#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 0.43 -2.11 0.03 4.01 -0.09 -5.02 118.16 115.41 1k4m n LYS 2 Ca 0.00 -0.23 -0.42 0.00 -0.51 0.00 0.00 58.31 57.16 1k4m n LYS 2 Cb 0.00 -0.07 -0.03 0.00 -0.51 0.00 0.00 35.03 34.42 1k4m n LYS 2 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1k4m s SER 3 N -1.37 6.77 0.15 4.39 0.15 -1.26 -4.38 113.70 118.14 1k4m s SER 3 Ca 0.06 2.49 -0.32 0.00 0.70 0.00 0.00 55.95 58.89 1k4m s SER 3 Cb -0.00 -2.61 -0.11 0.00 -1.71 0.00 0.00 66.02 61.59 1k4m s SER 3 CO 0.04 -0.64 1.80 -0.11 1.20 0.00 0.00 173.24 175.53 1k4m n LEU 4 N 2.99 4.02 -4.62 3.45 7.94 -1.26 -4.34 117.00 125.18 1k4m n LEU 4 Ca 0.08 1.01 -0.33 0.00 -1.11 0.00 0.00 56.01 55.67 1k4m n LEU 4 Cb 0.41 -1.55 -0.10 0.00 0.53 0.00 0.00 43.42 42.71 1k4m n LEU 4 CO 0.59 0.17 -0.37 -1.10 -1.11 0.00 0.00 177.39 175.58 1k4m s GLN 5 N 2.28 2.66 0.12 1.96 -0.21 -0.25 -4.65 119.66 121.57 1k4m s GLN 5 Ca 0.80 -0.65 0.09 0.00 0.02 0.00 0.00 55.36 55.62 1k4m s GLN 5 Cb -0.49 -2.57 -0.04 0.00 1.00 0.00 0.00 33.01 30.91 1k4m s GLN 5 CO 0.36 0.62 -0.21 0.00 -2.12 0.00 0.00 175.29 173.94 1k4m s ALA 6 N -0.97 1.92 0.02 6.09 0.00 -1.20 -1.45 121.76 126.16 1k4m s ALA 6 Ca 0.16 -1.31 0.06 0.00 0.00 0.00 0.00 51.96 50.88 1k4m s ALA 6 Cb -0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1k4m s ALA 6 CO 0.07 0.37 -0.19 -0.51 0.00 0.00 0.00 175.76 175.49 1k4m s LEU 7 N -2.04 2.11 -0.29 0.00 1.43 0.30 -1.17 118.68 119.02 1k4m s LEU 7 Ca 0.09 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1k4m s LEU 7 Cb -0.09 -0.94 0.09 0.00 0.03 0.00 0.00 46.19 45.27 1k4m s LEU 7 CO 0.05 0.18 0.08 0.12 0.23 0.00 0.00 176.35 177.02 1k4m s PHE 8 N -0.64 1.52 0.19 0.29 5.99 0.59 -0.28 117.98 125.64 1k4m s PHE 8 Ca 0.07 -1.54 -0.00 0.00 0.00 0.00 0.00 56.93 55.46 1k4m s PHE 8 Cb -0.08 -1.54 -0.04 0.00 0.00 0.00 0.00 43.02 41.36 1k4m s PHE 8 CO 0.01 -0.83 0.37 0.20 -0.00 0.00 0.00 175.22 174.97 1k4m s GLY 9 N 1.68 1.82 0.00 13.12 0.00 -1.26 -0.37 107.32 122.31 1k4m s GLY 9 Ca 0.07 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1k4m s GLY 9 CO -0.23 -0.80 0.00 0.61 0.00 0.00 0.00 173.10 172.68 1k4m n GLY 10 N -0.58 -1.49 0.13 0.20 0.00 -0.93 -4.91 105.19 97.61 1k4m n GLY 10 Ca -0.05 -1.04 -0.19 0.00 0.00 0.00 0.00 46.02 44.74 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 0.42 1.54 -3.28 2.61 -1.04 -1.26 -1.39 114.28 111.89 1k4m n THR 11 Ca 0.00 -0.59 -0.07 0.00 -2.04 0.00 0.00 64.05 61.35 1k4m n THR 11 Cb 0.00 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.03 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 -3.30 -2.71 -3.23 -1.42 3.01 -1.26 -4.75 117.46 103.80 1k4m n PHE 12 Ca -0.43 1.05 -0.26 0.00 1.01 0.00 0.00 57.45 58.81 1k4m n PHE 12 Cb 1.00 -3.73 -0.06 0.00 -0.01 0.00 0.00 39.48 36.68 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 -2.03 3.55 -4.97 4.37 2.03 -1.26 -3.22 116.55 115.02 1k4m n ASP 13 Ca -0.09 -3.44 -0.19 0.00 0.52 0.00 0.00 54.79 51.59 1k4m n ASP 13 Cb 0.56 -0.63 0.01 0.00 -0.72 0.00 0.00 41.12 40.34 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 -2.70 2.65 0.48 -0.67 0.04 -1.26 -4.75 135.00 128.78 1k4m s PRO 14 Ca 0.43 -1.41 -0.23 0.00 0.04 0.00 0.00 61.00 59.82 1k4m s PRO 14 Cb 0.21 -2.61 -0.07 0.00 0.04 0.00 0.00 34.50 32.07 1k4m s PRO 14 CO -0.07 -0.35 1.26 0.54 0.04 0.00 0.00 177.00 178.42 1k4m s VAL 15 N -2.45 2.64 0.36 -0.36 0.11 -1.20 -4.71 120.40 114.80 1k4m s VAL 15 Ca 0.53 0.50 -0.08 0.00 -2.93 0.00 0.00 61.98 60.00 1k4m s VAL 15 Cb -0.07 -3.26 0.02 0.00 -1.53 0.00 0.00 36.38 31.54 1k4m s VAL 15 CO 0.32 0.01 0.60 -1.38 -3.33 0.00 0.00 175.10 171.32 1k4m s HIS 16 N -1.41 0.69 0.46 1.54 -3.43 -1.26 -4.81 115.29 107.06 1k4m s HIS 16 Ca 0.66 -1.10 0.12 0.00 -0.80 0.00 0.00 55.06 53.93 1k4m s HIS 16 Cb -0.34 0.29 1.04 0.00 -1.43 0.00 0.00 32.58 32.14 1k4m s HIS 16 CO 0.42 -1.32 2.09 1.88 -2.00 0.00 0.00 174.74 175.81 1k4m h TYR 17 N 2.06 0.30 0.00 0.38 0.99 -1.51 -1.61 116.97 117.58 1k4m h TYR 17 Ca -0.30 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.43 1k4m h TYR 17 Cb 1.24 -0.10 -0.00 0.00 1.00 0.00 0.00 36.73 38.87 1k4m h TYR 17 CO 1.46 0.18 -0.07 0.78 -0.00 0.00 0.00 178.16 180.51 1k4m h GLY 18 N 0.32 0.00 0.00 3.88 0.00 -1.87 -0.13 103.07 105.28 1k4m h GLY 18 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 1k4m h GLY 18 CO -0.02 0.00 -0.49 0.45 0.00 0.00 0.00 176.54 176.48 1k4m h HIS 19 N 0.00 0.00 0.01 5.60 3.86 -1.67 -3.41 115.15 119.53 1k4m h HIS 19 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1k4m h HIS 19 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1k4m h HIS 19 CO 0.00 0.97 -0.00 -0.07 0.86 0.00 0.00 177.93 179.68 1k4m h LEU 20 N -1.00 -0.01 -0.91 2.43 3.38 -1.29 -3.36 115.31 114.55 1k4m h LEU 20 Ca -0.12 -0.80 0.06 0.00 0.09 0.00 0.00 57.88 57.11 1k4m h LEU 20 Cb 0.95 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 1k4m h LEU 20 CO -0.07 0.81 0.58 0.11 0.09 0.00 0.00 178.44 179.95 1k4m h LYS 21 N -0.84 1.04 -0.87 1.13 1.57 -1.28 -0.28 116.57 117.04 1k4m h LYS 21 Ca -0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1k4m h LYS 21 Cb 0.80 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 1k4m h LYS 21 CO 0.00 0.69 0.50 -1.35 -0.57 0.00 0.00 179.45 178.72 1k4m h PRO 22 N 1.07 1.20 -0.10 3.15 0.11 -1.75 -2.04 132.00 133.64 1k4m h PRO 22 Ca 0.39 -0.13 -0.14 0.00 0.11 0.00 0.00 66.00 66.23 1k4m h PRO 22 Cb 0.13 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 1k4m h PRO 22 CO -0.16 0.86 -0.57 0.28 -0.21 0.00 0.00 178.00 178.20 1k4m h VAL 23 N 1.21 1.36 -0.69 3.15 2.07 -1.49 -0.57 116.25 121.28 1k4m h VAL 23 Ca 0.31 -1.89 -0.06 0.00 0.82 0.00 0.00 66.70 65.88 1k4m h VAL 23 Cb -0.01 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1k4m h VAL 23 CO -0.05 0.56 0.20 -0.33 0.02 0.00 0.00 177.57 177.97 1k4m h GLU 24 N 0.24 1.09 -0.05 1.57 5.08 -0.65 -1.92 114.58 119.94 1k4m h GLU 24 Ca -0.00 -0.24 -0.16 0.00 -1.00 0.00 0.00 59.36 57.96 1k4m h GLU 24 Cb 1.07 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1k4m h GLU 24 CO 0.09 0.95 -0.68 1.15 -1.00 0.00 0.00 179.01 179.52 1k4m h THR 25 N 1.02 1.42 -0.97 1.13 2.02 -1.26 -3.04 112.91 113.23 1k4m h THR 25 Ca 0.22 -2.17 0.04 0.00 0.77 0.00 0.00 66.41 65.27 1k4m h THR 25 Cb 0.32 2.14 -0.06 0.00 -1.74 0.00 0.00 68.15 68.81 1k4m h THR 25 CO -0.00 0.64 0.63 0.25 0.37 0.00 0.00 175.52 177.41 1k4m h LEU 26 N 0.15 1.06 -1.74 2.58 5.85 -0.56 -0.19 115.31 122.45 1k4m h LEU 26 Ca -0.02 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1k4m h LEU 26 Cb 1.22 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 1k4m h LEU 26 CO 0.10 0.73 0.26 0.00 -0.34 0.00 0.00 178.44 179.19 1k4m h ALA 27 N 1.40 1.95 0.00 1.25 0.00 -1.24 -1.47 119.26 121.14 1k4m h ALA 27 Ca 0.39 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1k4m h ALA 27 Cb -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1k4m h ALA 27 CO -0.12 -0.01 -0.79 -0.91 0.00 0.00 0.00 179.25 177.42 1k4m h ASN 28 N 0.33 0.00 0.03 0.00 2.35 -1.16 -2.05 115.58 115.09 1k4m h ASN 28 Ca 0.16 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.82 1k4m h ASN 28 Cb 0.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 1k4m h ASN 28 CO -0.04 0.09 -0.48 -0.07 -1.65 0.00 0.00 177.43 175.28 1k4m h LEU 29 N 0.00 0.11 0.00 1.61 3.38 -0.38 -3.41 115.31 116.62 1k4m h LEU 29 Ca -0.02 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.06 1k4m h LEU 29 Cb 1.08 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1k4m h LEU 29 CO 0.01 1.21 -1.18 2.30 0.09 0.00 0.00 178.44 180.86 1k4m n ILE 30 N -4.44 0.00 0.00 1.22 -5.35 -0.63 -5.07 119.36 105.09 1k4m n ILE 30 Ca -0.16 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 1k4m n ILE 30 Cb 0.61 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 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 1.60 0.73 3.02 3.28 0.00 -0.91 -5.00 105.19 107.90 1k4m n GLY 31 Ca -0.01 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 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 1.61 -0.00 0.99 1.02 -0.82 -4.80 118.68 116.68 1k4m s LEU 32 Ca 0.00 -0.33 0.22 0.00 0.02 0.00 0.00 54.13 54.04 1k4m s LEU 32 Cb 0.00 -0.89 -0.25 0.00 0.02 0.00 0.00 46.19 45.08 1k4m s LEU 32 CO 0.00 0.01 0.70 0.35 0.02 0.00 0.00 176.35 177.44 1k4m n THR 33 N 4.03 0.04 -3.73 5.49 -2.24 -1.26 -4.80 114.28 111.81 1k4m n THR 33 Ca -0.21 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.15 1k4m n THR 33 Cb 0.51 0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 68.98 1k4m n THR 33 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1k4m s ARG 34 N -3.30 0.37 -0.15 -0.78 1.81 -1.26 -4.65 118.95 110.99 1k4m s ARG 34 Ca -0.01 0.60 0.00 0.00 -1.72 0.00 0.00 55.73 54.61 1k4m s ARG 34 Cb 0.15 0.07 0.02 0.00 -0.45 0.00 0.00 34.95 34.74 1k4m s ARG 34 CO 0.88 -0.11 -0.14 0.08 -0.68 0.00 0.00 175.30 175.34 1k4m s VAL 35 N 0.79 1.54 -0.27 3.52 1.01 -0.29 -3.27 120.40 123.43 1k4m s VAL 35 Ca -0.05 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.13 1k4m s VAL 35 Cb -0.06 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1k4m s VAL 35 CO -0.06 0.44 0.45 -0.89 0.00 0.00 0.00 175.10 175.04 1k4m s THR 36 N 1.50 5.11 0.10 3.92 2.01 -0.32 -2.52 115.64 125.44 1k4m s THR 36 Ca 0.05 0.69 -0.23 0.00 0.31 0.00 0.00 61.69 62.50 1k4m s THR 36 Cb -0.13 -3.78 -0.07 0.00 0.01 0.00 0.00 72.50 68.53 1k4m s THR 36 CO -0.10 0.09 0.71 -0.63 -0.69 0.00 0.00 174.62 174.00 1k4m s ILE 37 N 2.21 4.59 -0.47 1.82 1.01 0.36 -0.30 121.20 130.41 1k4m s ILE 37 Ca 0.18 1.53 0.03 0.00 0.00 0.00 0.00 60.65 62.40 1k4m s ILE 37 Cb -0.16 -4.06 0.13 0.00 0.01 0.00 0.00 42.46 38.38 1k4m s ILE 37 CO 0.10 0.48 0.22 -0.63 0.00 0.00 0.00 174.94 175.12 1k4m s ILE 38 N -0.79 2.13 0.27 2.92 1.01 0.50 -1.20 121.20 126.04 1k4m s ILE 38 Ca 0.34 -2.91 -0.29 0.00 0.00 0.00 0.00 60.65 57.79 1k4m s ILE 38 Cb -0.21 -2.50 -0.09 0.00 0.01 0.00 0.00 42.46 39.67 1k4m s ILE 38 CO 0.23 -0.80 0.99 -2.16 0.00 0.00 0.00 174.94 173.20 1k4m s PRO 39 N 0.11 4.72 0.52 2.79 0.04 -1.26 -2.20 135.00 139.72 1k4m s PRO 39 Ca 0.16 1.56 0.09 0.00 0.04 0.00 0.00 61.00 62.86 1k4m s PRO 39 Cb -0.24 -3.15 0.06 0.00 0.04 0.00 0.00 34.50 31.21 1k4m s PRO 39 CO -0.02 0.36 0.69 0.54 0.04 0.00 0.00 177.00 178.61 1k4m s ASN 40 N -1.17 5.22 -0.32 6.66 2.20 -0.49 -2.81 114.94 124.24 1k4m s ASN 40 Ca 0.44 -0.75 0.03 0.00 -0.94 0.00 0.00 52.86 51.63 1k4m s ASN 40 Cb -0.27 0.01 0.09 0.00 -2.00 0.00 0.00 41.25 39.09 1k4m s ASN 40 CO 0.33 -1.14 0.04 0.21 -2.94 0.00 0.00 177.10 173.60 1k4m s ASN 41 N -4.53 4.54 -0.07 3.54 2.47 -1.25 -4.71 114.94 114.92 1k4m s ASN 41 Ca 0.58 -1.94 -0.00 0.00 0.42 0.00 0.00 52.86 51.92 1k4m s ASN 41 Cb -0.07 -1.44 0.00 0.00 -1.45 0.00 0.00 41.25 38.29 1k4m s ASN 41 CO 0.36 -0.37 0.00 0.55 -3.72 0.00 0.00 177.10 173.92 1k4m n VAL 42 N 4.41 -4.36 -1.77 -5.21 3.14 -1.26 -4.84 118.33 108.44 1k4m n VAL 42 Ca 0.01 0.82 -0.31 0.00 -2.96 0.00 0.00 64.34 61.90 1k4m n VAL 42 Cb 0.42 -3.91 0.04 0.00 -1.06 0.00 0.00 33.84 29.32 1k4m n VAL 42 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1k4m s PRO 43 N -1.12 3.09 0.25 1.45 0.02 -1.26 -4.80 135.00 132.62 1k4m s PRO 43 Ca -0.00 0.71 0.13 0.00 0.02 0.00 0.00 61.00 61.86 1k4m s PRO 43 Cb 0.00 -2.03 0.06 0.00 0.02 0.00 0.00 34.50 32.56 1k4m s PRO 43 CO 0.19 -0.93 1.44 -1.35 -0.33 0.00 0.00 177.00 176.01 1k4m h PRO 44 N -0.58 0.00 0.00 5.54 0.11 -1.93 -3.33 132.00 131.80 1k4m h PRO 44 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1k4m h PRO 44 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1k4m h PRO 44 CO 0.61 0.60 0.00 -2.39 -0.21 0.00 0.00 178.00 176.61 1k4m n HIS 45 N -3.29 0.00 -3.69 0.65 1.44 -1.26 -4.87 115.22 104.20 1k4m n HIS 45 Ca 0.01 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.62 1k4m n HIS 45 Cb 0.76 -0.07 -0.05 0.00 0.12 0.00 0.00 29.99 30.75 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 -2.13 0.99 1.42 -1.40 1.70 -1.25 -5.17 118.95 113.11 1k4m s ARG 46 Ca 0.41 -0.72 -0.23 0.00 -0.47 0.00 0.00 55.73 54.72 1k4m s ARG 46 Cb 0.20 0.43 0.37 0.00 -0.57 0.00 0.00 34.95 35.38 1k4m s ARG 46 CO 0.37 -0.37 0.93 -1.25 -1.08 0.00 0.00 175.30 173.90 1k4m s PRO 47 N -3.64 -2.94 0.43 3.89 0.04 -1.26 -4.62 135.00 126.90 1k4m s PRO 47 Ca 0.02 0.16 -0.26 0.00 0.04 0.00 0.00 61.00 60.96 1k4m s PRO 47 Cb 0.02 -1.37 -0.09 0.00 0.04 0.00 0.00 34.50 33.10 1k4m s PRO 47 CO -0.11 -4.89 1.45 -0.65 0.04 0.00 0.00 177.00 172.85 1k4m s GLN 48 N -5.06 3.81 0.36 4.56 -1.52 -1.26 -4.77 119.66 115.78 1k4m s GLN 48 Ca 0.69 2.47 -0.25 0.00 -1.95 0.00 0.00 55.36 56.32 1k4m s GLN 48 Cb -0.13 -2.75 -0.10 0.00 -0.22 0.00 0.00 33.01 29.81 1k4m s GLN 48 CO 0.58 -0.73 1.00 -2.14 -0.25 0.00 0.00 175.29 173.74 1k4m s PRO 49 N -2.34 4.37 -0.02 2.91 0.02 -1.26 -4.98 135.00 133.70 1k4m s PRO 49 Ca 0.58 1.42 -0.24 0.00 0.02 0.00 0.00 61.00 62.78 1k4m s PRO 49 Cb -0.45 -2.66 -0.18 0.00 0.02 0.00 0.00 34.50 31.24 1k4m s PRO 49 CO 0.58 0.07 1.13 0.93 -0.33 0.00 0.00 177.00 179.38 1k4m h GLU 50 N 2.80 -0.20 -6.80 5.54 5.08 -1.93 -3.42 114.58 115.65 1k4m h GLU 50 Ca -0.48 0.01 -0.51 0.00 -1.00 0.00 0.00 59.36 57.39 1k4m h GLU 50 Cb 1.20 0.05 0.02 0.00 0.50 0.00 0.00 28.75 30.52 1k4m h GLU 50 CO 0.64 0.21 0.50 0.00 -1.00 0.00 0.00 179.01 179.36 1k4m s ALA 51 N -4.26 3.42 1.04 3.43 0.00 -1.26 -5.02 121.76 119.10 1k4m s ALA 51 Ca -0.14 0.94 -0.16 0.00 0.00 0.00 0.00 51.96 52.60 1k4m s ALA 51 Cb 0.01 -3.35 0.22 0.00 0.00 0.00 0.00 23.12 20.00 1k4m s ALA 51 CO 0.57 -0.23 1.20 0.27 0.00 0.00 0.00 175.76 177.56 1k4m n ASN 52 N 1.24 -0.24 -0.29 0.00 2.04 -1.26 -4.70 115.26 112.06 1k4m n ASN 52 Ca -0.01 -1.39 0.01 0.00 -0.44 0.00 0.00 54.58 52.75 1k4m n ASN 52 Cb 0.44 -0.94 0.21 0.00 -2.53 0.00 0.00 39.78 36.97 1k4m n ASN 52 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 1k4m h SER 53 N -1.77 0.95 -0.55 0.53 4.64 -1.94 -1.29 113.55 114.12 1k4m h SER 53 Ca -0.40 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 60.82 1k4m h SER 53 Cb 1.10 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 1k4m h SER 53 CO 0.28 0.66 -0.02 0.58 -0.87 0.00 0.00 176.83 177.46 1k4m h VAL 54 N 1.10 1.27 -0.03 0.95 2.07 -1.96 -1.70 116.25 117.95 1k4m h VAL 54 Ca 0.34 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1k4m h VAL 54 Cb 0.00 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1k4m h VAL 54 CO -0.10 0.41 -0.02 1.56 0.02 0.00 0.00 177.57 179.44 1k4m h GLN 55 N 0.86 0.06 -0.39 1.57 4.20 -1.82 -1.10 115.11 118.49 1k4m h GLN 55 Ca 0.15 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1k4m h GLN 55 Cb 0.56 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1k4m h GLN 55 CO 0.03 0.51 0.13 0.00 -0.67 0.00 0.00 178.83 178.83 1k4m h ARG 56 N -0.38 0.55 -0.16 1.46 3.08 -1.27 0.30 114.38 117.96 1k4m h ARG 56 Ca 0.00 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1k4m h ARG 56 Cb 0.49 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1k4m h ARG 56 CO 0.01 0.48 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.16 1k4m h LYS 57 N 0.55 0.29 -0.26 0.04 3.64 -1.30 -1.21 116.57 118.32 1k4m h LYS 57 Ca 0.13 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1k4m h LYS 57 Cb 0.15 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1k4m h LYS 57 CO -0.01 0.53 0.12 1.25 -2.27 0.00 0.00 179.45 179.07 1k4m h HIS 58 N 0.02 0.22 -0.64 1.91 2.76 -0.18 0.01 115.15 119.27 1k4m h HIS 58 Ca 0.04 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1k4m h HIS 58 Cb 0.40 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.27 1k4m h HIS 58 CO 0.04 0.12 0.41 0.52 -1.30 0.00 0.00 177.93 177.72 1k4m h MET 59 N 0.26 0.84 -0.34 5.26 2.86 -0.36 -0.47 114.93 122.98 1k4m h MET 59 Ca 0.11 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 1k4m h MET 59 Cb 0.04 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 1k4m h MET 59 CO -0.08 0.57 -0.29 -0.07 1.06 0.00 0.00 176.91 178.09 1k4m h LEU 60 N 0.87 0.85 -1.02 1.22 3.38 -0.66 -0.67 115.31 119.28 1k4m h LEU 60 Ca 0.23 -0.45 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1k4m h LEU 60 Cb -0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1k4m h LEU 60 CO -0.05 1.13 0.05 -0.33 0.09 0.00 0.00 178.44 179.33 1k4m h GLU 61 N 0.59 0.76 -0.47 1.13 5.08 -0.37 -1.00 114.58 120.28 1k4m h GLU 61 Ca 0.06 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1k4m h GLU 61 Cb 0.87 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1k4m h GLU 61 CO 0.08 0.73 0.05 -0.07 -1.00 0.00 0.00 179.01 178.79 1k4m h LEU 62 N 0.72 0.78 -1.45 1.33 3.38 -0.90 -0.39 115.31 118.77 1k4m h LEU 62 Ca 0.15 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1k4m h LEU 62 Cb 0.37 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1k4m h LEU 62 CO 0.01 0.86 -0.26 0.00 0.09 0.00 0.00 178.44 179.14 1k4m h ALA 63 N 0.94 1.27 -0.01 1.53 0.00 -0.55 -3.21 119.26 119.23 1k4m h ALA 63 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1k4m h ALA 63 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1k4m h ALA 63 CO 0.02 0.32 -0.10 0.44 0.00 0.00 0.00 179.25 179.93 1k4m n ILE 64 N -3.79 0.00 -0.35 0.00 -5.35 -0.43 -4.60 119.36 104.84 1k4m n ILE 64 Ca -0.01 -0.45 0.23 0.00 -0.27 0.00 0.00 62.75 62.25 1k4m n ILE 64 Cb 0.36 1.21 0.48 0.00 -1.74 0.00 0.00 39.64 39.95 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 2.32 2.06 -0.02 -1.28 0.00 -1.07 0.23 119.26 121.50 1k4m h ALA 65 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1k4m h ALA 65 Cb 0.48 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1k4m h ALA 65 CO 0.00 -0.60 -0.08 -0.40 0.00 0.00 0.00 179.25 178.17 1k4m n ASP 66 N -4.87 2.19 -3.96 0.00 5.75 -1.26 -4.74 116.55 109.66 1k4m n ASP 66 Ca 0.30 -1.67 -0.30 0.00 -0.01 0.00 0.00 54.79 53.10 1k4m n ASP 66 Cb 0.95 0.07 -0.11 0.00 -1.03 0.00 0.00 41.12 40.99 1k4m n ASP 66 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1k4m s LYS 67 N -2.10 2.51 0.65 0.11 1.02 0.81 -4.95 119.74 117.79 1k4m s LYS 67 Ca 0.30 -3.15 0.23 0.00 0.02 0.00 0.00 55.97 53.37 1k4m s LYS 67 Cb 0.20 -3.51 1.22 0.00 -0.52 0.00 0.00 37.83 35.22 1k4m s LYS 67 CO 0.36 -1.24 1.69 -1.35 -0.92 0.00 0.00 175.35 173.89 1k4m h PRO 68 N 5.81 0.00 -0.57 -1.68 0.11 -1.85 -0.16 132.00 133.66 1k4m h PRO 68 Ca 0.09 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.22 1k4m h PRO 68 Cb 0.80 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 1k4m h PRO 68 CO 0.73 0.00 0.37 1.25 -0.21 0.00 0.00 178.00 180.15 1k4m h LEU 69 N 0.00 0.63 -9.92 2.35 5.85 -1.92 -3.44 115.31 108.86 1k4m h LEU 69 Ca 0.04 -0.01 -0.56 0.00 0.84 0.00 0.00 57.88 58.19 1k4m h LEU 69 Cb 1.11 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 1k4m h LEU 69 CO -0.00 0.45 -0.16 -0.36 -0.34 0.00 0.00 178.44 178.03 1k4m s PHE 70 N -5.64 3.50 0.15 1.25 0.40 -0.07 -1.14 117.98 116.43 1k4m s PHE 70 Ca -0.09 0.85 -0.12 0.00 -0.60 0.00 0.00 56.93 56.97 1k4m s PHE 70 Cb 0.18 -2.23 0.01 0.00 0.51 0.00 0.00 43.02 41.49 1k4m s PHE 70 CO 0.75 0.37 0.34 -0.08 0.70 0.00 0.00 175.22 177.30 1k4m s THR 71 N -1.65 0.07 0.15 0.64 -1.32 -1.05 -4.96 115.64 107.52 1k4m s THR 71 Ca 0.42 -1.05 0.08 0.00 -1.21 0.00 0.00 61.69 59.93 1k4m s THR 71 Cb -0.13 -1.55 -0.04 0.00 -1.51 0.00 0.00 72.50 69.27 1k4m s THR 71 CO 0.21 -0.33 -0.08 -0.76 -2.21 0.00 0.00 174.62 171.45 1k4m s LEU 72 N -2.89 3.06 -0.19 9.08 1.43 -1.26 -0.49 118.68 127.42 1k4m s LEU 72 Ca 0.10 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1k4m s LEU 72 Cb 0.02 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.49 1k4m s LEU 72 CO -0.05 0.13 -0.08 -0.62 0.23 0.00 0.00 176.35 175.96 1k4m s ASP 73 N -2.58 3.19 -0.13 2.29 3.68 -0.34 -4.87 116.67 117.90 1k4m s ASP 73 Ca 0.24 -0.81 0.13 0.00 2.13 0.00 0.00 52.55 54.24 1k4m s ASP 73 Cb -0.10 -1.11 0.61 0.00 -1.45 0.00 0.00 42.92 40.87 1k4m s ASP 73 CO 0.15 -0.16 1.47 -0.62 0.13 0.00 0.00 175.17 176.14 1k4m n GLU 74 N 4.76 3.57 -0.30 4.34 1.02 -1.26 -4.10 120.64 128.66 1k4m n GLU 74 Ca -0.14 -2.37 0.07 0.00 -0.02 0.00 0.00 57.16 54.70 1k4m n GLU 74 Cb 0.47 -1.91 0.22 0.00 -0.02 0.00 0.00 31.44 30.20 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 3.24 0.63 0.01 3.49 0.11 -1.95 0.27 114.38 120.18 1k4m h ARG 75 Ca 0.00 -0.04 -0.25 0.00 0.10 0.00 0.00 59.98 59.79 1k4m h ARG 75 Cb 1.40 -0.14 -0.04 0.00 1.11 0.00 0.00 29.97 32.30 1k4m h ARG 75 CO 0.27 0.42 -1.35 0.93 0.10 0.00 0.00 179.97 180.34 1k4m h GLU 76 N 0.65 0.02 0.17 0.08 5.08 -1.80 -3.33 114.58 115.44 1k4m h GLU 76 Ca 0.46 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1k4m h GLU 76 Cb 0.64 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1k4m h GLU 76 CO -0.35 0.78 -0.13 1.25 -1.00 0.00 0.00 179.01 179.56 1k4m h LEU 77 N 0.00 -0.35 -0.04 1.33 7.12 -1.01 -2.93 115.31 119.45 1k4m h LEU 77 Ca -0.15 0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.89 1k4m h LEU 77 Cb 1.90 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 42.14 1k4m h LEU 77 CO 0.11 -0.21 -0.00 0.29 -0.13 0.00 0.00 178.44 178.50 1k4m n LYS 78 N -5.25 0.96 -3.44 1.25 5.02 -0.05 -4.64 118.16 112.01 1k4m n LYS 78 Ca -0.08 -0.04 -0.39 0.00 -2.02 0.00 0.00 58.31 55.78 1k4m n LYS 78 Cb 0.17 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.59 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 -2.06 3.97 0.19 1.97 3.52 -1.11 -4.97 118.95 120.46 1k4m s ARG 79 Ca 0.46 -0.08 -0.09 0.00 -0.13 0.00 0.00 55.73 55.89 1k4m s ARG 79 Cb 0.22 -3.67 0.09 0.00 -1.56 0.00 0.00 34.95 30.03 1k4m s ARG 79 CO 0.38 -0.28 1.68 -0.91 -0.81 0.00 0.00 175.30 175.37 1k4m h ASN 80 N 8.24 1.05 -4.01 -2.12 -0.26 -1.85 -3.45 115.58 113.18 1k4m h ASN 80 Ca -0.32 -0.26 -0.49 0.00 -0.56 0.00 0.00 56.30 54.67 1k4m h ASN 80 Cb 1.17 -0.28 0.17 0.00 -1.06 0.00 0.00 38.32 38.31 1k4m h ASN 80 CO 0.63 1.05 0.21 0.00 -1.06 0.00 0.00 177.43 178.26 1k4m s ALA 81 N -5.20 1.28 0.49 -0.83 0.00 -1.26 -4.99 121.76 111.25 1k4m s ALA 81 Ca -0.12 0.10 -0.23 0.00 0.00 0.00 0.00 51.96 51.71 1k4m s ALA 81 Cb 0.14 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.93 1k4m s ALA 81 CO 0.85 -2.62 1.32 -2.14 0.00 0.00 0.00 175.76 173.17 1k4m s PRO 82 N -4.79 3.51 0.14 0.00 0.02 -1.26 -4.96 135.00 127.65 1k4m s PRO 82 Ca 0.65 2.17 0.10 0.00 0.02 0.00 0.00 61.00 63.94 1k4m s PRO 82 Cb -0.20 -2.45 -0.04 0.00 0.02 0.00 0.00 34.50 31.83 1k4m s PRO 82 CO 0.58 -0.87 -0.24 -1.12 -0.33 0.00 0.00 177.00 175.02 1k4m s SER 83 N -0.91 3.11 -0.04 2.53 0.01 -1.26 -5.13 113.70 112.00 1k4m s SER 83 Ca 0.65 -0.76 0.03 0.00 1.31 0.00 0.00 55.95 57.18 1k4m s SER 83 Cb -0.38 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.65 1k4m s SER 83 CO 0.47 0.13 -0.12 -0.31 0.41 0.00 0.00 173.24 173.82 1k4m s TYR 84 N -1.26 1.27 0.22 2.43 1.51 -1.26 -4.78 117.35 115.48 1k4m s TYR 84 Ca 0.13 -0.37 -0.08 0.00 -1.01 0.00 0.00 57.07 55.74 1k4m s TYR 84 Cb -0.09 -0.90 0.31 0.00 -0.11 0.00 0.00 41.96 41.16 1k4m s TYR 84 CO 0.06 -0.16 1.79 1.15 -1.11 0.00 0.00 175.55 177.28 1k4m h THR 85 N 5.53 0.89 -0.73 -0.71 2.02 -1.99 -1.19 112.91 116.73 1k4m h THR 85 Ca -0.33 -0.22 0.14 0.00 0.77 0.00 0.00 66.41 66.77 1k4m h THR 85 Cb 1.17 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 1k4m h THR 85 CO 0.48 0.12 0.49 0.00 0.37 0.00 0.00 175.52 176.97 1k4m h ALA 86 N 1.40 2.07 0.13 6.16 0.00 -1.90 0.21 119.26 127.34 1k4m h ALA 86 Ca 0.33 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.94 1k4m h ALA 86 Cb 0.31 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.06 1k4m h ALA 86 CO -0.24 -0.26 -1.27 0.37 0.00 0.00 0.00 179.25 177.84 1k4m h GLN 87 N 0.44 0.63 -0.78 0.00 5.75 -1.60 -1.99 115.11 117.56 1k4m h GLN 87 Ca 0.35 -0.85 -0.03 0.00 -0.15 0.00 0.00 58.65 57.97 1k4m h GLN 87 Cb 0.77 0.29 -0.04 0.00 1.07 0.00 0.00 27.48 29.57 1k4m h GLN 87 CO -0.11 1.39 0.38 1.15 -2.65 0.00 0.00 178.83 178.99 1k4m h THR 88 N 0.27 1.25 -0.06 2.39 2.02 -0.40 -1.02 112.91 117.36 1k4m h THR 88 Ca -0.20 -0.69 -0.15 0.00 0.77 0.00 0.00 66.41 66.15 1k4m h THR 88 Cb 1.95 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1k4m h THR 88 CO 0.24 0.29 -0.61 -0.07 0.37 0.00 0.00 175.52 175.74 1k4m h LEU 89 N 1.10 0.24 -0.40 2.58 3.38 -0.67 -0.56 115.31 120.99 1k4m h LEU 89 Ca 0.27 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1k4m h LEU 89 Cb 0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1k4m h LEU 89 CO -0.03 0.80 0.13 0.50 0.09 0.00 0.00 178.44 179.93 1k4m h LYS 90 N 0.16 0.61 -0.69 1.13 3.64 -0.95 -0.95 116.57 119.52 1k4m h LYS 90 Ca -0.01 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 1k4m h LYS 90 Cb 1.12 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 1k4m h LYS 90 CO 0.09 0.60 0.25 0.93 -2.27 0.00 0.00 179.45 179.05 1k4m h GLU 91 N 0.49 1.05 -0.66 1.90 5.08 -0.96 -1.77 114.58 119.71 1k4m h GLU 91 Ca 0.13 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1k4m h GLU 91 Cb 0.24 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1k4m h GLU 91 CO -0.01 0.89 0.39 -1.49 -1.00 0.00 0.00 179.01 177.79 1k4m h TRP 92 N 1.00 0.88 -0.53 4.33 4.06 -0.80 -0.33 115.95 124.55 1k4m h TRP 92 Ca 0.23 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.15 1k4m h TRP 92 Cb 0.25 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.10 1k4m h TRP 92 CO 0.02 0.61 0.25 -0.09 -3.56 0.00 0.00 178.44 175.67 1k4m h ARG 93 N 0.90 0.76 -0.40 0.49 9.65 -0.89 -0.06 114.38 124.84 1k4m h ARG 93 Ca 0.24 -0.11 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 1k4m h ARG 93 Cb -0.01 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.42 1k4m h ARG 93 CO -0.04 0.63 0.21 1.96 2.80 0.00 0.00 179.97 185.52 1k4m h GLN 94 N 0.70 0.56 -0.28 0.20 4.20 -0.91 -1.09 115.11 118.49 1k4m h GLN 94 Ca 0.18 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 1k4m h GLN 94 Cb 0.12 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1k4m h GLN 94 CO -0.02 0.46 0.04 0.93 -0.67 0.00 0.00 178.83 179.57 1k4m h GLU 95 N 0.51 0.48 0.00 1.46 5.08 -0.77 -3.26 114.58 118.07 1k4m h GLU 95 Ca 0.14 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1k4m h GLU 95 Cb 0.07 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1k4m h GLU 95 CO -0.02 0.60 -0.68 1.96 -1.00 0.00 0.00 179.01 179.87 1k4m h GLN 96 N 0.29 0.00 0.00 2.33 1.08 -0.99 -3.50 115.11 114.32 1k4m h GLN 96 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1k4m h GLN 96 Cb 0.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1k4m h GLN 96 CO 0.01 0.68 0.00 0.41 -0.95 0.00 0.00 178.83 178.98 1k4m n GLY 97 N 0.99 1.44 0.06 3.46 0.00 -0.42 -4.64 105.19 106.08 1k4m n GLY 97 Ca 0.01 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.14 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 1.85 0.13 -0.25 1.61 -0.04 -1.26 -3.76 135.00 133.28 1k4m n PRO 98 Ca 0.00 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 1k4m n PRO 98 Cb 0.00 -1.68 0.25 0.00 -0.04 0.00 0.00 33.50 32.02 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 -1.92 3.61 -4.54 3.54 10.43 -1.26 -4.71 116.55 121.70 1k4m n ASP 99 Ca 0.05 -1.99 -0.40 0.00 2.57 0.00 0.00 54.79 55.02 1k4m n ASP 99 Cb 0.32 -0.33 -0.10 0.00 1.84 0.00 0.00 41.12 42.85 1k4m n ASP 99 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1k4m s VAL 100 N -1.30 5.24 0.20 2.53 1.01 -1.25 -0.91 120.40 125.93 1k4m s VAL 100 Ca 0.41 -0.07 -0.31 0.00 0.00 0.00 0.00 61.98 62.02 1k4m s VAL 100 Cb 0.23 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.77 1k4m s VAL 100 CO 0.32 -0.02 1.47 -2.84 0.00 0.00 0.00 175.10 174.03 1k4m s PRO 101 N 1.84 4.26 -0.05 2.72 0.02 -1.26 -4.78 135.00 137.76 1k4m s PRO 101 Ca 0.08 2.28 0.02 0.00 0.02 0.00 0.00 61.00 63.41 1k4m s PRO 101 Cb -0.17 -3.14 0.01 0.00 0.02 0.00 0.00 34.50 31.22 1k4m s PRO 101 CO 0.11 -0.47 -0.11 -1.17 -0.33 0.00 0.00 177.00 175.03 1k4m s LEU 102 N 0.30 1.68 -0.02 -5.54 2.96 -0.75 -1.09 118.68 116.23 1k4m s LEU 102 Ca 0.63 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 54.33 1k4m s LEU 102 Cb -0.42 -0.71 -0.01 0.00 0.50 0.00 0.00 46.19 45.55 1k4m s LEU 102 CO 0.38 0.05 -0.13 0.00 -1.32 0.00 0.00 176.35 175.32 1k4m s ALA 103 N 0.46 1.12 -0.23 5.97 0.00 -0.53 0.22 121.76 128.78 1k4m s ALA 103 Ca -0.09 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 1k4m s ALA 103 Cb -0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 1k4m s ALA 103 CO 0.02 0.26 0.01 0.12 0.00 0.00 0.00 175.76 176.17 1k4m s PHE 104 N -0.22 3.02 -0.06 0.00 5.36 -0.00 -0.54 117.98 125.53 1k4m s PHE 104 Ca 0.03 -0.65 -0.17 0.00 -0.96 0.00 0.00 56.93 55.19 1k4m s PHE 104 Cb -0.06 -2.15 -0.05 0.00 -0.34 0.00 0.00 43.02 40.42 1k4m s PHE 104 CO -0.00 -0.42 0.45 0.42 -1.46 0.00 0.00 175.22 174.20 1k4m s ILE 105 N 1.45 5.10 0.17 3.12 1.01 0.61 -1.59 121.20 131.06 1k4m s ILE 105 Ca 0.05 0.91 -0.04 0.00 0.00 0.00 0.00 60.65 61.57 1k4m s ILE 105 Cb -0.15 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1k4m s ILE 105 CO 0.00 0.44 0.17 0.27 0.00 0.00 0.00 174.94 175.82 1k4m s ILE 106 N -0.14 0.06 0.44 2.92 -4.36 -0.26 -4.21 121.20 115.65 1k4m s ILE 106 Ca 0.25 -1.76 -0.01 0.00 -0.26 0.00 0.00 60.65 58.87 1k4m s ILE 106 Cb -0.16 -2.11 -0.01 0.00 1.25 0.00 0.00 42.46 41.42 1k4m s ILE 106 CO 0.12 -0.27 0.68 -0.83 0.24 0.00 0.00 174.94 174.87 1k4m s GLY 107 N -3.05 1.50 0.35 6.27 0.00 -1.26 -0.42 107.32 110.71 1k4m s GLY 107 Ca 0.26 -0.91 0.08 0.00 0.00 0.00 0.00 44.72 44.15 1k4m s GLY 107 CO 0.04 -0.76 1.87 -1.61 0.00 0.00 0.00 173.10 172.65 1k4m h GLN 108 N 0.41 0.71 -0.11 2.90 5.75 -1.21 -0.13 115.11 123.42 1k4m h GLN 108 Ca -0.47 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 57.94 1k4m h GLN 108 Cb 1.24 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 1k4m h GLN 108 CO 0.59 0.47 -0.14 0.38 -2.65 0.00 0.00 178.83 177.48 1k4m h ASP 109 N 0.73 0.17 0.79 -0.69 2.03 -1.94 -2.12 116.42 115.39 1k4m h ASP 109 Ca 0.44 -0.03 -0.20 0.00 -0.73 0.00 0.00 57.03 56.51 1k4m h ASP 109 Cb 0.66 -0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 39.09 1k4m h ASP 109 CO -0.20 0.33 -0.93 0.28 -1.03 0.00 0.00 179.24 177.69 1k4m h SER 110 N 0.17 0.11 -0.28 4.15 0.02 -1.42 -3.23 113.55 113.06 1k4m h SER 110 Ca 0.03 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1k4m h SER 110 Cb 0.36 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1k4m h SER 110 CO 0.02 0.97 0.15 0.25 -1.14 0.00 0.00 176.83 177.09 1k4m h LEU 111 N 0.03 0.23 -2.06 5.07 5.85 -0.72 -1.28 115.31 122.44 1k4m h LEU 111 Ca -0.03 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.80 1k4m h LEU 111 Cb 1.61 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 1k4m h LEU 111 CO 0.13 0.17 0.28 -0.07 -0.34 0.00 0.00 178.44 178.61 1k4m h LEU 112 N 0.31 0.00 -1.44 2.25 4.07 -1.47 -0.35 115.31 118.68 1k4m h LEU 112 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1k4m h LEU 112 Cb 0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1k4m h LEU 112 CO -0.07 0.00 -0.23 0.35 -1.08 0.00 0.00 178.44 177.41 1k4m n THR 113 N -4.18 0.00 -0.35 0.22 -2.24 -0.90 -4.63 114.28 102.20 1k4m n THR 113 Ca 0.05 -0.37 0.13 0.00 -2.27 0.00 0.00 64.05 61.59 1k4m n THR 113 Cb 0.45 1.33 0.32 0.00 -2.10 0.00 0.00 70.33 70.33 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 3.51 1.04 0.00 4.78 3.57 0.11 -1.57 116.94 128.39 1k4m h PHE 114 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1k4m h PHE 114 Cb 0.86 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1k4m h PHE 114 CO 0.00 0.22 0.00 -2.30 -2.23 0.00 0.00 178.31 174.00 1k4m n PRO 115 N -4.78 0.08 -0.10 6.41 -0.02 -1.26 -1.82 135.00 133.50 1k4m n PRO 115 Ca 0.23 0.26 0.11 0.00 -2.02 0.00 0.00 63.50 62.08 1k4m n PRO 115 Cb 0.57 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.70 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 -1.33 0.28 -2.41 3.45 -2.24 -0.59 -4.91 114.28 106.54 1k4m n THR 116 Ca 0.03 -0.64 -0.33 0.00 -2.27 0.00 0.00 64.05 60.84 1k4m n THR 116 Cb 0.06 1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 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 -1.62 3.14 -0.07 4.78 0.52 -0.76 -4.95 118.94 119.99 1k4m s TRP 117 Ca 0.32 1.54 -0.35 0.00 0.02 0.00 0.00 56.10 57.63 1k4m s TRP 117 Cb 0.20 -2.95 -0.13 0.00 -1.15 0.00 0.00 33.47 29.44 1k4m s TRP 117 CO 0.29 -0.70 1.81 0.98 0.02 0.00 0.00 176.95 179.35 1k4m n TYR 118 N -1.37 2.27 -4.32 -1.98 9.36 -1.26 -2.17 117.16 117.68 1k4m n TYR 118 Ca 0.08 0.11 -0.33 0.00 3.32 0.00 0.00 57.90 61.09 1k4m n TYR 118 Cb 0.53 -2.62 -0.09 0.00 -0.63 0.00 0.00 39.34 36.54 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 5.95 -1.15 -0.05 2.98 1.02 -1.26 -4.46 120.64 123.67 1k4m n GLU 119 Ca 0.22 0.13 0.14 0.00 -0.02 0.00 0.00 57.16 57.63 1k4m n GLU 119 Cb 0.27 -3.88 0.56 0.00 -0.02 0.00 0.00 31.44 28.37 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 -1.64 0.30 0.00 -0.32 -0.00 -1.74 -1.53 116.97 112.04 1k4m h TYR 120 Ca -0.65 0.01 -0.01 0.00 0.00 0.00 0.00 58.73 58.09 1k4m h TYR 120 Cb 1.40 -0.10 -0.00 0.00 0.00 0.00 0.00 36.73 38.03 1k4m h TYR 120 CO 0.55 0.14 -0.03 0.93 -0.00 0.00 0.00 178.16 179.75 1k4m h GLU 121 N 0.28 0.00 0.00 0.10 5.08 -1.88 -1.42 114.58 116.74 1k4m h GLU 121 Ca 0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1k4m h GLU 121 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1k4m h GLU 121 CO -0.06 0.03 -0.03 1.79 -1.00 0.00 0.00 179.01 179.74 1k4m h THR 122 N 0.00 0.06 -0.49 1.13 1.35 -1.64 -3.34 112.91 109.99 1k4m h THR 122 Ca -0.00 -0.95 0.04 0.00 -0.55 0.00 0.00 66.41 64.95 1k4m h THR 122 Cb 0.12 1.89 -0.04 0.00 -1.73 0.00 0.00 68.15 68.39 1k4m h THR 122 CO 0.00 0.03 0.25 0.40 -0.25 0.00 0.00 175.52 175.96 1k4m h ILE 123 N 0.00 0.97 0.00 6.82 2.04 -1.37 -1.46 117.51 124.50 1k4m h ILE 123 Ca -0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1k4m h ILE 123 Cb 0.89 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1k4m h ILE 123 CO 0.00 0.09 0.00 0.18 0.00 0.00 0.00 178.15 178.42 1k4m n LEU 124 N -4.89 0.00 0.06 1.44 4.77 -1.25 -0.63 117.00 116.50 1k4m n LEU 124 Ca 0.04 0.47 -0.07 0.00 -0.03 0.00 0.00 56.01 56.42 1k4m n LEU 124 Cb 0.12 -0.47 -0.12 0.00 -2.33 0.00 0.00 43.42 40.63 1k4m n LEU 124 CO 0.29 -0.18 0.12 0.44 -1.33 0.00 0.00 177.39 176.74 1k4m h ASP 125 N 0.00 0.00 0.13 -1.43 3.32 -1.45 -1.79 116.42 115.20 1k4m h ASP 125 Ca 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 1k4m h ASP 125 Cb 0.30 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.78 1k4m h ASP 125 CO 0.00 0.98 -2.19 0.59 -1.72 0.00 0.00 179.24 176.90 1k4m n ASN 126 N -3.33 0.22 -3.32 6.45 3.02 -0.58 -4.78 115.26 112.94 1k4m n ASN 126 Ca -0.01 0.10 -0.13 0.00 -0.03 0.00 0.00 54.58 54.52 1k4m n ASN 126 Cb 0.94 0.77 -0.03 0.00 -0.61 0.00 0.00 39.78 40.85 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 -2.56 0.37 0.44 5.41 0.00 0.20 -4.77 121.76 120.85 1k4m s ALA 127 Ca -0.09 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.60 1k4m s ALA 127 Cb 0.07 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.25 1k4m s ALA 127 CO 0.83 -0.83 0.65 -1.01 0.00 0.00 0.00 175.76 175.40 1k4m s HIS 128 N -3.09 3.15 -0.18 0.00 3.76 0.13 -2.29 115.29 116.77 1k4m s HIS 128 Ca 0.27 0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.29 1k4m s HIS 128 Cb -0.01 -2.32 0.01 0.00 1.11 0.00 0.00 32.58 31.37 1k4m s HIS 128 CO 0.17 -0.37 -0.17 -0.51 -0.85 0.00 0.00 174.74 173.02 1k4m s LEU 129 N -4.51 2.31 -0.22 0.89 1.02 0.23 -0.82 118.68 117.58 1k4m s LEU 129 Ca 0.49 -0.58 -0.06 0.00 0.02 0.00 0.00 54.13 54.00 1k4m s LEU 129 Cb -0.10 -1.54 -0.02 0.00 0.02 0.00 0.00 46.19 44.55 1k4m s LEU 129 CO 0.37 0.01 0.02 -0.63 0.02 0.00 0.00 176.35 176.13 1k4m s ILE 130 N 1.26 4.00 -0.19 -0.59 1.01 -0.62 -0.83 121.20 125.25 1k4m s ILE 130 Ca 0.04 -0.29 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 1k4m s ILE 130 Cb -0.14 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 1k4m s ILE 130 CO -0.09 0.40 0.02 -0.69 0.00 0.00 0.00 174.94 174.57 1k4m s VAL 131 N 1.25 4.25 -0.11 2.92 1.01 -0.22 -1.10 120.40 128.40 1k4m s VAL 131 Ca 0.04 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 1k4m s VAL 131 Cb -0.15 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 1k4m s VAL 131 CO 0.02 0.45 0.30 0.00 0.00 0.00 0.00 175.10 175.87 1k4m s ARG 133 N -0.25 2.43 -0.08 0.00 0.52 -1.26 -0.71 118.95 119.60 1k4m s ARG 133 Ca 0.19 1.99 -0.04 0.00 -0.52 0.00 0.00 55.73 57.35 1k4m s ARG 133 Cb -0.14 -1.84 0.04 0.00 0.52 0.00 0.00 34.95 33.53 1k4m s ARG 133 CO 0.07 -1.67 0.18 0.50 0.02 0.00 0.00 175.30 174.40 1k4m s ARG 134 N -3.51 0.12 0.28 3.54 3.52 -1.26 -4.73 118.95 116.91 1k4m s ARG 134 Ca 0.80 0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 56.56 1k4m s ARG 134 Cb -0.35 -0.17 -0.11 0.00 -1.56 0.00 0.00 34.95 32.76 1k4m s ARG 134 CO 0.41 -0.19 1.60 -1.25 -0.81 0.00 0.00 175.30 175.06 1k4m s PRO 135 N 1.39 4.13 0.00 5.12 0.04 -1.26 -3.41 135.00 141.01 1k4m s PRO 135 Ca -0.07 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1k4m s PRO 135 Cb -0.11 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1k4m s PRO 135 CO -0.07 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.74 1k4m n GLY 136 N 2.44 2.65 3.77 0.56 0.00 -1.26 -5.04 105.19 108.31 1k4m n GLY 136 Ca 0.09 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.28 2.85 0.65 1.61 1.51 -1.22 -4.98 117.35 116.49 1k4m s TYR 137 Ca 0.00 1.35 -0.18 0.00 -1.01 0.00 0.00 57.07 57.23 1k4m s TYR 137 Cb 0.00 -3.77 -0.02 0.00 -0.11 0.00 0.00 41.96 38.06 1k4m s TYR 137 CO 0.00 -2.24 1.15 -2.30 -1.11 0.00 0.00 175.55 171.04 1k4m n PRO 138 N 0.50 0.94 0.04 -1.71 -0.02 -1.26 -4.94 135.00 128.56 1k4m n PRO 138 Ca 0.01 0.37 0.09 0.00 -2.02 0.00 0.00 63.50 61.96 1k4m n PRO 138 Cb 0.42 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.44 1k4m n PRO 138 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1k4m n LEU 139 N -1.56 0.50 -4.84 2.45 4.32 -1.26 -4.92 117.00 111.68 1k4m n LEU 139 Ca 0.15 0.20 -0.33 0.00 -0.02 0.00 0.00 56.01 56.01 1k4m n LEU 139 Cb 0.48 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.23 1k4m n LEU 139 CO 0.48 -0.05 -0.20 -1.61 -1.22 0.00 0.00 177.39 174.78 1k4m s GLU 140 N -3.33 3.25 0.59 3.23 2.02 -1.26 -5.08 118.70 118.11 1k4m s GLU 140 Ca -0.04 -0.41 -0.19 0.00 0.02 0.00 0.00 54.97 54.34 1k4m s GLU 140 Cb 0.11 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.33 1k4m s GLU 140 CO 0.84 0.66 1.27 -1.64 0.02 0.00 0.00 175.26 176.40 1k4m s MET 141 N -1.87 2.93 0.14 1.61 -1.94 -1.26 -4.93 119.30 113.98 1k4m s MET 141 Ca 0.25 1.99 -0.18 0.00 -1.71 0.00 0.00 55.69 56.05 1k4m s MET 141 Cb -0.12 -2.01 0.01 0.00 2.01 0.00 0.00 34.83 34.72 1k4m s MET 141 CO 0.17 -1.29 1.76 0.00 -0.01 0.00 0.00 175.02 175.65 1k4m h ALA 142 N 0.98 0.34 -2.75 3.03 0.00 -1.96 -3.43 119.26 115.47 1k4m h ALA 142 Ca -0.51 0.02 -0.67 0.00 0.00 0.00 0.00 54.91 53.76 1k4m h ALA 142 Cb 1.31 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 1k4m h ALA 142 CO 0.55 -0.28 -0.50 -0.65 0.00 0.00 0.00 179.25 178.37 1k4m s GLN 143 N -6.17 3.37 0.30 0.00 -0.21 -1.26 -5.01 119.66 110.68 1k4m s GLN 143 Ca -0.13 -0.18 0.02 0.00 0.02 0.00 0.00 55.36 55.09 1k4m s GLN 143 Cb 0.11 -3.13 0.57 0.00 1.00 0.00 0.00 33.01 31.55 1k4m s GLN 143 CO 0.70 0.77 1.89 -1.35 -2.12 0.00 0.00 175.29 175.18 1k4m h PRO 144 N 4.99 0.96 0.00 2.91 0.11 -1.99 -0.69 132.00 138.28 1k4m h PRO 144 Ca -0.54 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.50 1k4m h PRO 144 Cb 1.22 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1k4m h PRO 144 CO 0.58 0.63 -0.05 -0.56 -0.21 0.00 0.00 178.00 178.39 1k4m h GLN 145 N 0.98 0.00 0.00 1.05 3.07 -1.97 0.49 115.11 118.73 1k4m h GLN 145 Ca 0.42 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 59.02 1k4m h GLN 145 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.85 1k4m h GLN 145 CO -0.18 0.05 -1.17 1.88 0.09 0.00 0.00 178.83 179.50 1k4m h TYR 146 N 0.00 0.00 -0.12 0.06 0.99 -1.57 -2.66 116.97 113.67 1k4m h TYR 146 Ca -0.00 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.60 1k4m h TYR 146 Cb 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.81 1k4m h TYR 146 CO 0.00 0.50 -0.50 0.37 -0.00 0.00 0.00 178.16 178.53 1k4m h GLN 147 N 0.00 0.32 -0.29 4.88 5.75 -0.39 -0.26 115.11 125.12 1k4m h GLN 147 Ca -0.11 -0.18 -0.09 0.00 -0.15 0.00 0.00 58.65 58.11 1k4m h GLN 147 Cb 1.48 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.03 1k4m h GLN 147 CO 0.04 0.75 -0.18 0.37 -2.65 0.00 0.00 178.83 177.16 1k4m h GLN 148 N 0.25 0.64 -0.95 1.69 5.75 -0.95 0.16 115.11 121.69 1k4m h GLN 148 Ca 0.01 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.21 1k4m h GLN 148 Cb 0.97 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.46 1k4m h GLN 148 CO 0.08 0.89 0.57 2.35 -2.65 0.00 0.00 178.83 180.07 1k4m h TRP 149 N 0.38 1.26 0.05 3.99 7.01 -1.18 0.15 115.95 127.61 1k4m h TRP 149 Ca 0.06 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.05 1k4m h TRP 149 Cb 0.72 -0.41 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 1k4m h TRP 149 CO 0.06 0.83 -0.03 1.25 -2.79 0.00 0.00 178.44 177.77 1k4m h LEU 150 N 1.31 -0.06 -1.42 0.65 5.85 -0.73 -2.96 115.31 117.96 1k4m h LEU 150 Ca 0.34 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1k4m h LEU 150 Cb -0.06 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1k4m h LEU 150 CO -0.06 0.17 0.34 -0.33 -0.34 0.00 0.00 178.44 178.22 1k4m h GLU 151 N -0.29 0.73 0.00 1.25 5.08 -0.23 -1.19 114.58 119.93 1k4m h GLU 151 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1k4m h GLU 151 Cb 0.26 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1k4m h GLU 151 CO 0.01 0.51 0.00 -0.44 -1.00 0.00 0.00 179.01 178.09 1k4m h ASP 152 N 0.75 0.00 0.00 1.42 3.32 -0.58 -3.14 116.42 118.19 1k4m h ASP 152 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1k4m h ASP 152 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1k4m h ASP 152 CO -0.04 0.00 -0.51 1.41 -1.72 0.00 0.00 179.24 178.38 1k4m n HIS 153 N -2.77 0.00 -1.84 4.55 8.25 -0.72 -5.04 115.22 117.66 1k4m n HIS 153 Ca 0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.10 1k4m n HIS 153 Cb 0.27 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.42 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 -2.52 3.63 -0.01 2.41 2.96 -0.53 -1.41 118.68 123.21 1k4m s LEU 154 Ca 0.03 2.56 -0.02 0.00 -0.22 0.00 0.00 54.13 56.48 1k4m s LEU 154 Cb 0.07 -4.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.18 1k4m s LEU 154 CO 0.40 -1.83 0.05 0.28 -1.32 0.00 0.00 176.35 173.93 1k4m s THR 155 N -1.45 0.04 -2.34 3.68 -1.32 -0.79 -4.79 115.64 108.68 1k4m s THR 155 Ca 0.80 -0.34 0.19 0.00 -1.21 0.00 0.00 61.69 61.13 1k4m s THR 155 Cb -0.36 -0.19 0.14 0.00 -1.51 0.00 0.00 72.50 70.58 1k4m s THR 155 CO 0.38 -0.19 1.09 1.41 -2.21 0.00 0.00 174.62 175.11 1k4m n HIS 156 N 2.42 0.00 -3.77 9.09 8.25 -1.26 -4.55 115.22 125.39 1k4m n HIS 156 Ca -0.17 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.93 1k4m n HIS 156 Cb 0.58 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.58 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 -1.64 5.21 0.50 0.41 2.47 -1.26 -4.94 114.94 115.69 1k4m s ASN 157 Ca 0.22 -2.28 0.24 0.00 0.42 0.00 0.00 52.86 51.46 1k4m s ASN 157 Cb 0.16 -1.82 1.32 0.00 -1.45 0.00 0.00 41.25 39.45 1k4m s ASN 157 CO 0.26 -0.48 1.71 1.55 -3.72 0.00 0.00 177.10 176.41 1k4m h PRO 158 N 7.72 0.00 -0.05 0.43 0.13 -2.01 0.35 132.00 138.57 1k4m h PRO 158 Ca -0.10 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.05 1k4m h PRO 158 Cb 1.02 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 1k4m h PRO 158 CO 0.70 0.00 0.04 1.49 -0.23 0.00 0.00 178.00 180.00 1k4m h GLU 159 N 0.00 0.00 -0.38 0.86 4.81 -1.94 -0.77 114.58 117.15 1k4m h GLU 159 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1k4m h GLU 159 Cb 0.51 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1k4m h GLU 159 CO 0.00 0.00 0.27 -0.44 -0.73 0.00 0.00 179.01 178.11 1k4m h ASP 160 N 0.00 0.13 0.32 1.04 3.45 -1.35 -1.18 116.42 118.83 1k4m h ASP 160 Ca 0.02 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 1k4m h ASP 160 Cb 0.11 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 38.85 1k4m h ASP 160 CO -0.00 0.08 -0.07 -0.07 -1.57 0.00 0.00 179.24 177.62 1k4m h LEU 161 N 0.15 0.00 0.00 1.55 3.38 -1.33 -2.28 115.31 116.78 1k4m h LEU 161 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1k4m h LEU 161 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1k4m h LEU 161 CO -0.02 0.07 -1.36 1.41 0.09 0.00 0.00 178.44 178.62 1k4m n HIS 162 N -3.51 0.32 0.70 1.13 8.25 -0.46 -4.43 115.22 117.23 1k4m n HIS 162 Ca -0.02 0.09 0.10 0.00 -0.26 0.00 0.00 57.72 57.64 1k4m n HIS 162 Cb 0.19 -0.55 -0.10 0.00 1.12 0.00 0.00 29.99 30.65 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 -2.20 0.69 -4.30 2.41 4.77 -0.88 -4.87 117.00 112.63 1k4m n LEU 163 Ca -0.00 -0.30 -0.20 0.00 -0.03 0.00 0.00 56.01 55.48 1k4m n LEU 163 Cb 0.50 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.46 1k4m n LEU 163 CO 0.42 0.16 -0.47 -1.10 -1.33 0.00 0.00 177.39 175.08 1k4m s GLN 164 N -3.15 1.18 0.21 3.23 -0.21 -1.08 -4.97 119.66 114.87 1k4m s GLN 164 Ca 0.04 -1.35 0.03 0.00 0.02 0.00 0.00 55.36 54.09 1k4m s GLN 164 Cb 0.15 -1.14 0.16 0.00 1.00 0.00 0.00 33.01 33.19 1k4m s GLN 164 CO 0.86 0.22 1.50 -1.35 -2.12 0.00 0.00 175.29 174.41 1k4m h PRO 165 N 3.31 0.26 0.00 2.91 0.11 -1.86 -3.42 132.00 133.31 1k4m h PRO 165 Ca -0.41 -0.20 0.02 0.00 0.11 0.00 0.00 66.00 65.52 1k4m h PRO 165 Cb 1.20 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1k4m h PRO 165 CO 0.52 0.84 0.21 0.00 -0.21 0.00 0.00 178.00 179.36 1k4m n ALA 166 N -2.47 -1.16 0.00 -0.75 0.00 -1.26 -1.82 120.51 113.05 1k4m n ALA 166 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1k4m n ALA 166 Cb 0.67 0.49 0.00 0.00 0.00 0.00 0.00 19.45 20.61 1k4m n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k4m n GLY 167 N -0.33 1.58 3.84 0.00 0.00 -0.67 -4.84 105.19 104.77 1k4m n GLY 167 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.88 3.07 -0.18 1.61 -0.14 -1.26 -4.85 119.74 117.11 1k4m s LYS 168 Ca 0.00 -0.79 -0.01 0.00 -1.36 0.00 0.00 55.97 53.81 1k4m s LYS 168 Cb 0.00 -2.74 0.00 0.00 -1.68 0.00 0.00 37.83 33.41 1k4m s LYS 168 CO 0.00 0.49 -0.13 0.42 -0.76 0.00 0.00 175.35 175.37 1k4m s ILE 169 N -1.76 2.75 -0.14 2.17 1.01 -0.50 -0.60 121.20 124.12 1k4m s ILE 169 Ca 0.32 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1k4m s ILE 169 Cb -0.10 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.20 1k4m s ILE 169 CO 0.25 0.50 -0.16 -0.47 0.00 0.00 0.00 174.94 175.06 1k4m s TYR 170 N 1.06 2.27 -0.74 3.97 5.04 -0.01 -1.88 117.35 127.06 1k4m s TYR 170 Ca -0.00 -1.24 -0.22 0.00 -2.44 0.00 0.00 57.07 53.17 1k4m s TYR 170 Cb -0.15 -1.63 0.08 0.00 0.35 0.00 0.00 41.96 40.61 1k4m s TYR 170 CO -0.03 -0.65 1.06 -0.51 -1.34 0.00 0.00 175.55 174.08 1k4m s LEU 171 N 1.29 4.32 0.40 6.97 1.43 -1.26 -1.06 118.68 130.77 1k4m s LEU 171 Ca 0.02 -1.16 -0.25 0.00 -1.03 0.00 0.00 54.13 51.71 1k4m s LEU 171 Cb -0.13 -2.44 -0.09 0.00 0.03 0.00 0.00 46.19 43.56 1k4m s LEU 171 CO -0.08 -1.42 1.10 0.00 0.23 0.00 0.00 176.35 176.18 1k4m s ALA 172 N 4.05 3.12 -1.26 4.21 0.00 -0.21 -4.96 121.76 126.71 1k4m s ALA 172 Ca 0.27 0.83 -0.13 0.00 0.00 0.00 0.00 51.96 52.93 1k4m s ALA 172 Cb -0.13 -3.32 0.15 0.00 0.00 0.00 0.00 23.12 19.82 1k4m s ALA 172 CO 0.06 -0.36 1.66 0.39 0.00 0.00 0.00 175.76 177.50 1k4m n GLU 173 N 0.02 3.39 -3.71 0.00 1.02 -1.26 -4.03 120.64 116.06 1k4m n GLU 173 Ca 0.05 -3.60 -0.21 0.00 -0.02 0.00 0.00 57.16 53.38 1k4m n GLU 173 Cb 0.48 -3.08 -0.01 0.00 -0.02 0.00 0.00 31.44 28.81 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 1.66 4.87 0.61 2.62 -4.23 -1.26 -5.03 115.64 114.88 1k4m s THR 174 Ca 0.44 -0.90 -0.18 0.00 -1.18 0.00 0.00 61.69 59.86 1k4m s THR 174 Cb 0.03 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 1k4m s THR 174 CO 0.01 -0.31 1.23 -2.16 -0.54 0.00 0.00 174.62 172.84 1k4m s PRO 175 N -4.10 2.85 0.04 3.99 0.04 -1.26 -4.63 135.00 131.92 1k4m s PRO 175 Ca 0.38 1.87 -0.13 0.00 0.04 0.00 0.00 61.00 63.17 1k4m s PRO 175 Cb -0.09 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 1k4m s PRO 175 CO 0.31 -1.32 0.42 -1.58 0.04 0.00 0.00 177.00 174.87 1k4m s TRP 176 N -1.57 3.66 -0.10 0.56 0.51 -1.26 -4.70 118.94 116.03 1k4m s TRP 176 Ca 0.78 0.92 -0.03 0.00 -2.12 0.00 0.00 56.10 55.65 1k4m s TRP 176 Cb -0.32 -2.24 0.05 0.00 -0.81 0.00 0.00 33.47 30.15 1k4m s TRP 176 CO 0.35 0.58 0.14 -0.06 -0.51 0.00 0.00 176.95 177.45 1k4m s PHE 177 N -1.24 -0.10 -1.48 -1.98 0.40 -1.26 -5.01 117.98 107.32 1k4m s PHE 177 Ca 0.29 0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 56.86 1k4m s PHE 177 Cb -0.15 -0.37 0.03 0.00 0.51 0.00 0.00 43.02 43.03 1k4m s PHE 177 CO 0.16 -0.34 2.37 0.09 0.70 0.00 0.00 175.22 178.20 1k4m n ASN 178 N 5.31 5.20 -3.91 1.36 3.02 -1.26 -4.75 115.26 120.24 1k4m n ASN 178 Ca -0.05 -2.81 -0.14 0.00 -0.03 0.00 0.00 54.58 51.55 1k4m n ASN 178 Cb 0.50 -1.61 -0.14 0.00 -0.61 0.00 0.00 39.78 37.91 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 2.58 0.18 0.04 2.41 1.01 -1.26 -5.12 121.20 121.04 1k4m s ILE 179 Ca 0.52 -0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.96 1k4m s ILE 179 Cb 0.15 -0.17 -0.00 0.00 0.01 0.00 0.00 42.46 42.45 1k4m s ILE 179 CO -0.07 0.03 0.15 -0.94 0.00 0.00 0.00 174.94 174.11 1k4m s SER 180 N -0.10 0.11 0.46 3.58 1.04 -1.26 -4.79 113.70 112.74 1k4m s SER 180 Ca 0.00 -0.46 0.13 0.00 0.48 0.00 0.00 55.95 56.10 1k4m s SER 180 Cb -0.01 0.26 1.07 0.00 0.10 0.00 0.00 66.02 67.44 1k4m s SER 180 CO -0.00 -0.54 2.08 0.00 0.98 0.00 0.00 173.24 175.75 1k4m h ALA 181 N 3.52 1.82 -0.08 5.32 0.00 -1.87 -2.51 119.26 125.46 1k4m h ALA 181 Ca -0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1k4m h ALA 181 Cb 1.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1k4m h ALA 181 CO 0.50 0.14 0.02 1.15 0.00 0.00 0.00 179.25 181.06 1k4m h THR 182 N 0.18 1.21 -0.67 0.00 2.02 -1.96 -0.31 112.91 113.38 1k4m h THR 182 Ca 0.05 -0.64 0.07 0.00 0.77 0.00 0.00 66.41 66.66 1k4m h THR 182 Cb 0.07 1.48 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 1k4m h THR 182 CO -0.00 0.18 0.35 0.40 0.37 0.00 0.00 175.52 176.82 1k4m h ILE 183 N -0.09 0.90 -0.22 3.11 2.04 -1.92 -0.46 117.51 120.87 1k4m h ILE 183 Ca 0.03 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1k4m h ILE 183 Cb 0.27 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1k4m h ILE 183 CO 0.00 0.11 0.14 0.40 0.00 0.00 0.00 178.15 178.81 1k4m h ILE 184 N 0.62 1.06 -0.52 -0.67 2.04 -1.05 0.47 117.51 119.47 1k4m h ILE 184 Ca 0.32 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 66.06 1k4m h ILE 184 Cb 0.27 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1k4m h ILE 184 CO -0.22 0.06 0.30 0.03 0.00 0.00 0.00 178.15 178.31 1k4m h ARG 185 N 0.29 0.71 -0.74 2.37 3.08 -0.62 -1.92 114.38 117.55 1k4m h ARG 185 Ca 0.08 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1k4m h ARG 185 Cb -0.03 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 1k4m h ARG 185 CO -0.02 0.53 0.21 0.93 -1.07 0.00 0.00 179.97 180.56 1k4m h GLU 186 N 0.69 1.16 -0.62 0.04 5.08 -0.81 -1.13 114.58 118.99 1k4m h GLU 186 Ca 0.18 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1k4m h GLU 186 Cb 0.02 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1k4m h GLU 186 CO -0.03 1.00 0.04 0.00 -1.00 0.00 0.00 179.01 179.01 1k4m h ARG 187 N 1.11 1.07 -0.89 2.33 3.08 -0.77 -1.08 114.38 119.23 1k4m h ARG 187 Ca 0.24 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1k4m h ARG 187 Cb 0.34 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1k4m h ARG 187 CO -0.00 1.03 0.53 -0.07 -1.07 0.00 0.00 179.97 180.39 1k4m h LEU 188 N 0.98 1.07 -0.59 3.04 3.38 -1.03 0.18 115.31 122.33 1k4m h LEU 188 Ca 0.18 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1k4m h LEU 188 Cb 0.52 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1k4m h LEU 188 CO 0.02 0.83 0.20 -0.61 0.09 0.00 0.00 178.44 178.97 1k4m h GLN 189 N 1.23 0.91 -0.21 1.13 5.75 -0.69 -1.60 115.11 121.63 1k4m h GLN 189 Ca 0.32 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1k4m h GLN 189 Cb -0.05 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.37 1k4m h GLN 189 CO -0.06 0.80 0.00 0.09 -2.65 0.00 0.00 178.83 177.01 1k4m n ASN 190 N -4.43 0.76 -3.44 -0.69 3.02 -0.46 -4.88 115.26 105.15 1k4m n ASN 190 Ca 0.03 -2.02 -0.25 0.00 -0.03 0.00 0.00 54.58 52.32 1k4m n ASN 190 Cb 0.19 -0.13 0.03 0.00 -0.61 0.00 0.00 39.78 39.27 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 0.63 -0.52 3.82 7.41 0.00 -0.35 -4.98 105.19 111.21 1k4m n GLY 191 Ca 0.04 0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -6.13 3.22 0.30 1.61 2.02 0.49 -5.01 118.70 115.19 1k4m s GLU 192 Ca 0.48 -0.38 -0.29 0.00 0.02 0.00 0.00 54.97 54.80 1k4m s GLU 192 Cb -0.23 -2.97 -0.12 0.00 0.10 0.00 0.00 34.13 30.91 1k4m s GLU 192 CO 0.59 0.68 1.40 0.45 0.02 0.00 0.00 175.26 178.40 1k4m n SER 193 N 1.35 3.04 -0.32 -0.19 2.88 -1.26 -4.27 113.62 114.83 1k4m n SER 193 Ca -0.14 1.18 0.07 0.00 -1.33 0.00 0.00 58.87 58.65 1k4m n SER 193 Cb 0.53 -1.49 0.14 0.00 -0.75 0.00 0.00 64.21 62.64 1k4m n SER 193 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k4m s GLU 195 N -2.29 3.29 0.00 0.00 2.12 -1.26 -1.68 118.70 118.88 1k4m s GLU 195 Ca 0.27 2.16 0.00 0.00 0.36 0.00 0.00 54.97 57.76 1k4m s GLU 195 Cb 0.22 -2.31 0.00 0.00 0.26 0.00 0.00 34.13 32.30 1k4m s GLU 195 CO 0.05 -1.04 0.00 -0.25 -0.54 0.00 0.00 175.26 173.48 1k4m n ASP 196 N -0.87 0.00 -0.01 -1.70 8.00 -1.26 -4.83 116.55 115.88 1k4m n ASP 196 Ca 0.09 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.62 1k4m n ASP 196 Cb 0.45 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.43 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 0.00 0.00 -3.91 0.64 4.77 -0.68 -4.97 117.00 112.86 1k4m n LEU 197 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1k4m n LEU 197 Cb 0.00 0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1k4m n LEU 197 CO 0.00 0.04 0.32 -1.48 -1.33 0.00 0.00 177.39 174.93 1k4m s LEU 198 N -3.82 0.04 0.41 2.23 2.34 -1.25 -1.18 118.68 117.46 1k4m s LEU 198 Ca -0.04 -0.74 -0.26 0.00 0.06 0.00 0.00 54.13 53.15 1k4m s LEU 198 Cb 0.05 2.23 -0.09 0.00 -0.56 0.00 0.00 46.19 47.82 1k4m s LEU 198 CO 0.37 -1.22 1.40 -2.84 -1.06 0.00 0.00 176.35 173.01 1k4m s PRO 199 N -3.96 3.89 0.22 1.48 0.02 -1.26 -4.85 135.00 130.54 1k4m s PRO 199 Ca 0.16 2.38 -0.07 0.00 0.02 0.00 0.00 61.00 63.49 1k4m s PRO 199 Cb -0.03 -2.78 0.30 0.00 0.02 0.00 0.00 34.50 32.01 1k4m s PRO 199 CO 0.07 -0.63 1.81 1.49 -0.33 0.00 0.00 177.00 179.40 1k4m h GLU 200 N 2.64 0.70 0.00 5.54 4.22 -1.99 -0.26 114.58 125.43 1k4m h GLU 200 Ca -0.50 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 58.88 1k4m h GLU 200 Cb 1.25 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1k4m h GLU 200 CO 0.62 0.46 -0.07 -1.00 -2.18 0.00 0.00 179.01 176.85 1k4m h PRO 201 N 0.72 0.00 -0.07 0.92 0.13 -1.93 0.77 132.00 132.54 1k4m h PRO 201 Ca 0.34 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.37 1k4m h PRO 201 Cb 0.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.39 1k4m h PRO 201 CO -0.21 0.07 -0.31 0.28 -0.23 0.00 0.00 178.00 177.60 1k4m h VAL 202 N 0.00 1.42 -0.79 1.56 2.07 -1.43 -1.98 116.25 117.10 1k4m h VAL 202 Ca -0.00 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 65.81 1k4m h VAL 202 Cb 0.16 2.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 1k4m h VAL 202 CO 0.01 0.49 0.46 -0.07 0.02 0.00 0.00 177.57 178.48 1k4m h LEU 203 N -0.14 0.96 0.12 2.57 3.38 -0.61 -0.54 115.31 121.06 1k4m h LEU 203 Ca -0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1k4m h LEU 203 Cb 0.96 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1k4m h LEU 203 CO 0.07 0.76 -0.07 0.74 0.09 0.00 0.00 178.44 180.02 1k4m h THR 204 N 1.09 0.85 -0.54 0.22 2.02 -0.88 -1.64 112.91 114.03 1k4m h THR 204 Ca 0.28 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.53 1k4m h THR 204 Cb -0.01 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.19 1k4m h THR 204 CO -0.05 0.00 0.23 0.22 0.37 0.00 0.00 175.52 176.29 1k4m h TYR 205 N -0.18 0.40 -0.40 3.16 3.20 -0.98 0.57 116.97 122.74 1k4m h TYR 205 Ca -0.01 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.96 1k4m h TYR 205 Cb 0.15 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.25 1k4m h TYR 205 CO -0.08 0.15 -0.04 0.82 -1.64 0.00 0.00 178.16 177.37 1k4m h ILE 206 N 0.43 0.65 -0.41 1.81 2.04 -0.80 0.36 117.51 121.59 1k4m h ILE 206 Ca 0.26 -0.02 -0.14 0.00 1.00 0.00 0.00 64.86 65.96 1k4m h ILE 206 Cb 0.25 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1k4m h ILE 206 CO -0.23 0.01 -0.29 0.78 0.00 0.00 0.00 178.15 178.41 1k4m h ASN 207 N 0.06 0.97 -0.98 1.72 2.35 -0.47 0.31 115.58 119.54 1k4m h ASN 207 Ca 0.20 -0.43 0.06 0.00 -0.55 0.00 0.00 56.30 55.57 1k4m h ASN 207 Cb 0.29 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.32 1k4m h ASN 207 CO -0.36 1.20 0.64 1.56 -1.65 0.00 0.00 177.43 178.81 1k4m h GLN 208 N 0.76 1.12 0.00 0.81 4.20 -0.35 -1.31 115.11 120.33 1k4m h GLN 208 Ca 0.08 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1k4m h GLN 208 Cb 0.88 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1k4m h GLN 208 CO 0.08 0.74 -0.17 1.04 -0.67 0.00 0.00 178.83 179.85 1k4m n GLN 209 N -4.49 0.14 -1.05 1.46 1.13 0.07 -4.92 117.38 109.72 1k4m n GLN 209 Ca 0.15 0.09 -0.02 0.00 -1.94 0.00 0.00 57.00 55.28 1k4m n GLN 209 Cb 0.18 -1.64 -0.01 0.00 0.11 0.00 0.00 30.24 28.88 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 1.41 0.49 3.71 1.08 0.00 -0.03 -4.99 105.19 106.86 1k4m n GLY 210 Ca 0.06 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1k4m n GLY 210 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k4m n LEU 211 N -0.20 5.63 -1.44 0.99 4.77 -0.44 -3.57 117.00 122.73 1k4m n LEU 211 Ca -0.02 0.82 -0.18 0.00 -0.03 0.00 0.00 56.01 56.59 1k4m n LEU 211 Cb 0.17 -1.53 -0.08 0.00 -2.33 0.00 0.00 43.42 39.66 1k4m n LEU 211 CO 0.03 -1.17 -0.18 -1.22 -1.33 0.00 0.00 177.39 173.52 1k4m n TYR 212 N -1.93 -0.03 -0.94 -1.77 0.53 -1.26 -4.81 117.16 106.94 1k4m n TYR 212 Ca 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.04 1k4m n TYR 212 Cb 0.48 -3.15 0.00 0.00 -1.03 0.00 0.00 39.34 35.64 1k4m n TYR 212 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38