.00 -0.22 0.00 0.00 54.13 57.10 1k4m s LEU 4 Cb -0.40 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.67 1k4m s LEU 4 CO 0.39 -0.84 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.43 1k4m s GLN 5 N 1.99 2.28 0.07 1.98 -0.21 -0.63 -4.61 119.66 120.52 1k4m s GLN 5 Ca 0.72 -1.07 0.04 0.00 0.02 0.00 0.00 55.36 55.07 1k4m s GLN 5 Cb -0.41 -2.33 -0.03 0.00 1.00 0.00 0.00 33.01 31.24 1k4m s GLN 5 CO 0.32 0.48 -0.12 0.00 -2.12 0.00 0.00 175.29 173.85 1k4m s ALA 6 N -1.50 0.98 -0.01 6.09 0.00 -1.22 -1.15 121.76 124.95 1k4m s ALA 6 Ca 0.25 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1k4m s ALA 6 Cb -0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 1k4m s ALA 6 CO 0.16 0.07 -0.16 -0.51 0.00 0.00 0.00 175.76 175.33 1k4m s LEU 7 N -1.81 2.04 -0.22 0.00 1.43 0.40 -0.95 118.68 119.57 1k4m s LEU 7 Ca -0.03 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1k4m s LEU 7 Cb -0.09 -0.80 0.06 0.00 0.03 0.00 0.00 46.19 45.39 1k4m s LEU 7 CO 0.01 0.18 -0.03 0.12 0.23 0.00 0.00 176.35 176.86 1k4m s PHE 8 N -0.40 2.01 0.17 0.29 5.99 0.15 -0.89 117.98 125.30 1k4m s PHE 8 Ca 0.06 -1.48 0.05 0.00 0.00 0.00 0.00 56.93 55.56 1k4m s PHE 8 Cb -0.06 -1.43 -0.04 0.00 0.00 0.00 0.00 43.02 41.50 1k4m s PHE 8 CO -0.00 -0.72 0.20 0.20 -0.00 0.00 0.00 175.22 174.89 1k4m s GLY 9 N 1.53 1.65 0.00 13.12 0.00 -1.26 0.19 107.32 122.55 1k4m s GLY 9 Ca -0.04 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1k4m s GLY 9 CO -0.07 -1.20 0.00 0.61 0.00 0.00 0.00 173.10 172.45 1k4m n GLY 10 N -0.55 -0.42 0.13 0.20 0.00 -0.84 -4.92 105.19 98.80 1k4m n GLY 10 Ca -0.08 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.66 1k4m n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k4m n THR 11 N -0.40 1.61 -3.14 2.61 -1.04 -1.26 -1.22 114.28 111.44 1k4m n THR 11 Ca 0.00 -0.57 -0.13 0.00 -2.04 0.00 0.00 64.05 61.31 1k4m n THR 11 Cb 0.00 -1.60 0.01 0.00 -1.82 0.00 0.00 70.33 66.92 1k4m n THR 11 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1k4m n PHE 12 N -3.46 -3.02 -3.21 -1.42 3.01 -1.26 -4.74 117.46 103.35 1k4m n PHE 12 Ca -0.40 1.21 -0.26 0.00 1.01 0.00 0.00 57.45 59.01 1k4m n PHE 12 Cb 0.99 -3.57 -0.06 0.00 -0.01 0.00 0.00 39.48 36.84 1k4m n PHE 12 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1k4m n ASP 13 N -1.05 3.28 -4.99 4.37 2.03 -1.26 -3.37 116.55 115.56 1k4m n ASP 13 Ca -0.01 -3.39 -0.18 0.00 0.52 0.00 0.00 54.79 51.73 1k4m n ASP 13 Cb 0.54 -0.63 0.01 0.00 -0.72 0.00 0.00 41.12 40.32 1k4m n ASP 13 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1k4m s PRO 14 N -2.64 2.69 0.36 -0.67 0.04 -1.26 -4.74 135.00 128.77 1k4m s PRO 14 Ca 0.42 -1.37 -0.28 0.00 0.04 0.00 0.00 61.00 59.81 1k4m s PRO 14 Cb 0.21 -2.66 -0.11 0.00 0.04 0.00 0.00 34.50 31.99 1k4m s PRO 14 CO -0.07 -0.35 1.43 0.54 0.04 0.00 0.00 177.00 178.58 1k4m s VAL 15 N -2.43 2.29 0.29 -0.36 0.11 -1.22 -4.73 120.40 114.35 1k4m s VAL 15 Ca 0.54 0.29 0.03 0.00 -2.93 0.00 0.00 61.98 59.91 1k4m s VAL 15 Cb -0.08 -3.18 -0.01 0.00 -1.53 0.00 0.00 36.38 31.58 1k4m s VAL 15 CO 0.33 0.07 0.31 0.00 -3.33 0.00 0.00 175.10 172.48 1k4m n HIS 16 N 0.61 -0.93 0.26 1.54 1.44 -1.26 -4.77 115.22 112.11 1k4m n HIS 16 Ca 0.01 -2.26 0.12 0.00 -2.01 0.00 0.00 57.72 53.58 1k4m n HIS 16 Cb 0.40 0.34 0.71 0.00 0.12 0.00 0.00 29.99 31.56 1k4m n HIS 16 CO 0.00 0.00 0.00 1.88 -2.81 0.00 0.00 176.34 175.41 1k4m h TYR 17 N 1.90 0.00 0.00 -1.40 0.99 -1.66 -1.74 116.97 115.07 1k4m h TYR 17 Ca -0.21 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.48 1k4m h TYR 17 Cb 1.03 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.75 1k4m h TYR 17 CO 0.00 0.12 -0.16 0.78 -0.00 0.00 0.00 178.16 178.90 1k4m h GLY 18 N 0.84 0.00 0.23 3.88 0.00 -1.88 -0.61 103.07 105.53 1k4m h GLY 18 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1k4m h GLY 18 CO 0.02 0.00 -0.94 0.45 0.00 0.00 0.00 176.54 176.06 1k4m h HIS 19 N 0.00 0.19 0.08 5.60 3.86 -1.71 -3.41 115.15 119.76 1k4m h HIS 19 Ca -0.00 -0.14 -0.15 0.00 -1.16 0.00 0.00 60.37 58.92 1k4m h HIS 19 Cb 0.49 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 28.96 1k4m h HIS 19 CO 0.00 1.37 -0.72 -0.07 0.86 0.00 0.00 177.93 179.36 1k4m h LEU 20 N -0.72 0.27 -0.99 2.43 3.38 -1.33 -3.36 115.31 114.99 1k4m h LEU 20 Ca -0.23 -0.91 0.01 0.00 0.09 0.00 0.00 57.88 56.85 1k4m h LEU 20 Cb 1.40 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 1k4m h LEU 20 CO -0.04 1.33 0.66 0.11 0.09 0.00 0.00 178.44 180.59 1k4m h LYS 21 N -0.60 1.30 -0.79 1.13 1.57 -1.37 -0.26 116.57 117.55 1k4m h LYS 21 Ca -0.15 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1k4m h LYS 21 Cb 1.44 -0.29 -0.04 0.00 0.08 0.00 0.00 32.23 33.42 1k4m h LYS 21 CO 0.06 0.86 0.48 -1.35 -0.57 0.00 0.00 179.45 178.93 1k4m h PRO 22 N 1.34 1.07 -0.39 3.15 0.11 -1.76 -2.40 132.00 133.12 1k4m h PRO 22 Ca 0.36 -0.09 -0.12 0.00 0.11 0.00 0.00 66.00 66.26 1k4m h PRO 22 Cb -0.15 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.72 1k4m h PRO 22 CO -0.08 0.75 -0.24 0.28 -0.21 0.00 0.00 178.00 178.50 1k4m h VAL 23 N 1.08 1.27 -0.63 3.15 2.07 -1.49 -1.25 116.25 120.44 1k4m h VAL 23 Ca 0.28 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 1k4m h VAL 23 Cb -0.05 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1k4m h VAL 23 CO -0.05 0.45 0.29 -0.33 0.02 0.00 0.00 177.57 177.95 1k4m h GLU 24 N 0.68 0.91 -0.03 1.57 5.08 -0.80 -1.92 114.58 120.07 1k4m h GLU 24 Ca 0.09 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 1k4m h GLU 24 Cb 0.76 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1k4m h GLU 24 CO 0.06 0.74 -0.43 1.15 -1.00 0.00 0.00 179.01 179.53 1k4m h THR 25 N 0.87 1.31 -0.97 1.13 2.02 -1.28 -2.77 112.91 113.21 1k4m h THR 25 Ca 0.21 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.89 1k4m h THR 25 Cb 0.14 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 68.27 1k4m h THR 25 CO -0.03 0.44 0.61 0.25 0.37 0.00 0.00 175.52 177.16 1k4m h LEU 26 N 0.06 1.14 -1.75 2.58 5.85 -0.46 -1.08 115.31 121.66 1k4m h LEU 26 Ca 0.00 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1k4m h LEU 26 Cb 0.78 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1k4m h LEU 26 CO 0.06 0.86 0.18 0.00 -0.34 0.00 0.00 178.44 179.20 1k4m h ALA 27 N 1.34 1.83 0.00 1.25 0.00 -1.13 -1.62 119.26 120.93 1k4m h ALA 27 Ca 0.35 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1k4m h ALA 27 Cb -0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1k4m h ALA 27 CO -0.07 0.15 -0.87 -0.91 0.00 0.00 0.00 179.25 177.56 1k4m h ASN 28 N 0.35 0.00 0.00 0.00 2.35 -1.29 -2.28 115.58 114.71 1k4m h ASN 28 Ca 0.10 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1k4m h ASN 28 Cb -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1k4m h ASN 28 CO -0.02 0.31 -0.15 -0.07 -1.65 0.00 0.00 177.43 175.85 1k4m h LEU 29 N 0.00 0.00 0.00 1.61 3.38 -0.67 -3.40 115.31 116.23 1k4m h LEU 29 Ca -0.05 -0.68 -0.09 0.00 0.09 0.00 0.00 57.88 57.15 1k4m h LEU 29 Cb 1.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 1k4m h LEU 29 CO 0.03 0.93 -1.97 2.30 0.09 0.00 0.00 178.44 179.82 1k4m n ILE 30 N -4.63 0.43 0.00 1.22 -5.35 -0.66 -5.05 119.36 105.31 1k4m n ILE 30 Ca -0.10 -0.59 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 1k4m n ILE 30 Cb 0.38 -0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.11 1k4m n ILE 30 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1k4m n GLY 31 N 1.37 0.08 2.77 3.28 0.00 -0.90 -5.01 105.19 106.78 1k4m n GLY 31 Ca -0.10 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.02 1k4m n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k4m s LEU 32 N 0.00 0.93 0.08 0.99 1.43 -0.95 -4.82 118.68 116.34 1k4m s LEU 32 Ca 0.00 0.01 0.22 0.00 -1.03 0.00 0.00 54.13 53.34 1k4m s LEU 32 Cb 0.00 -0.17 -0.08 0.00 0.03 0.00 0.00 46.19 45.98 1k4m s LEU 32 CO 0.00 -0.14 0.88 0.35 0.23 0.00 0.00 176.35 177.67 1k4m n THR 33 N 4.41 0.27 -3.72 5.49 -2.24 -1.26 -4.78 114.28 112.44 1k4m n THR 33 Ca -0.22 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.02 1k4m n THR 33 Cb 0.50 -0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 1k4m n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k4m s ARG 34 N -3.33 0.53 -0.09 -0.78 1.70 -1.26 -4.69 118.95 111.03 1k4m s ARG 34 Ca -0.01 0.61 0.02 0.00 -0.47 0.00 0.00 55.73 55.88 1k4m s ARG 34 Cb 0.13 0.26 0.01 0.00 -0.57 0.00 0.00 34.95 34.78 1k4m s ARG 34 CO 0.83 -0.07 -0.13 0.08 -1.08 0.00 0.00 175.30 174.93 1k4m s VAL 35 N 0.21 1.27 -0.31 4.99 1.01 -0.26 -3.46 120.40 123.84 1k4m s VAL 35 Ca -0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 1k4m s VAL 35 Cb -0.03 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1k4m s VAL 35 CO 0.01 0.39 0.22 -0.89 0.00 0.00 0.00 175.10 174.83 1k4m s THR 36 N 0.88 5.29 0.08 3.92 2.01 -0.13 -1.94 115.64 125.76 1k4m s THR 36 Ca -0.10 0.02 -0.27 0.00 0.31 0.00 0.00 61.69 61.64 1k4m s THR 36 Cb -0.15 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.68 1k4m s THR 36 CO 0.01 0.12 0.86 -0.63 -0.69 0.00 0.00 174.62 174.30 1k4m s ILE 37 N 1.76 4.60 -0.42 1.82 1.01 0.31 0.29 121.20 130.58 1k4m s ILE 37 Ca 0.07 1.85 0.03 0.00 0.00 0.00 0.00 60.65 62.60 1k4m s ILE 37 Cb -0.17 -4.22 0.12 0.00 0.01 0.00 0.00 42.46 38.20 1k4m s ILE 37 CO 0.11 0.35 0.17 -0.63 0.00 0.00 0.00 174.94 174.94 1k4m s ILE 38 N -0.06 1.88 0.38 2.92 1.01 0.13 -1.24 121.20 126.22 1k4m s ILE 38 Ca 0.43 -2.54 -0.24 0.00 0.00 0.00 0.00 60.65 58.30 1k4m s ILE 38 Cb -0.22 -2.35 -0.09 0.00 0.01 0.00 0.00 42.46 39.81 1k4m s ILE 38 CO 0.26 -0.76 1.01 -2.16 0.00 0.00 0.00 174.94 173.30 1k4m s PRO 39 N 0.51 4.30 0.41 2.79 0.04 -1.26 -1.98 135.00 139.80 1k4m s PRO 39 Ca 0.14 1.41 0.07 0.00 0.04 0.00 0.00 61.00 62.67 1k4m s PRO 39 Cb -0.22 -2.58 -0.07 0.00 0.04 0.00 0.00 34.50 31.67 1k4m s PRO 39 CO -0.06 -0.01 0.09 0.54 0.04 0.00 0.00 177.00 177.60 1k4m s ASN 40 N -1.65 4.13 0.00 6.66 2.20 -0.36 -4.10 114.94 121.83 1k4m s ASN 40 Ca 0.56 -1.23 0.00 0.00 -0.94 0.00 0.00 52.86 51.25 1k4m s ASN 40 Cb -0.20 -0.44 0.00 0.00 -2.00 0.00 0.00 41.25 38.62 1k4m s ASN 40 CO 0.25 -0.48 0.00 -3.20 -2.94 0.00 0.00 177.10 170.72 1k4m n ASN 41 N -1.09 0.00 -3.19 3.54 5.15 -1.26 -4.78 115.26 113.64 1k4m n ASN 41 Ca -0.03 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.70 1k4m n ASN 41 Cb 0.66 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.85 1k4m n ASN 41 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1k4m n VAL 42 N -0.71 1.35 -1.66 3.44 0.24 -1.26 -4.73 118.33 115.00 1k4m n VAL 42 Ca 0.00 -4.92 -0.41 0.00 -2.04 0.00 0.00 64.34 56.97 1k4m n VAL 42 Cb 0.00 -1.48 0.01 0.00 -1.47 0.00 0.00 33.84 30.90 1k4m n VAL 42 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1k4m n PRO 43 N 0.55 1.61 0.26 7.34 -0.04 -1.26 -4.90 135.00 138.55 1k4m n PRO 43 Ca 0.27 0.58 0.17 0.00 -0.04 0.00 0.00 63.50 64.48 1k4m n PRO 43 Cb 0.48 -2.22 0.71 0.00 -0.04 0.00 0.00 33.50 32.43 1k4m n PRO 43 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1k4m h PRO 44 N 1.76 0.00 0.00 0.54 0.13 -1.97 -3.19 132.00 129.26 1k4m h PRO 44 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1k4m h PRO 44 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1k4m h PRO 44 CO 0.58 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.96 1k4m n HIS 45 N -2.93 0.00 -3.73 1.56 1.44 -1.26 -4.82 115.22 105.48 1k4m n HIS 45 Ca 0.00 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.61 1k4m n HIS 45 Cb 0.26 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.31 1k4m n HIS 45 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 1k4m s ARG 46 N -2.00 0.95 1.14 -1.40 1.70 -1.21 -5.16 118.95 112.97 1k4m s ARG 46 Ca 0.41 -0.76 -0.13 0.00 -0.47 0.00 0.00 55.73 54.77 1k4m s ARG 46 Cb 0.19 0.41 0.27 0.00 -0.57 0.00 0.00 34.95 35.24 1k4m s ARG 46 CO 0.31 -0.34 1.04 -1.25 -1.08 0.00 0.00 175.30 173.98 1k4m s PRO 47 N -3.64 -0.68 0.32 3.89 0.04 -1.26 -4.78 135.00 128.88 1k4m s PRO 47 Ca 0.02 0.72 -0.29 0.00 0.04 0.00 0.00 61.00 61.49 1k4m s PRO 47 Cb 0.03 -1.59 -0.11 0.00 0.04 0.00 0.00 34.50 32.87 1k4m s PRO 47 CO -0.10 -3.53 1.46 -1.14 0.04 0.00 0.00 177.00 173.72 1k4m s GLN 48 N -4.59 4.21 0.58 4.56 0.74 -1.26 -4.93 119.66 118.97 1k4m s GLN 48 Ca 0.68 2.42 -0.18 0.00 0.05 0.00 0.00 55.36 58.33 1k4m s GLN 48 Cb -0.23 -3.04 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 1k4m s GLN 48 CO 0.63 -0.45 1.15 -2.14 -0.55 0.00 0.00 175.29 173.93 1k4m s PRO 49 N -1.27 3.13 -0.04 1.67 0.02 -1.26 -4.97 135.00 132.29 1k4m s PRO 49 Ca 0.56 1.63 -0.22 0.00 0.02 0.00 0.00 61.00 62.98 1k4m s PRO 49 Cb -0.44 -1.97 -0.17 0.00 0.02 0.00 0.00 34.50 31.94 1k4m s PRO 49 CO 0.53 -1.03 0.95 0.93 -0.33 0.00 0.00 177.00 178.05 1k4m h GLU 50 N 0.87 -0.20 -6.92 5.54 5.08 -1.93 -3.43 114.58 113.59 1k4m h GLU 50 Ca -0.49 0.01 -0.48 0.00 -1.00 0.00 0.00 59.36 57.40 1k4m h GLU 50 Cb 1.27 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1k4m h GLU 50 CO 0.56 0.24 0.38 0.00 -1.00 0.00 0.00 179.01 179.19 1k4m s ALA 51 N -3.84 3.16 0.74 3.43 0.00 -1.26 -5.02 121.76 118.97 1k4m s ALA 51 Ca -0.13 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 52.41 1k4m s ALA 51 Cb 0.01 -3.23 0.08 0.00 0.00 0.00 0.00 23.12 19.98 1k4m s ALA 51 CO 0.51 -0.01 0.54 0.27 0.00 0.00 0.00 175.76 177.07 1k4m n ASN 52 N 0.29 0.38 0.16 0.00 0.23 -1.26 -4.77 115.26 110.30 1k4m n ASN 52 Ca 0.03 -1.40 -0.15 0.00 -0.53 0.00 0.00 54.58 52.53 1k4m n ASN 52 Cb 0.50 -0.38 -0.07 0.00 -2.08 0.00 0.00 39.78 37.74 1k4m n ASN 52 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1k4m h SER 53 N -0.52 -1.05 -0.73 0.53 0.87 -1.93 0.43 113.55 111.15 1k4m h SER 53 Ca -0.18 0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.43 1k4m h SER 53 Cb 0.57 0.38 -0.03 0.00 -0.44 0.00 0.00 62.40 62.88 1k4m h SER 53 CO 0.16 -0.48 0.23 0.58 -0.53 0.00 0.00 176.83 176.79 1k4m h VAL 54 N -0.67 1.26 0.18 2.23 2.07 -1.99 -1.98 116.25 117.35 1k4m h VAL 54 Ca 0.00 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1k4m h VAL 54 Cb 0.65 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1k4m h VAL 54 CO -0.15 0.35 -0.09 1.56 0.02 0.00 0.00 177.57 179.26 1k4m h GLN 55 N 1.09 -0.23 -0.52 1.57 4.20 -1.89 0.70 115.11 120.02 1k4m h GLN 55 Ca 0.24 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1k4m h GLN 55 Cb 0.30 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1k4m h GLN 55 CO -0.01 -0.02 0.35 0.00 -0.67 0.00 0.00 178.83 178.47 1k4m h ARG 56 N -0.41 0.69 -0.21 1.46 3.08 -0.85 0.94 114.38 119.08 1k4m h ARG 56 Ca -0.02 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1k4m h ARG 56 Cb 0.32 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1k4m h ARG 56 CO 0.04 0.46 -0.09 -0.22 -1.07 0.00 0.00 179.97 179.09 1k4m h LYS 57 N 0.71 0.44 -0.85 0.04 3.64 -1.21 -1.61 116.57 117.73 1k4m h LYS 57 Ca 0.19 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1k4m h LYS 57 Cb -0.08 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 1k4m h LYS 57 CO -0.04 0.71 0.51 1.25 -2.27 0.00 0.00 179.45 179.61 1k4m h HIS 58 N 0.14 1.13 -0.64 1.91 2.76 0.05 -0.41 115.15 120.10 1k4m h HIS 58 Ca 0.05 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 1k4m h HIS 58 Cb 0.57 -0.37 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 1k4m h HIS 58 CO 0.06 0.76 0.27 0.52 -1.30 0.00 0.00 177.93 178.24 1k4m h MET 59 N 1.17 0.93 -0.42 5.26 2.86 -0.70 -0.72 114.93 123.32 1k4m h MET 59 Ca 0.31 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.77 1k4m h MET 59 Cb -0.04 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 1k4m h MET 59 CO -0.06 0.75 0.12 -0.07 1.06 0.00 0.00 176.91 178.71 1k4m h LEU 60 N 0.92 0.62 -1.02 1.22 3.38 -0.36 -0.91 115.31 119.15 1k4m h LEU 60 Ca 0.22 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1k4m h LEU 60 Cb 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1k4m h LEU 60 CO -0.02 0.67 -0.06 -0.33 0.09 0.00 0.00 178.44 178.78 1k4m h GLU 61 N 0.54 0.63 -0.10 1.13 5.08 -0.63 -2.06 114.58 119.17 1k4m h GLU 61 Ca 0.13 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1k4m h GLU 61 Cb 0.27 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1k4m h GLU 61 CO -0.00 0.70 0.02 -0.07 -1.00 0.00 0.00 179.01 178.65 1k4m h LEU 62 N 0.59 0.17 -1.82 1.33 3.38 -0.88 -1.77 115.31 116.30 1k4m h LEU 62 Ca 0.11 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1k4m h LEU 62 Cb 0.46 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1k4m h LEU 62 CO 0.02 0.38 0.04 0.00 0.09 0.00 0.00 178.44 178.97 1k4m h ALA 63 N 0.79 1.86 -0.14 1.53 0.00 -0.95 -2.96 119.26 119.40 1k4m h ALA 63 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1k4m h ALA 63 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1k4m h ALA 63 CO 0.00 0.11 0.00 0.44 0.00 0.00 0.00 179.25 179.81 1k4m n ILE 64 N -4.49 0.20 -0.35 0.00 -5.35 -0.79 -4.61 119.36 103.98 1k4m n ILE 64 Ca -0.01 -0.60 0.16 0.00 -0.27 0.00 0.00 62.75 62.03 1k4m n ILE 64 Cb 0.11 1.22 0.37 0.00 -1.74 0.00 0.00 39.64 39.60 1k4m n ILE 64 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1k4m h ALA 65 N 3.72 1.77 -0.42 -1.28 0.00 -1.14 0.07 119.26 121.98 1k4m h ALA 65 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1k4m h ALA 65 Cb 0.82 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1k4m h ALA 65 CO 0.00 -0.21 0.03 -0.25 0.00 0.00 0.00 179.25 178.82 1k4m n ASP 66 N -4.84 4.53 -3.85 0.00 8.00 -1.26 -4.72 116.55 114.40 1k4m n ASP 66 Ca 0.26 -3.06 -0.29 0.00 0.71 0.00 0.00 54.79 52.41 1k4m n ASP 66 Cb 0.70 -0.62 -0.12 0.00 -0.02 0.00 0.00 41.12 41.05 1k4m n ASP 66 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1k4m s LYS 67 N -2.86 2.07 0.35 -1.24 1.02 0.01 -4.97 119.74 114.11 1k4m s LYS 67 Ca 0.48 -2.90 0.13 0.00 0.02 0.00 0.00 55.97 53.70 1k4m s LYS 67 Cb 0.38 -3.10 0.72 0.00 -0.52 0.00 0.00 37.83 35.31 1k4m s LYS 67 CO 0.11 -1.23 1.30 -1.35 -0.92 0.00 0.00 175.35 173.26 1k4m h PRO 68 N 5.86 0.00 -0.66 -1.68 0.11 -1.85 -1.39 132.00 132.39 1k4m h PRO 68 Ca 0.08 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.13 1k4m h PRO 68 Cb 0.82 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 1k4m h PRO 68 CO 0.65 0.00 0.17 1.25 -0.21 0.00 0.00 178.00 179.86 1k4m h LEU 69 N 0.00 1.00 -9.88 2.35 5.85 -1.92 -3.45 115.31 109.25 1k4m h LEU 69 Ca 0.00 -0.23 -0.55 0.00 0.84 0.00 0.00 57.88 57.94 1k4m h LEU 69 Cb 0.67 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1k4m h LEU 69 CO 0.00 0.97 -0.09 -0.36 -0.34 0.00 0.00 178.44 178.61 1k4m s PHE 70 N -5.33 3.54 0.09 1.25 0.40 -0.52 -1.11 117.98 116.30 1k4m s PHE 70 Ca -0.12 1.00 -0.04 0.00 -0.60 0.00 0.00 56.93 57.17 1k4m s PHE 70 Cb 0.14 -2.34 -0.02 0.00 0.51 0.00 0.00 43.02 41.31 1k4m s PHE 70 CO 0.83 0.37 0.08 -0.08 0.70 0.00 0.00 175.22 177.13 1k4m s THR 71 N -1.59 0.16 0.01 0.64 -1.32 -0.82 -4.95 115.64 107.79 1k4m s THR 71 Ca 0.41 -1.58 0.04 0.00 -1.21 0.00 0.00 61.69 59.35 1k4m s THR 71 Cb -0.14 -1.57 -0.03 0.00 -1.51 0.00 0.00 72.50 69.25 1k4m s THR 71 CO 0.20 -0.74 -0.08 -0.76 -2.21 0.00 0.00 174.62 171.03 1k4m s LEU 72 N -2.93 3.10 -0.18 9.08 1.02 -1.26 -0.53 118.68 126.99 1k4m s LEU 72 Ca 0.10 -0.19 0.01 0.00 0.02 0.00 0.00 54.13 54.07 1k4m s LEU 72 Cb 0.06 -1.79 0.03 0.00 0.02 0.00 0.00 46.19 44.51 1k4m s LEU 72 CO -0.08 0.27 -0.16 -0.62 0.02 0.00 0.00 176.35 175.79 1k4m s ASP 73 N -1.46 3.18 0.00 2.29 3.68 -0.37 -4.90 116.67 119.09 1k4m s ASP 73 Ca 0.17 -0.72 0.22 0.00 2.13 0.00 0.00 52.55 54.36 1k4m s ASP 73 Cb -0.11 -1.36 0.63 0.00 -1.45 0.00 0.00 42.92 40.62 1k4m s ASP 73 CO 0.08 -0.06 1.49 -0.62 0.13 0.00 0.00 175.17 176.19 1k4m n GLU 74 N 4.65 2.01 -0.35 4.34 1.02 -1.26 -4.19 120.64 126.87 1k4m n GLU 74 Ca -0.18 -1.52 0.15 0.00 -0.02 0.00 0.00 57.16 55.59 1k4m n GLU 74 Cb 0.49 -1.44 0.35 0.00 -0.02 0.00 0.00 31.44 30.81 1k4m n GLU 74 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 1k4m h ARG 75 N 3.11 0.65 0.00 3.49 0.11 -1.95 0.16 114.38 119.94 1k4m h ARG 75 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1k4m h ARG 75 Cb 0.68 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.61 1k4m h ARG 75 CO 0.00 0.43 0.00 0.39 0.10 0.00 0.00 179.97 180.89 1k4m n GLU 76 N -4.83 0.18 0.03 0.08 1.02 -1.26 -0.84 120.64 115.02 1k4m n GLU 76 Ca 0.25 0.24 0.02 0.00 -0.02 0.00 0.00 57.16 57.65 1k4m n GLU 76 Cb 0.65 -1.75 -0.08 0.00 -0.02 0.00 0.00 31.44 30.24 1k4m n GLU 76 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1k4m n LEU 77 N -2.08 0.70 0.00 -4.62 4.77 0.41 -4.12 117.00 112.06 1k4m n LEU 77 Ca 0.05 0.30 0.11 0.00 -0.03 0.00 0.00 56.01 56.43 1k4m n LEU 77 Cb 0.34 0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 1k4m n LEU 77 CO 0.26 0.10 0.02 0.29 -1.33 0.00 0.00 177.39 176.73 1k4m n LYS 78 N -2.78 0.05 -2.30 3.23 5.02 -0.37 -4.95 118.16 116.08 1k4m n LYS 78 Ca -0.09 -0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.78 1k4m n LYS 78 Cb 0.79 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 34.26 1k4m n LYS 78 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1k4m s ARG 79 N -3.04 4.47 -0.04 1.97 3.52 -0.02 -4.96 118.95 120.86 1k4m s ARG 79 Ca 0.07 1.99 -0.23 0.00 -0.13 0.00 0.00 55.73 57.43 1k4m s ARG 79 Cb 0.16 -3.17 -0.17 0.00 -1.56 0.00 0.00 34.95 30.20 1k4m s ARG 79 CO 0.83 -0.08 1.03 -0.91 -0.81 0.00 0.00 175.30 175.37 1k4m h ASN 80 N 4.45 -0.17 -4.19 -2.12 2.35 -1.92 -3.46 115.58 110.53 1k4m h ASN 80 Ca -0.46 -0.37 -0.47 0.00 -0.55 0.00 0.00 56.30 54.45 1k4m h ASN 80 Cb 1.22 0.04 0.13 0.00 0.05 0.00 0.00 38.32 39.76 1k4m h ASN 80 CO 0.71 0.35 0.29 0.00 -1.65 0.00 0.00 177.43 177.13 1k4m s ALA 81 N -4.00 1.77 0.73 -0.83 0.00 -1.26 -4.98 121.76 113.19 1k4m s ALA 81 Ca -0.14 -0.37 -0.15 0.00 0.00 0.00 0.00 51.96 51.30 1k4m s ALA 81 Cb 0.01 -3.08 0.04 0.00 0.00 0.00 0.00 23.12 20.09 1k4m s ALA 81 CO 0.54 -2.21 1.22 -2.14 0.00 0.00 0.00 175.76 173.17 1k4m s PRO 82 N -5.17 2.09 0.08 0.00 0.02 -1.26 -5.00 135.00 125.76 1k4m s PRO 82 Ca 0.63 1.81 0.01 0.00 0.02 0.00 0.00 61.00 63.47 1k4m s PRO 82 Cb -0.15 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 1k4m s PRO 82 CO 0.54 -1.89 0.22 -1.12 -0.33 0.00 0.00 177.00 174.43 1k4m s SER 83 N -1.95 6.30 -0.03 2.53 0.01 -1.26 -5.10 113.70 114.20 1k4m s SER 83 Ca 0.76 0.23 0.00 0.00 1.31 0.00 0.00 55.95 58.25 1k4m s SER 83 Cb -0.31 -1.92 0.03 0.00 0.21 0.00 0.00 66.02 64.03 1k4m s SER 83 CO 0.45 0.14 0.00 -0.31 0.41 0.00 0.00 173.24 173.94 1k4m s TYR 84 N -1.56 0.34 0.31 2.43 1.51 -1.26 -4.97 117.35 114.15 1k4m s TYR 84 Ca 0.35 -0.01 0.05 0.00 -1.01 0.00 0.00 57.07 56.45 1k4m s TYR 84 Cb -0.12 -0.45 0.69 0.00 -0.11 0.00 0.00 41.96 41.97 1k4m s TYR 84 CO 0.28 -0.15 1.81 1.15 -1.11 0.00 0.00 175.55 177.53 1k4m h THR 85 N 6.25 0.80 -0.58 -0.71 2.02 -1.99 0.21 112.91 118.90 1k4m h THR 85 Ca -0.39 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 66.54 1k4m h THR 85 Cb 1.13 -0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1k4m h THR 85 CO 0.44 0.15 0.39 0.00 0.37 0.00 0.00 175.52 176.87 1k4m h ALA 86 N 1.60 1.73 0.08 6.16 0.00 -1.90 -0.47 119.26 126.46 1k4m h ALA 86 Ca 0.53 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 55.19 1k4m h ALA 86 Cb 0.74 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1k4m h ALA 86 CO -0.31 0.19 -0.94 0.37 0.00 0.00 0.00 179.25 178.57 1k4m h GLN 87 N 0.64 0.50 -0.86 0.00 5.75 -0.99 -2.19 115.11 117.96 1k4m h GLN 87 Ca 0.24 -0.64 0.02 0.00 -0.15 0.00 0.00 58.65 58.12 1k4m h GLN 87 Cb 0.14 0.21 -0.05 0.00 1.07 0.00 0.00 27.48 28.85 1k4m h GLN 87 CO -0.07 1.26 0.56 1.15 -2.65 0.00 0.00 178.83 179.09 1k4m h THR 88 N 0.03 1.18 -0.05 2.39 2.02 -0.79 -0.95 112.91 116.73 1k4m h THR 88 Ca -0.14 -0.38 -0.14 0.00 0.77 0.00 0.00 66.41 66.52 1k4m h THR 88 Cb 1.65 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1k4m h THR 88 CO 0.18 0.20 -0.59 -0.07 0.37 0.00 0.00 175.52 175.62 1k4m h LEU 89 N 1.11 0.17 -0.56 2.58 3.38 -1.14 -1.07 115.31 119.79 1k4m h LEU 89 Ca 0.33 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1k4m h LEU 89 Cb -0.06 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1k4m h LEU 89 CO -0.09 0.72 0.24 0.50 0.09 0.00 0.00 178.44 179.89 1k4m h LYS 90 N 0.11 0.83 -0.20 1.13 3.64 -0.70 -0.13 116.57 121.25 1k4m h LYS 90 Ca -0.00 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1k4m h LYS 90 Cb 1.06 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1k4m h LYS 90 CO 0.09 0.71 0.07 0.93 -2.27 0.00 0.00 179.45 178.97 1k4m h GLU 91 N 0.77 0.31 -0.31 1.90 5.08 -0.97 -1.81 114.58 119.55 1k4m h GLU 91 Ca 0.19 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1k4m h GLU 91 Cb 0.17 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1k4m h GLU 91 CO -0.02 0.40 0.09 -1.49 -1.00 0.00 0.00 179.01 176.98 1k4m h TRP 92 N 0.16 0.15 -0.69 4.33 4.06 -0.88 0.13 115.95 123.20 1k4m h TRP 92 Ca 0.07 0.02 0.09 0.00 2.06 0.00 0.00 58.89 61.12 1k4m h TRP 92 Cb 0.21 -0.02 -0.07 0.00 -1.00 0.00 0.00 29.16 28.28 1k4m h TRP 92 CO -0.00 0.05 0.34 -0.09 -3.56 0.00 0.00 178.44 175.18 1k4m h ARG 93 N 0.21 0.57 -0.59 0.49 9.65 -0.88 0.28 114.38 124.11 1k4m h ARG 93 Ca 0.14 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.90 1k4m h ARG 93 Cb 0.13 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 1k4m h ARG 93 CO -0.16 0.38 0.02 0.37 2.80 0.00 0.00 179.97 183.37 1k4m h GLN 94 N 0.59 1.03 -0.08 0.20 4.15 -0.69 -1.67 115.11 118.64 1k4m h GLN 94 Ca 0.34 -0.32 -0.20 0.00 0.77 0.00 0.00 58.65 59.24 1k4m h GLN 94 Cb 0.34 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 1k4m h GLN 94 CO -0.26 1.01 -0.77 0.93 -1.93 0.00 0.00 178.83 177.81 1k4m h GLU 95 N 0.92 0.47 0.00 1.69 5.08 0.17 -3.33 114.58 119.58 1k4m h GLU 95 Ca 0.17 -0.40 -0.20 0.00 -1.00 0.00 0.00 59.36 57.93 1k4m h GLU 95 Cb 0.53 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1k4m h GLU 95 CO 0.03 1.03 -1.11 1.96 -1.00 0.00 0.00 179.01 179.92 1k4m h GLN 96 N 0.31 0.00 0.00 2.33 1.08 -0.44 -3.51 115.11 114.88 1k4m h GLN 96 Ca -0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1k4m h GLN 96 Cb 1.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.79 1k4m h GLN 96 CO 0.14 0.68 0.00 0.41 -0.95 0.00 0.00 178.83 179.11 1k4m n GLY 97 N 1.38 1.91 0.00 3.46 0.00 -0.63 -4.68 105.19 106.62 1k4m n GLY 97 Ca -0.05 -1.99 0.14 0.00 0.00 0.00 0.00 46.02 44.12 1k4m n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k4m n PRO 98 N 1.34 0.39 -0.36 1.61 -0.04 -1.26 -3.89 135.00 132.80 1k4m n PRO 98 Ca 0.00 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.55 1k4m n PRO 98 Cb 0.00 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.20 1k4m n PRO 98 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1k4m n ASP 99 N -1.29 3.66 -4.54 3.54 8.00 -1.26 -4.76 116.55 119.90 1k4m n ASP 99 Ca 0.13 -2.35 -0.37 0.00 0.71 0.00 0.00 54.79 52.91 1k4m n ASP 99 Cb 0.23 -0.41 -0.11 0.00 -0.02 0.00 0.00 41.12 40.81 1k4m n ASP 99 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k4m s VAL 100 N -1.64 4.99 0.27 2.53 1.01 -1.25 -0.51 120.40 125.80 1k4m s VAL 100 Ca 0.36 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 1k4m s VAL 100 Cb 0.23 -3.36 -0.10 0.00 0.00 0.00 0.00 36.38 33.15 1k4m s VAL 100 CO 0.17 0.28 1.26 -2.84 0.00 0.00 0.00 175.10 173.98 1k4m s PRO 101 N 1.70 4.43 -0.02 2.72 0.02 -1.26 -4.73 135.00 137.86 1k4m s PRO 101 Ca 0.07 2.07 0.05 0.00 0.02 0.00 0.00 61.00 63.20 1k4m s PRO 101 Cb -0.16 -3.14 -0.01 0.00 0.02 0.00 0.00 34.50 31.21 1k4m s PRO 101 CO 0.09 -0.12 -0.18 -0.51 -0.33 0.00 0.00 177.00 175.95 1k4m s LEU 102 N -1.11 2.00 -0.01 -5.54 1.02 -0.77 -1.61 118.68 112.66 1k4m s LEU 102 Ca 0.51 -0.33 0.02 0.00 0.02 0.00 0.00 54.13 54.35 1k4m s LEU 102 Cb -0.37 -0.93 -0.00 0.00 0.02 0.00 0.00 46.19 44.91 1k4m s LEU 102 CO 0.45 0.20 -0.07 0.00 0.02 0.00 0.00 176.35 176.95 1k4m s ALA 103 N -0.30 0.67 -0.16 4.21 0.00 -0.30 0.11 121.76 126.00 1k4m s ALA 103 Ca 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 1k4m s ALA 103 Cb -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1k4m s ALA 103 CO 0.00 0.14 -0.09 0.12 0.00 0.00 0.00 175.76 175.93 1k4m s PHE 104 N -0.01 2.89 -0.15 0.00 5.36 -0.29 -0.45 117.98 125.33 1k4m s PHE 104 Ca 0.01 -0.64 -0.08 0.00 -0.96 0.00 0.00 56.93 55.26 1k4m s PHE 104 Cb -0.05 -1.93 -0.04 0.00 -0.34 0.00 0.00 43.02 40.66 1k4m s PHE 104 CO -0.00 -0.25 0.14 0.42 -1.46 0.00 0.00 175.22 174.07 1k4m s ILE 105 N 0.61 5.47 0.13 3.12 1.01 -0.07 -1.61 121.20 129.86 1k4m s ILE 105 Ca -0.05 0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.73 1k4m s ILE 105 Cb -0.15 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 1k4m s ILE 105 CO 0.03 0.55 0.21 0.27 0.00 0.00 0.00 174.94 176.00 1k4m s ILE 106 N -0.52 0.10 0.39 2.92 -4.36 -0.81 -4.20 121.20 114.73 1k4m s ILE 106 Ca 0.13 -1.44 -0.01 0.00 -0.26 0.00 0.00 60.65 59.07 1k4m s ILE 106 Cb -0.12 -1.73 -0.03 0.00 1.25 0.00 0.00 42.46 41.83 1k4m s ILE 106 CO 0.02 -0.45 0.62 -0.83 0.24 0.00 0.00 174.94 174.54 1k4m s GLY 107 N -2.95 1.39 0.36 6.27 0.00 -1.26 -0.71 107.32 110.41 1k4m s GLY 107 Ca 0.15 -0.78 0.15 0.00 0.00 0.00 0.00 44.72 44.23 1k4m s GLY 107 CO -0.03 -0.69 1.73 -1.61 0.00 0.00 0.00 173.10 172.49 1k4m h GLN 108 N 0.59 0.42 -0.51 2.90 5.75 -1.12 0.38 115.11 123.53 1k4m h GLN 108 Ca -0.49 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 57.98 1k4m h GLN 108 Cb 1.21 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.64 1k4m h GLN 108 CO 0.61 0.28 0.30 0.38 -2.65 0.00 0.00 178.83 177.76 1k4m h ASP 109 N 0.44 0.60 0.28 -0.69 2.03 -1.92 -2.43 116.42 114.73 1k4m h ASP 109 Ca 0.65 -0.03 -0.24 0.00 -0.73 0.00 0.00 57.03 56.69 1k4m h ASP 109 Cb 1.50 -0.15 0.01 0.00 -0.83 0.00 0.00 39.33 39.86 1k4m h ASP 109 CO -0.43 0.46 -0.99 0.28 -1.03 0.00 0.00 179.24 177.53 1k4m h SER 110 N 0.69 0.61 -0.87 4.15 0.02 -1.31 -3.19 113.55 113.64 1k4m h SER 110 Ca 0.18 -0.50 0.07 0.00 -0.84 0.00 0.00 61.79 60.70 1k4m h SER 110 Cb -0.03 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.26 1k4m h SER 110 CO -0.03 1.31 0.54 0.25 -1.14 0.00 0.00 176.83 177.75 1k4m h LEU 111 N 0.25 0.84 -1.95 5.07 5.85 -0.99 -0.38 115.31 124.01 1k4m h LEU 111 Ca -0.10 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.70 1k4m h LEU 111 Cb 1.64 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 1k4m h LEU 111 CO 0.18 0.52 0.16 -0.07 -0.34 0.00 0.00 178.44 178.89 1k4m h LEU 112 N 0.97 0.05 -0.94 2.25 3.38 -1.46 -1.33 115.31 118.22 1k4m h LEU 112 Ca 0.39 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1k4m h LEU 112 Cb 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1k4m h LEU 112 CO -0.19 0.03 -0.33 0.35 0.09 0.00 0.00 178.44 178.39 1k4m n THR 113 N -4.48 0.00 -0.30 0.22 -2.24 -0.29 -4.62 114.28 102.56 1k4m n THR 113 Ca 0.02 -0.24 0.10 0.00 -2.27 0.00 0.00 64.05 61.66 1k4m n THR 113 Cb 0.27 0.98 0.27 0.00 -2.10 0.00 0.00 70.33 69.74 1k4m n THR 113 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1k4m h PHE 114 N 2.30 0.75 0.00 4.78 3.57 0.04 -1.44 116.94 126.95 1k4m h PHE 114 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1k4m h PHE 114 Cb 0.69 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1k4m h PHE 114 CO 0.00 0.09 0.00 -2.30 -2.23 0.00 0.00 178.31 173.87 1k4m n PRO 115 N -4.93 0.05 -0.01 6.41 -0.02 -1.26 -1.49 135.00 133.75 1k4m n PRO 115 Ca 0.20 0.29 0.12 0.00 -2.02 0.00 0.00 63.50 62.09 1k4m n PRO 115 Cb 0.53 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.64 1k4m n PRO 115 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1k4m n THR 116 N -1.34 0.02 -2.24 3.45 -2.24 -0.54 -4.92 114.28 106.48 1k4m n THR 116 Ca 0.02 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 60.97 1k4m n THR 116 Cb 0.04 1.43 -0.01 0.00 -2.10 0.00 0.00 70.33 69.70 1k4m n THR 116 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1k4m s TRP 117 N -1.98 3.05 -0.16 4.78 0.52 -0.55 -4.94 118.94 119.67 1k4m s TRP 117 Ca 0.29 1.52 -0.34 0.00 0.02 0.00 0.00 56.10 57.59 1k4m s TRP 117 Cb 0.20 -2.99 -0.12 0.00 -1.15 0.00 0.00 33.47 29.41 1k4m s TRP 117 CO 0.30 -0.93 1.94 0.98 0.02 0.00 0.00 176.95 179.26 1k4m n TYR 118 N -1.67 2.18 -4.11 -1.98 9.36 -1.26 -2.17 117.16 117.50 1k4m n TYR 118 Ca 0.09 0.08 -0.29 0.00 3.32 0.00 0.00 57.90 61.09 1k4m n TYR 118 Cb 0.53 -2.63 -0.05 0.00 -0.63 0.00 0.00 39.34 36.56 1k4m n TYR 118 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1k4m n GLU 119 N 6.92 -2.52 0.04 2.98 1.02 -1.26 -4.50 120.64 123.33 1k4m n GLU 119 Ca 0.26 0.30 0.12 0.00 -0.02 0.00 0.00 57.16 57.83 1k4m n GLU 119 Cb 0.28 -4.33 0.58 0.00 -0.02 0.00 0.00 31.44 27.95 1k4m n GLU 119 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 1k4m h TYR 120 N -1.75 0.21 0.00 -0.32 -0.00 -1.75 -2.31 116.97 111.06 1k4m h TYR 120 Ca -0.63 0.01 -0.01 0.00 0.00 0.00 0.00 58.73 58.09 1k4m h TYR 120 Cb 1.38 -0.07 -0.00 0.00 0.00 0.00 0.00 36.73 38.04 1k4m h TYR 120 CO 0.52 0.11 -0.04 0.93 -0.00 0.00 0.00 178.16 179.68 1k4m h GLU 121 N 0.20 0.00 0.00 0.10 5.08 -1.88 -2.69 114.58 115.39 1k4m h GLU 121 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1k4m h GLU 121 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1k4m h GLU 121 CO -0.03 0.04 -0.34 1.79 -1.00 0.00 0.00 179.01 179.47 1k4m h THR 122 N 0.00 0.00 -0.42 1.13 1.35 -1.78 -3.34 112.91 109.85 1k4m h THR 122 Ca -0.00 -0.64 0.01 0.00 -0.55 0.00 0.00 66.41 65.23 1k4m h THR 122 Cb 0.22 1.43 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 1k4m h THR 122 CO 0.00 0.00 0.26 0.40 -0.25 0.00 0.00 175.52 175.94 1k4m h ILE 123 N 0.00 1.08 0.00 6.82 2.04 -1.61 -1.59 117.51 124.25 1k4m h ILE 123 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1k4m h ILE 123 Cb 0.82 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1k4m h ILE 123 CO 0.00 0.10 0.00 0.18 0.00 0.00 0.00 178.15 178.43 1k4m n LEU 124 N -4.82 0.00 0.11 1.44 7.99 -1.25 -0.69 117.00 119.77 1k4m n LEU 124 Ca 0.01 0.40 -0.00 0.00 -0.01 0.00 0.00 56.01 56.41 1k4m n LEU 124 Cb 0.04 -0.40 -0.02 0.00 -0.11 0.00 0.00 43.42 42.92 1k4m n LEU 124 CO 0.34 -0.17 0.33 0.44 -1.51 0.00 0.00 177.39 176.81 1k4m h ASP 125 N 0.00 0.00 0.00 -1.43 3.32 -1.48 -2.04 116.42 114.79 1k4m h ASP 125 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1k4m h ASP 125 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1k4m h ASP 125 CO 0.00 0.64 -1.86 0.59 -1.72 0.00 0.00 179.24 176.89 1k4m n ASN 126 N -3.23 0.90 -3.56 6.45 3.02 -0.30 -4.83 115.26 113.72 1k4m n ASN 126 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.47 1k4m n ASN 126 Cb 0.80 1.70 -0.02 0.00 -0.61 0.00 0.00 39.78 41.66 1k4m n ASN 126 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k4m s ALA 127 N -3.14 -0.70 0.36 5.41 0.00 0.13 -4.74 121.76 119.07 1k4m s ALA 127 Ca -0.07 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1k4m s ALA 127 Cb 0.11 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 24.07 1k4m s ALA 127 CO 0.74 -0.96 0.56 -1.01 0.00 0.00 0.00 175.76 175.08 1k4m s HIS 128 N -3.39 3.48 -0.17 0.00 3.76 0.12 -2.14 115.29 116.94 1k4m s HIS 128 Ca 0.16 0.35 -0.00 0.00 -0.15 0.00 0.00 55.06 55.42 1k4m s HIS 128 Cb -0.04 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.72 1k4m s HIS 128 CO 0.10 0.08 -0.15 -1.17 -0.85 0.00 0.00 174.74 172.75 1k4m s LEU 129 N -4.34 2.43 -0.20 0.89 2.96 0.73 -1.14 118.68 120.01 1k4m s LEU 129 Ca 0.41 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.77 1k4m s LEU 129 Cb -0.10 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 1k4m s LEU 129 CO 0.36 0.04 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.75 1k4m s ILE 130 N 1.06 3.31 -0.18 6.68 1.01 -0.64 -0.73 121.20 131.71 1k4m s ILE 130 Ca -0.01 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.06 1k4m s ILE 130 Cb -0.14 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 1k4m s ILE 130 CO -0.04 0.45 0.02 -0.69 0.00 0.00 0.00 174.94 174.67 1k4m s VAL 131 N 1.25 4.30 -0.02 2.92 1.01 0.03 -1.92 120.40 127.97 1k4m s VAL 131 Ca 0.03 -0.21 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 1k4m s VAL 131 Cb -0.14 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1k4m s VAL 131 CO -0.02 0.45 0.37 0.00 0.00 0.00 0.00 175.10 175.90 1k4m s ARG 133 N -1.04 2.94 -0.06 0.00 0.52 -1.26 -0.57 118.95 119.49 1k4m s ARG 133 Ca 0.22 1.85 -0.02 0.00 -0.52 0.00 0.00 55.73 57.26 1k4m s ARG 133 Cb -0.16 -1.92 0.04 0.00 0.52 0.00 0.00 34.95 33.43 1k4m s ARG 133 CO 0.12 -1.23 0.11 0.50 0.02 0.00 0.00 175.30 174.82 1k4m s ARG 134 N -3.33 -0.00 0.41 3.54 3.52 -1.26 -4.71 118.95 117.11 1k4m s ARG 134 Ca 0.78 0.44 -0.26 0.00 -0.13 0.00 0.00 55.73 56.56 1k4m s ARG 134 Cb -0.31 -0.34 -0.10 0.00 -1.56 0.00 0.00 34.95 32.64 1k4m s ARG 134 CO 0.33 -0.28 1.26 -0.35 -0.81 0.00 0.00 175.30 175.45 1k4m n PRO 135 N 5.05 1.93 0.00 5.12 -0.04 -1.26 -3.06 135.00 142.74 1k4m n PRO 135 Ca -0.09 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1k4m n PRO 135 Cb 0.50 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1k4m n PRO 135 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k4m n GLY 136 N 0.83 2.80 3.84 0.55 0.00 -1.26 -5.03 105.19 106.92 1k4m n GLY 136 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1k4m n GLY 136 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k4m s TYR 137 N -1.98 3.36 0.53 1.61 1.51 -1.17 -5.03 117.35 116.18 1k4m s TYR 137 Ca 0.00 1.38 -0.22 0.00 -1.01 0.00 0.00 57.07 57.23 1k4m s TYR 137 Cb 0.00 -2.68 -0.05 0.00 -0.11 0.00 0.00 41.96 39.12 1k4m s TYR 137 CO 0.00 -0.05 1.27 -2.14 -1.11 0.00 0.00 175.55 173.51 1k4m s PRO 138 N -3.26 3.31 0.11 -1.71 0.02 -1.26 -4.92 135.00 127.30 1k4m s PRO 138 Ca 0.57 2.01 0.22 0.00 0.02 0.00 0.00 61.00 63.82 1k4m s PRO 138 Cb -0.10 -2.25 -0.08 0.00 0.02 0.00 0.00 34.50 32.10 1k4m s PRO 138 CO 0.18 -0.98 0.89 1.28 -0.33 0.00 0.00 177.00 178.04 1k4m n LEU 139 N -0.95 0.57 -4.67 -5.54 4.77 -1.26 -4.92 117.00 105.00 1k4m n LEU 139 Ca 0.10 0.17 -0.32 0.00 -0.03 0.00 0.00 56.01 55.93 1k4m n LEU 139 Cb 0.47 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.42 1k4m n LEU 139 CO 0.49 -0.09 -0.34 -1.61 -1.33 0.00 0.00 177.39 174.52 1k4m s GLU 140 N -3.37 2.68 0.58 3.23 2.02 -1.26 -5.09 118.70 117.48 1k4m s GLU 140 Ca -0.02 -0.69 -0.19 0.00 0.02 0.00 0.00 54.97 54.08 1k4m s GLU 140 Cb 0.12 -2.60 -0.05 0.00 0.10 0.00 0.00 34.13 31.69 1k4m s GLU 140 CO 0.82 0.60 1.05 -1.33 0.02 0.00 0.00 175.26 176.42 1k4m n MET 141 N 1.18 1.06 0.05 1.61 2.81 -1.26 -4.93 117.12 117.64 1k4m n MET 141 Ca -0.14 0.40 -0.12 0.00 -1.81 0.00 0.00 57.70 56.04 1k4m n MET 141 Cb 0.52 -2.24 -0.07 0.00 -0.71 0.00 0.00 33.22 30.72 1k4m n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1k4m h ALA 142 N 0.71 -0.02 -2.72 3.04 0.00 -1.97 -3.43 119.26 114.87 1k4m h ALA 142 Ca -0.49 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 53.76 1k4m h ALA 142 Cb 1.35 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 1k4m h ALA 142 CO 0.52 -0.51 -0.47 -0.65 0.00 0.00 0.00 179.25 178.15 1k4m s GLN 143 N -6.15 3.55 0.33 0.00 -0.21 -1.26 -5.01 119.66 110.92 1k4m s GLN 143 Ca -0.13 -0.12 0.11 0.00 0.02 0.00 0.00 55.36 55.24 1k4m s GLN 143 Cb 0.06 -3.22 0.90 0.00 1.00 0.00 0.00 33.01 31.74 1k4m s GLN 143 CO 0.66 0.72 1.76 -1.35 -2.12 0.00 0.00 175.29 174.95 1k4m h PRO 144 N 5.18 0.57 -0.59 2.91 0.11 -1.99 -0.97 132.00 137.23 1k4m h PRO 144 Ca -0.53 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.50 1k4m h PRO 144 Cb 1.22 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1k4m h PRO 144 CO 0.60 0.38 0.17 -0.56 -0.21 0.00 0.00 178.00 178.39 1k4m h GLN 145 N 0.59 0.89 0.00 1.05 3.07 -1.97 0.02 115.11 118.76 1k4m h GLN 145 Ca 0.61 -0.17 -0.07 0.00 0.09 0.00 0.00 58.65 59.11 1k4m h GLN 145 Cb 1.19 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 28.60 1k4m h GLN 145 CO -0.40 0.78 -0.34 1.88 0.09 0.00 0.00 178.83 180.84 1k4m h TYR 146 N 0.87 0.00 -0.05 0.06 0.99 -1.60 -2.00 116.97 115.23 1k4m h TYR 146 Ca 0.19 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.77 1k4m h TYR 146 Cb 0.27 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.99 1k4m h TYR 146 CO 0.02 0.31 -0.65 0.37 -0.00 0.00 0.00 178.16 178.21 1k4m h GLN 147 N 0.00 0.20 -0.28 4.88 5.75 -0.93 0.15 115.11 124.89 1k4m h GLN 147 Ca -0.01 -0.15 -0.05 0.00 -0.15 0.00 0.00 58.65 58.29 1k4m h GLN 147 Cb 1.24 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.81 1k4m h GLN 147 CO 0.04 0.79 -0.02 1.96 -2.65 0.00 0.00 178.83 178.95 1k4m h GLN 148 N 0.15 0.50 -0.75 1.69 1.08 -0.67 0.20 115.11 117.30 1k4m h GLN 148 Ca -0.01 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1k4m h GLN 148 Cb 1.18 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.53 1k4m h GLN 148 CO 0.10 0.67 0.47 2.35 -0.95 0.00 0.00 178.83 181.46 1k4m h TRP 149 N 0.27 0.97 0.95 2.96 7.01 -1.12 -0.43 115.95 126.57 1k4m h TRP 149 Ca 0.08 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.03 1k4m h TRP 149 Cb 0.46 -0.32 0.01 0.00 -2.10 0.00 0.00 29.16 27.20 1k4m h TRP 149 CO 0.04 0.64 -0.46 1.25 -2.79 0.00 0.00 178.44 177.12 1k4m h LEU 150 N 1.02 -1.08 -1.90 0.65 5.85 -0.56 -2.80 115.31 116.49 1k4m h LEU 150 Ca 0.27 0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.13 1k4m h LEU 150 Cb -0.06 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1k4m h LEU 150 CO -0.05 -0.77 0.31 -0.33 -0.34 0.00 0.00 178.44 177.26 1k4m h GLU 151 N -1.28 0.11 0.00 1.25 5.08 -0.84 -1.23 114.58 117.67 1k4m h GLU 151 Ca -0.13 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1k4m h GLU 151 Cb 0.98 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1k4m h GLU 151 CO 0.21 0.07 0.00 -0.44 -1.00 0.00 0.00 179.01 177.86 1k4m h ASP 152 N 0.11 0.00 -0.00 1.42 3.32 -0.81 -3.23 116.42 117.23 1k4m h ASP 152 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1k4m h ASP 152 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1k4m h ASP 152 CO -0.02 0.00 -0.11 1.41 -1.72 0.00 0.00 179.24 178.80 1k4m n HIS 153 N -2.46 0.00 -2.05 4.55 8.25 -0.55 -5.05 115.22 117.91 1k4m n HIS 153 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 1k4m n HIS 153 Cb 0.28 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 1k4m n HIS 153 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1k4m s LEU 154 N -1.89 4.38 0.05 2.41 2.96 -0.69 -0.95 118.68 124.95 1k4m s LEU 154 Ca 0.01 2.56 0.07 0.00 -0.22 0.00 0.00 54.13 56.55 1k4m s LEU 154 Cb 0.02 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.08 1k4m s LEU 154 CO 0.10 -0.69 -0.19 0.28 -1.32 0.00 0.00 176.35 174.52 1k4m s THR 155 N 0.45 1.53 -1.52 3.68 -1.32 -0.42 -4.87 115.64 113.17 1k4m s THR 155 Ca 0.62 -1.21 0.14 0.00 -1.21 0.00 0.00 61.69 60.04 1k4m s THR 155 Cb -0.41 -1.35 0.26 0.00 -1.51 0.00 0.00 72.50 69.49 1k4m s THR 155 CO 0.38 0.11 1.15 1.41 -2.21 0.00 0.00 174.62 175.45 1k4m n HIS 156 N 1.73 0.30 -3.99 9.09 8.25 -1.26 -4.52 115.22 124.82 1k4m n HIS 156 Ca -0.18 -0.25 -0.31 0.00 -0.26 0.00 0.00 57.72 56.73 1k4m n HIS 156 Cb 0.54 -0.01 -0.15 0.00 1.12 0.00 0.00 29.99 31.49 1k4m n HIS 156 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1k4m s ASN 157 N -1.11 4.61 0.43 0.41 3.84 -1.26 -4.97 114.94 116.89 1k4m s ASN 157 Ca 0.24 -2.39 0.25 0.00 0.21 0.00 0.00 52.86 51.17 1k4m s ASN 157 Cb 0.14 -1.60 1.37 0.00 -0.55 0.00 0.00 41.25 40.60 1k4m s ASN 157 CO 0.19 -0.34 1.75 1.55 -2.79 0.00 0.00 177.10 177.46 1k4m h PRO 158 N 7.31 0.00 -0.13 0.43 0.13 -2.00 -0.35 132.00 137.39 1k4m h PRO 158 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1k4m h PRO 158 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1k4m h PRO 158 CO 0.56 0.00 0.08 1.49 -0.23 0.00 0.00 178.00 179.90 1k4m h GLU 159 N 0.00 0.17 -0.85 0.86 4.81 -1.95 -1.94 114.58 115.68 1k4m h GLU 159 Ca 0.00 -0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.42 1k4m h GLU 159 Cb 0.22 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.51 1k4m h GLU 159 CO 0.00 0.11 0.57 -0.44 -0.73 0.00 0.00 179.01 178.53 1k4m h ASP 160 N 0.17 0.28 0.12 1.04 3.45 -1.49 -0.48 116.42 119.52 1k4m h ASP 160 Ca 0.05 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.52 1k4m h ASP 160 Cb -0.01 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 38.73 1k4m h ASP 160 CO -0.01 0.12 -0.07 -0.07 -1.57 0.00 0.00 179.24 177.63 1k4m h LEU 161 N 0.28 0.00 0.00 1.55 3.38 -1.56 -2.24 115.31 116.72 1k4m h LEU 161 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1k4m h LEU 161 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1k4m h LEU 161 CO -0.12 0.07 -1.01 1.41 0.09 0.00 0.00 178.44 178.88 1k4m n HIS 162 N -4.08 0.17 0.86 1.13 8.25 -0.20 -4.35 115.22 117.01 1k4m n HIS 162 Ca -0.03 0.05 0.09 0.00 -0.26 0.00 0.00 57.72 57.58 1k4m n HIS 162 Cb 0.16 -0.34 -0.12 0.00 1.12 0.00 0.00 29.99 30.81 1k4m n HIS 162 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1k4m n LEU 163 N -1.84 0.86 -4.11 2.41 4.77 -0.87 -4.84 117.00 113.38 1k4m n LEU 163 Ca 0.02 -0.46 -0.14 0.00 -0.03 0.00 0.00 56.01 55.40 1k4m n LEU 163 Cb 0.41 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.39 1k4m n LEU 163 CO 0.40 0.22 -0.41 -1.10 -1.33 0.00 0.00 177.39 175.16 1k4m s GLN 164 N -2.90 0.65 0.28 3.23 -0.21 -1.05 -4.94 119.66 114.72 1k4m s GLN 164 Ca 0.06 -0.89 0.14 0.00 0.02 0.00 0.00 55.36 54.69 1k4m s GLN 164 Cb 0.15 -0.43 0.29 0.00 1.00 0.00 0.00 33.01 34.02 1k4m s GLN 164 CO 0.81 0.08 1.55 -1.00 -2.12 0.00 0.00 175.29 174.61 1k4m h PRO 165 N 4.22 0.00 -2.81 2.91 0.13 -1.85 -3.42 132.00 131.18 1k4m h PRO 165 Ca -0.37 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.82 1k4m h PRO 165 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1k4m h PRO 165 CO 0.44 0.58 0.42 0.00 -0.23 0.00 0.00 178.00 179.21 1k4m s ALA 166 N -3.28 -1.10 0.00 -0.56 0.00 -1.26 -1.84 121.76 113.72 1k4m s ALA 166 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1k4m s ALA 166 Cb 0.10 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1k4m s ALA 166 CO 0.74 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1k4m n GLY 167 N -0.62 2.88 3.88 0.00 0.00 -0.77 -4.83 105.19 105.73 1k4m n GLY 167 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1k4m n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k4m s LYS 168 N -0.53 3.20 -0.15 1.61 -0.14 -1.26 -4.82 119.74 117.65 1k4m s LYS 168 Ca 0.00 -0.69 0.00 0.00 -1.36 0.00 0.00 55.97 53.92 1k4m s LYS 168 Cb 0.00 -2.83 -0.01 0.00 -1.68 0.00 0.00 37.83 33.31 1k4m s LYS 168 CO 0.00 0.52 -0.15 0.42 -0.76 0.00 0.00 175.35 175.38 1k4m s ILE 169 N -1.70 2.74 -0.11 2.17 1.01 -0.12 -0.19 121.20 124.99 1k4m s ILE 169 Ca 0.33 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.24 1k4m s ILE 169 Cb -0.11 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.23 1k4m s ILE 169 CO 0.26 0.52 -0.14 -0.47 0.00 0.00 0.00 174.94 175.11 1k4m s TYR 170 N 0.68 1.91 -0.73 3.97 5.04 0.09 -1.30 117.35 127.00 1k4m s TYR 170 Ca -0.07 -0.91 -0.19 0.00 -2.44 0.00 0.00 57.07 53.45 1k4m s TYR 170 Cb -0.16 -1.40 0.11 0.00 0.35 0.00 0.00 41.96 40.87 1k4m s TYR 170 CO 0.02 -0.49 0.90 -0.51 -1.34 0.00 0.00 175.55 174.14 1k4m s LEU 171 N 1.08 5.14 0.59 6.97 1.43 -1.26 -0.79 118.68 131.84 1k4m s LEU 171 Ca -0.05 -1.60 -0.18 0.00 -1.03 0.00 0.00 54.13 51.27 1k4m s LEU 171 Cb -0.15 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 1k4m s LEU 171 CO -0.03 -1.14 1.16 0.00 0.23 0.00 0.00 176.35 176.57 1k4m s ALA 172 N 2.84 2.57 -1.19 4.21 0.00 -0.17 -4.94 121.76 125.09 1k4m s ALA 172 Ca 0.21 0.87 -0.07 0.00 0.00 0.00 0.00 51.96 52.97 1k4m s ALA 172 Cb -0.15 -3.40 0.23 0.00 0.00 0.00 0.00 23.12 19.80 1k4m s ALA 172 CO 0.01 -1.06 1.69 0.39 0.00 0.00 0.00 175.76 176.79 1k4m n GLU 173 N -1.65 4.03 -3.39 0.00 1.02 -1.26 -4.10 120.64 115.29 1k4m n GLU 173 Ca 0.12 -4.01 -0.25 0.00 -0.02 0.00 0.00 57.16 53.00 1k4m n GLU 173 Cb 0.50 -2.73 -0.02 0.00 -0.02 0.00 0.00 31.44 29.18 1k4m n GLU 173 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1k4m s THR 174 N -1.10 5.10 0.56 2.62 -4.23 -1.26 -5.05 115.64 112.27 1k4m s THR 174 Ca 0.36 -0.33 -0.21 0.00 -1.18 0.00 0.00 61.69 60.33 1k4m s THR 174 Cb 0.07 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 1k4m s THR 174 CO 0.05 -0.48 1.34 -2.16 -0.54 0.00 0.00 174.62 172.83 1k4m s PRO 175 N -4.06 3.07 0.12 3.99 0.04 -1.26 -4.60 135.00 132.31 1k4m s PRO 175 Ca 0.41 2.18 -0.11 0.00 0.04 0.00 0.00 61.00 63.52 1k4m s PRO 175 Cb -0.10 -2.19 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 1k4m s PRO 175 CO 0.34 -1.23 0.46 -1.58 0.04 0.00 0.00 177.00 175.04 1k4m s TRP 176 N -1.34 3.56 -0.13 0.56 0.51 -1.26 -4.70 118.94 116.15 1k4m s TRP 176 Ca 0.73 0.86 -0.05 0.00 -2.12 0.00 0.00 56.10 55.52 1k4m s TRP 176 Cb -0.39 -2.22 0.06 0.00 -0.81 0.00 0.00 33.47 30.11 1k4m s TRP 176 CO 0.46 0.45 0.27 -0.06 -0.51 0.00 0.00 176.95 177.56 1k4m s PHE 177 N -1.49 -0.44 -1.44 -1.98 0.40 -1.26 -5.01 117.98 106.75 1k4m s PHE 177 Ca 0.37 0.99 -0.12 0.00 -0.60 0.00 0.00 56.93 57.57 1k4m s PHE 177 Cb -0.14 -0.00 0.05 0.00 0.51 0.00 0.00 43.02 43.44 1k4m s PHE 177 CO 0.19 -0.35 2.26 0.09 0.70 0.00 0.00 175.22 178.12 1k4m n ASN 178 N 5.23 4.82 -3.92 1.36 3.02 -1.26 -4.74 115.26 119.78 1k4m n ASN 178 Ca -0.08 -2.87 -0.15 0.00 -0.03 0.00 0.00 54.58 51.45 1k4m n ASN 178 Cb 0.50 -1.61 -0.14 0.00 -0.61 0.00 0.00 39.78 37.92 1k4m n ASN 178 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1k4m s ILE 179 N 2.43 0.26 0.01 2.41 1.01 -1.26 -5.13 121.20 120.93 1k4m s ILE 179 Ca 0.49 -0.12 -0.09 0.00 0.00 0.00 0.00 60.65 60.92 1k4m s ILE 179 Cb 0.14 -0.24 0.01 0.00 0.01 0.00 0.00 42.46 42.38 1k4m s ILE 179 CO -0.07 0.08 0.19 -0.94 0.00 0.00 0.00 174.94 174.20 1k4m s SER 180 N 0.04 -0.01 0.28 3.58 1.04 -1.26 -4.84 113.70 112.53 1k4m s SER 180 Ca 0.00 -0.21 -0.02 0.00 0.48 0.00 0.00 55.95 56.20 1k4m s SER 180 Cb -0.03 0.25 0.41 0.00 0.10 0.00 0.00 66.02 66.75 1k4m s SER 180 CO -0.00 -0.45 1.88 0.00 0.98 0.00 0.00 173.24 175.65 1k4m h ALA 181 N 3.93 1.28 -0.91 5.32 0.00 -1.88 -2.43 119.26 124.57 1k4m h ALA 181 Ca -0.31 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1k4m h ALA 181 Cb 1.19 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1k4m h ALA 181 CO 0.43 0.55 0.59 1.15 0.00 0.00 0.00 179.25 181.97 1k4m h THR 182 N 0.93 1.19 -0.29 0.00 2.02 -1.96 -0.49 112.91 114.31 1k4m h THR 182 Ca 0.23 -0.41 -0.14 0.00 0.77 0.00 0.00 66.41 66.86 1k4m h THR 182 Cb 0.13 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 1k4m h THR 182 CO -0.03 0.22 -0.38 0.40 0.37 0.00 0.00 175.52 176.09 1k4m h ILE 183 N 1.18 1.29 0.13 3.11 2.04 -1.90 -1.66 117.51 121.70 1k4m h ILE 183 Ca 0.35 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 1k4m h ILE 183 Cb -0.06 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1k4m h ILE 183 CO -0.10 0.50 -0.06 0.40 0.00 0.00 0.00 178.15 178.88 1k4m h ILE 184 N 0.56 0.91 -0.75 -0.67 2.04 -0.88 -0.48 117.51 118.25 1k4m h ILE 184 Ca 0.05 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 65.81 1k4m h ILE 184 Cb 0.91 1.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.95 1k4m h ILE 184 CO 0.08 0.04 0.41 0.03 0.00 0.00 0.00 178.15 178.72 1k4m h ARG 185 N -0.26 0.70 0.40 2.37 3.08 -0.99 0.64 114.38 120.32 1k4m h ARG 185 Ca -0.02 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1k4m h ARG 185 Cb 0.21 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1k4m h ARG 185 CO 0.03 0.46 -0.19 0.93 -1.07 0.00 0.00 179.97 180.13 1k4m h GLU 186 N 0.72 -0.52 -0.19 0.04 5.08 -1.10 -1.53 114.58 117.08 1k4m h GLU 186 Ca 0.35 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.80 1k4m h GLU 186 Cb 0.29 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 1k4m h GLU 186 CO -0.23 -0.33 -0.14 0.00 -1.00 0.00 0.00 179.01 177.31 1k4m h ARG 187 N -0.57 -0.14 -0.81 2.33 3.08 -0.55 0.34 114.38 118.06 1k4m h ARG 187 Ca -0.06 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.07 1k4m h ARG 187 Cb 0.43 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.45 1k4m h ARG 187 CO 0.09 -0.09 0.49 -0.07 -1.07 0.00 0.00 179.97 179.32 1k4m h LEU 188 N -0.15 0.75 -0.88 3.04 3.38 -0.81 0.13 115.31 120.77 1k4m h LEU 188 Ca 0.11 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1k4m h LEU 188 Cb 0.32 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1k4m h LEU 188 CO -0.28 0.47 0.35 -0.61 0.09 0.00 0.00 178.44 178.46 1k4m h GLN 189 N 0.88 1.16 -0.17 1.13 4.15 -0.54 -0.77 115.11 120.95 1k4m h GLN 189 Ca 0.36 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1k4m h GLN 189 Cb 0.20 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1k4m h GLN 189 CO -0.19 0.92 0.00 0.09 -1.93 0.00 0.00 178.83 177.72 1k4m n ASN 190 N -4.29 0.97 -0.83 -0.69 3.02 0.04 -4.89 115.26 108.59 1k4m n ASN 190 Ca 0.07 -1.95 -0.11 0.00 -0.03 0.00 0.00 54.58 52.56 1k4m n ASN 190 Cb 0.16 -0.12 -0.04 0.00 -0.61 0.00 0.00 39.78 39.17 1k4m n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k4m n GLY 191 N 0.81 1.17 3.88 7.41 0.00 -0.21 -5.01 105.19 113.25 1k4m n GLY 191 Ca 0.07 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 1k4m n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k4m s GLU 192 N -2.95 3.76 0.47 1.61 2.02 0.27 -4.98 118.70 118.90 1k4m s GLU 192 Ca 0.00 0.20 -0.24 0.00 0.02 0.00 0.00 54.97 54.95 1k4m s GLU 192 Cb 0.00 -2.66 -0.07 0.00 0.10 0.00 0.00 34.13 31.50 1k4m s GLU 192 CO 0.00 0.31 1.34 0.45 0.02 0.00 0.00 175.26 177.39 1k4m s SER 193 N -2.49 5.80 -0.03 -0.19 0.15 -1.26 -4.13 113.70 111.56 1k4m s SER 193 Ca 0.46 2.73 0.04 0.00 0.70 0.00 0.00 55.95 59.89 1k4m s SER 193 Cb -0.11 -2.64 0.06 0.00 -1.71 0.00 0.00 66.02 61.62 1k4m s SER 193 CO 0.23 -1.20 0.89 0.00 1.20 0.00 0.00 173.24 174.36 1k4m h GLU 195 N 0.00 0.12 -0.64 0.00 4.81 -1.91 -1.06 114.58 115.90 1k4m h GLU 195 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1k4m h GLU 195 Cb 0.90 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1k4m h GLU 195 CO 0.00 0.08 0.00 -0.25 -0.73 0.00 0.00 179.01 178.11 1k4m n ASP 196 N -5.31 4.98 -0.00 1.04 8.00 -1.26 -4.46 116.55 119.54 1k4m n ASP 196 Ca 0.23 -2.54 0.07 0.00 0.71 0.00 0.00 54.79 53.26 1k4m n ASP 196 Cb 0.75 -0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 41.15 1k4m n ASP 196 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1k4m n LEU 197 N 1.04 0.23 -3.66 0.64 4.77 -0.40 -4.99 117.00 114.63 1k4m n LEU 197 Ca 0.26 -0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 1k4m n LEU 197 Cb 0.96 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.03 1k4m n LEU 197 CO 0.26 0.06 0.47 -1.48 -1.33 0.00 0.00 177.39 175.36 1k4m s LEU 198 N -3.53 -0.39 0.25 2.23 2.34 -1.24 -1.61 118.68 116.73 1k4m s LEU 198 Ca -0.02 -0.32 -0.30 0.00 0.06 0.00 0.00 54.13 53.55 1k4m s LEU 198 Cb 0.10 2.61 -0.14 0.00 -0.56 0.00 0.00 46.19 48.19 1k4m s LEU 198 CO 0.59 -1.13 1.21 -2.65 -1.06 0.00 0.00 176.35 173.30 1k4m n PRO 199 N -0.42 1.60 -0.06 1.48 -0.02 -1.26 -4.84 135.00 131.48 1k4m n PRO 199 Ca -0.10 0.57 -0.07 0.00 -2.02 0.00 0.00 63.50 61.88 1k4m n PRO 199 Cb 0.62 -2.08 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 1k4m n PRO 199 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1k4m h GLU 200 N 3.10 -0.04 -0.89 -0.52 4.22 -1.97 -0.88 114.58 117.60 1k4m h GLU 200 Ca -0.43 0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.17 1k4m h GLU 200 Cb 1.31 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.50 1k4m h GLU 200 CO 0.68 -0.03 0.57 -1.35 -2.18 0.00 0.00 179.01 176.71 1k4m h PRO 201 N -0.04 0.62 -0.22 0.92 0.11 -1.92 -0.40 132.00 131.07 1k4m h PRO 201 Ca 0.13 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.04 1k4m h PRO 201 Cb 0.24 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 1k4m h PRO 201 CO -0.29 0.41 -0.53 0.28 -0.21 0.00 0.00 178.00 177.66 1k4m h VAL 202 N 0.64 1.31 -0.66 3.15 2.07 -1.59 -2.04 116.25 119.14 1k4m h VAL 202 Ca 0.45 -1.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.13 1k4m h VAL 202 Cb 0.79 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 1k4m h VAL 202 CO -0.21 0.55 0.07 -0.07 0.02 0.00 0.00 177.57 177.94 1k4m h LEU 203 N 0.50 1.07 -0.21 2.57 3.38 0.16 -1.26 115.31 121.53 1k4m h LEU 203 Ca 0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1k4m h LEU 203 Cb 1.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1k4m h LEU 203 CO 0.11 1.07 0.12 0.74 0.09 0.00 0.00 178.44 180.57 1k4m h THR 204 N 1.03 1.09 -0.62 0.22 2.02 -0.97 -1.45 112.91 114.23 1k4m h THR 204 Ca 0.20 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1k4m h THR 204 Cb 0.48 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1k4m h THR 204 CO 0.02 0.09 0.38 0.22 0.37 0.00 0.00 175.52 176.60 1k4m h TYR 205 N 0.24 0.82 -0.68 3.16 3.20 -1.25 -0.22 116.97 122.25 1k4m h TYR 205 Ca 0.07 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.03 1k4m h TYR 205 Cb 0.04 -0.27 -0.07 0.00 1.54 0.00 0.00 36.73 37.97 1k4m h TYR 205 CO -0.05 0.56 0.33 0.82 -1.64 0.00 0.00 178.16 178.18 1k4m h ILE 206 N 0.85 0.86 -0.23 1.81 2.04 -0.82 0.26 117.51 122.27 1k4m h ILE 206 Ca 0.22 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1k4m h ILE 206 Cb -0.03 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1k4m h ILE 206 CO -0.04 0.11 0.01 0.78 0.00 0.00 0.00 178.15 179.00 1k4m h ASN 207 N 0.58 0.39 -0.74 1.72 2.35 -0.71 -2.06 115.58 117.11 1k4m h ASN 207 Ca 0.33 -0.30 0.07 0.00 -0.55 0.00 0.00 56.30 55.85 1k4m h ASN 207 Cb 0.33 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 1k4m h ASN 207 CO -0.25 0.59 0.48 1.56 -1.65 0.00 0.00 177.43 178.16 1k4m h GLN 208 N 0.18 0.71 -0.00 0.81 4.20 -0.14 -2.16 115.11 118.70 1k4m h GLN 208 Ca 0.07 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1k4m h GLN 208 Cb 0.39 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1k4m h GLN 208 CO 0.01 0.47 -0.31 1.04 -0.67 0.00 0.00 178.83 179.37 1k4m n GLN 209 N -4.49 0.22 -1.07 1.46 1.13 -0.01 -4.92 117.38 109.70 1k4m n GLN 209 Ca 0.11 -0.10 -0.02 0.00 -1.94 0.00 0.00 57.00 55.05 1k4m n GLN 209 Cb 0.26 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.10 1k4m n GLN 209 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1k4m n GLY 210 N 1.45 0.56 3.76 1.08 0.00 -0.81 -4.99 105.19 106.23 1k4m n GLY 210 Ca 0.08 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 1k4m n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k4m s LEU 211 N -0.55 3.97 0.00 0.99 1.43 -0.84 -4.12 118.68 119.56 1k4m s LEU 211 Ca 0.00 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.59 1k4m s LEU 211 Cb 0.00 -4.23 0.00 0.00 0.03 0.00 0.00 46.19 41.99 1k4m s LEU 211 CO 0.00 -1.15 0.00 -1.22 0.23 0.00 0.00 176.35 174.21 1k4m n TYR 212 N -0.64 0.00 0.42 0.29 0.53 -1.26 -4.83 117.16 111.68 1k4m n TYR 212 Ca 0.08 0.00 0.05 0.00 -1.02 0.00 0.00 57.90 57.01 1k4m n TYR 212 Cb 0.47 0.00 0.04 0.00 -1.03 0.00 0.00 39.34 38.82 1k4m n TYR 212 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73