#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 -0.15 -2.08 2.12 4.76 0.09 -5.00 118.16 117.89 1k4m n LYS 2 Ca 0.00 -0.51 -0.42 0.00 -2.87 0.00 0.00 58.31 54.51 1k4m n LYS 2 Cb 0.00 -0.29 -0.03 0.00 -1.84 0.00 0.00 35.03 32.88 1k4m n LYS 2 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1k4m s SER 3 N -2.09 6.74 0.10 4.39 0.15 -1.26 -4.36 113.70 117.37 1k4m s SER 3 Ca 0.17 2.45 -0.31 0.00 0.70 0.00 0.00 55.95 58.96 1k4m s SER 3 Cb -0.01 -2.59 -0.10 0.00 -1.71 0.00 0.00 66.02 61.61 1k4m s SER 3 CO 0.12 -0.71 1.83 -0.22 1.20 0.00 0.00 173.24 175.46 1k4m s LEU 4 N 0.98 4.40 0.05 3.45 2.96 -1.26 -4.34 118.68 124.91 1k4m s LEU 4 Ca 0.66 2.71 0.04 0.00 -0.22 0.00 0.00 54.13 57.31 1k4m s LEU 4 Cb -0.39 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.70 1k4m s LEU 4 CO 0.32 -1.00 -0.03 -1.10 -1.32 0.00 0.00 176.35 173.22 1k4m s GLN 5 N 3.02 2.55 0.05 1.98 -0.21 -0.52 -4.57 119.66 121.96 1k4m s GLN 5 Ca 0.81 -0.78 0.05 0.00 0.02 0.00 0.00 55.36 55.46 1k4m s GLN 5 Cb -0.45 -2.53 -0.02 0.00 1.00 0.00 0.00 33.01 31.01 1k4m s GLN 5 CO 0.37 0.57 -0.14 0.00 -2.12 0.00 0.00 175.29 173.96 1k4m s ALA 6 N -1.16 1.20 0.10 6.09 0.00 -1.19 -1.19 121.76 125.61 1k4m s ALA 6 Ca 0.21 -0.87 0.08 0.00 0.00 0.00 0.00 51.96 51.39 1k4m s ALA 6 Cb -0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1k4m s ALA 6 CO 0.13 0.22 -0.21 -0.51 0.00 0.00 0.00 175.76 175.39 1k4m s LEU 7 N -1.25 2.29 -0.15 0.00 1.43 0.79 -1.09 118.68 120.70 1k4m s LEU 7 Ca 0.01 -0.67 -0.04 0.00 -1.03 0.00 0.00 54.13 52.40 1k4m s LEU 7 Cb -0.08 -0.90 0.05 0.00 0.03 0.00 0.00 46.19 45.29 1k4m s LEU 7 CO 0.01 0.07 0.07 0.12 0.23 0.00 0.00 176.35 176.85 1k4m s PHE 8 N -1.13 0.37 0.27 0.29 5.99 0.44 -0.63 117.98 123.58 1k4m s PHE 8 Ca 0.07 -0.34 0.06 0.00 0.00 0.00 0.00 56.93 56.72 1k4m s PHE 8 Cb -0.10 -0.74 -0.03 0.00 0.00 0.00 0.00 43.02 42.15 1k4m s PHE 8 CO 0.04 -0.48 0.32 0.20 -0.00 0.00 0.00 175.22 175.30 1k4m s GLY 9 N 2.08 1.39 0.00 13.12 0.00 -1.26 -0.27 107.32 122.37 1k4m s GLY 9 Ca 0.02 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.37 1k4m s GLY 9 CO -0.08 -1.37 0.00 0.61 0.00 0.00 0.00 173.10 172.26 1k4m n GLY 10 N -1.36 0.08 0.13 0.20 0.00 -1.08 -4.91 105.19 98.25 1k4m n GLY 10 Ca -0.07 -1.00 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.32 1.63 -3.18 2.61 -1.04 -1.26 -1.66 114.28 111.06 1k4m n THR 11 Ca 0.00 -0.65 -0.08 0.00 -2.04 0.00 0.00 64.05 61.28 1k4m n THR 11 Cb 0.00 -1.46 0.00 0.00 -1.82 0.00 0.00 70.33 67.05 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 -3.31 -2.89 -3.19 -1.42 3.01 -1.26 -4.73 117.46 103.67 1k4m n PHE 12 Ca -0.36 1.13 -0.26 0.00 1.01 0.00 0.00 57.45 58.96 1k4m n PHE 12 Cb 1.03 -3.76 -0.06 0.00 -0.01 0.00 0.00 39.48 36.69 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 -1.59 3.71 -5.01 4.37 2.03 -1.26 -3.26 116.55 115.53 1k4m n ASP 13 Ca -0.04 -3.48 -0.18 0.00 0.52 0.00 0.00 54.79 51.60 1k4m n ASP 13 Cb 0.54 -0.62 0.03 0.00 -0.72 0.00 0.00 41.12 40.35 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 -2.82 2.58 0.45 -0.67 0.04 -1.26 -4.72 135.00 128.59 1k4m s PRO 14 Ca 0.43 -1.40 -0.24 0.00 0.04 0.00 0.00 61.00 59.83 1k4m s PRO 14 Cb 0.22 -2.70 -0.07 0.00 0.04 0.00 0.00 34.50 31.98 1k4m s PRO 14 CO -0.07 -0.56 1.23 0.54 0.04 0.00 0.00 177.00 178.18 1k4m s VAL 15 N -2.51 2.85 0.36 -0.36 0.11 -1.20 -4.71 120.40 114.94 1k4m s VAL 15 Ca 0.58 0.68 -0.06 0.00 -2.93 0.00 0.00 61.98 60.26 1k4m s VAL 15 Cb -0.08 -3.37 0.02 0.00 -1.53 0.00 0.00 36.38 31.43 1k4m s VAL 15 CO 0.36 0.03 0.57 0.00 -3.33 0.00 0.00 175.10 172.73 1k4m n HIS 16 N -0.31 -1.72 0.26 1.54 1.44 -1.26 -4.79 115.22 110.38 1k4m n HIS 16 Ca 0.06 -2.19 0.10 0.00 -2.01 0.00 0.00 57.72 53.68 1k4m n HIS 16 Cb 0.46 0.66 0.69 0.00 0.12 0.00 0.00 29.99 31.92 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 2.00 0.00 0.00 -1.40 0.99 -1.53 -1.01 116.97 116.02 1k4m h TYR 17 Ca -0.29 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.42 1k4m h TYR 17 Cb 1.19 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.92 1k4m h TYR 17 CO 0.00 0.03 -0.12 0.78 -0.00 0.00 0.00 178.16 178.84 1k4m h GLY 18 N 0.10 0.00 0.01 3.88 0.00 -1.87 -1.51 103.07 103.68 1k4m h GLY 18 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1k4m h GLY 18 CO 0.00 0.00 -0.89 0.45 0.00 0.00 0.00 176.54 176.10 1k4m h HIS 19 N 0.00 0.00 0.12 5.60 3.86 -1.58 -3.42 115.15 119.74 1k4m h HIS 19 Ca -0.00 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1k4m h HIS 19 Cb 0.52 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1k4m h HIS 19 CO 0.00 1.35 -0.06 -0.07 0.86 0.00 0.00 177.93 180.01 1k4m h LEU 20 N -0.99 -0.13 -0.82 2.43 3.38 -1.33 -3.36 115.31 114.49 1k4m h LEU 20 Ca -0.25 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.33 1k4m h LEU 20 Cb 1.22 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 1k4m h LEU 20 CO -0.15 0.48 0.54 0.11 0.09 0.00 0.00 178.44 179.51 1k4m h LYS 21 N -0.88 1.03 -0.88 1.13 1.57 -1.54 -0.89 116.57 116.11 1k4m h LYS 21 Ca -0.02 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1k4m h LYS 21 Cb 0.54 -0.23 -0.06 0.00 0.08 0.00 0.00 32.23 32.56 1k4m h LYS 21 CO 0.03 0.68 0.56 -1.35 -0.57 0.00 0.00 179.45 178.80 1k4m h PRO 22 N 1.06 1.02 -0.47 3.15 0.11 -1.75 -2.24 132.00 132.89 1k4m h PRO 22 Ca 0.32 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.29 1k4m h PRO 22 Cb -0.05 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.81 1k4m h PRO 22 CO -0.09 0.68 -0.01 0.28 -0.21 0.00 0.00 178.00 178.64 1k4m h VAL 23 N 1.05 1.26 -1.01 3.15 2.07 -1.51 -0.91 116.25 120.36 1k4m h VAL 23 Ca 0.37 -1.08 0.02 0.00 0.82 0.00 0.00 66.70 66.83 1k4m h VAL 23 Cb 0.08 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1k4m h VAL 23 CO -0.14 0.37 0.66 -0.33 0.02 0.00 0.00 177.57 178.15 1k4m h GLU 24 N 0.69 1.28 -0.14 1.57 5.08 -0.91 -1.37 114.58 120.78 1k4m h GLU 24 Ca 0.13 -0.08 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 1k4m h GLU 24 Cb 0.52 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1k4m h GLU 24 CO 0.03 0.85 -0.68 1.15 -1.00 0.00 0.00 179.01 179.35 1k4m h THR 25 N 1.32 1.33 -0.86 1.13 2.02 -1.31 -2.97 112.91 113.57 1k4m h THR 25 Ca 0.38 -1.97 0.15 0.00 0.77 0.00 0.00 66.41 65.74 1k4m h THR 25 Cb -0.08 1.95 -0.09 0.00 -1.74 0.00 0.00 68.15 68.18 1k4m h THR 25 CO -0.10 0.61 0.44 0.25 0.37 0.00 0.00 175.52 177.09 1k4m h LEU 26 N 0.42 0.54 -1.77 2.58 5.85 -0.36 0.26 115.31 122.82 1k4m h LEU 26 Ca -0.02 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1k4m h LEU 26 Cb 1.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1k4m h LEU 26 CO 0.13 0.23 0.04 0.00 -0.34 0.00 0.00 178.44 178.50 1k4m h ALA 27 N 1.56 1.83 0.00 1.25 0.00 -1.11 -0.87 119.26 121.91 1k4m h ALA 27 Ca 0.47 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.18 1k4m h ALA 27 Cb 0.66 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1k4m h ALA 27 CO -0.36 0.14 -1.13 -0.91 0.00 0.00 0.00 179.25 176.99 1k4m h ASN 28 N 0.19 0.00 0.03 0.00 2.35 -0.58 -2.33 115.58 115.23 1k4m h ASN 28 Ca 0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1k4m h ASN 28 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1k4m h ASN 28 CO -0.00 0.55 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.24 1k4m h LEU 29 N 0.00 -0.04 0.00 1.61 3.38 -0.44 -3.40 115.31 116.42 1k4m h LEU 29 Ca -0.11 -0.66 -0.12 0.00 0.09 0.00 0.00 57.88 57.08 1k4m h LEU 29 Cb 1.52 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 1k4m h LEU 29 CO 0.05 0.73 -2.13 2.30 0.09 0.00 0.00 178.44 179.49 1k4m n ILE 30 N -4.73 0.46 0.00 1.22 -5.35 -0.38 -5.06 119.36 105.52 1k4m n ILE 30 Ca -0.08 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.78 1k4m n ILE 30 Cb 0.34 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.09 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 1.42 0.63 3.01 3.28 0.00 -0.91 -5.03 105.19 107.59 1k4m n GLY 31 Ca -0.14 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 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 1.60 0.00 0.99 1.43 -1.00 -4.81 118.68 116.89 1k4m s LEU 32 Ca 0.00 -0.29 0.21 0.00 -1.03 0.00 0.00 54.13 53.02 1k4m s LEU 32 Cb 0.00 -0.81 -0.20 0.00 0.03 0.00 0.00 46.19 45.22 1k4m s LEU 32 CO 0.00 0.02 0.93 0.35 0.23 0.00 0.00 176.35 177.87 1k4m n THR 33 N 3.91 0.00 -3.65 5.49 -2.24 -1.26 -4.82 114.28 111.71 1k4m n THR 33 Ca -0.22 -0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 1k4m n THR 33 Cb 0.52 1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 69.71 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 -2.92 0.68 -0.14 -0.78 1.81 -1.26 -4.74 118.95 111.60 1k4m s ARG 34 Ca 0.10 1.07 0.01 0.00 -1.72 0.00 0.00 55.73 55.19 1k4m s ARG 34 Cb 0.16 0.19 0.02 0.00 -0.45 0.00 0.00 34.95 34.87 1k4m s ARG 34 CO 0.82 -0.13 -0.17 0.08 -0.68 0.00 0.00 175.30 175.22 1k4m s VAL 35 N 1.22 1.74 -0.25 3.52 1.01 -0.23 -3.19 120.40 124.23 1k4m s VAL 35 Ca -0.07 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 1k4m s VAL 35 Cb -0.05 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1k4m s VAL 35 CO -0.13 0.49 0.39 -0.89 0.00 0.00 0.00 175.10 174.96 1k4m s THR 36 N 1.21 5.17 -0.06 3.92 2.01 -0.25 -1.79 115.64 125.85 1k4m s THR 36 Ca 0.00 0.64 -0.21 0.00 0.31 0.00 0.00 61.69 62.43 1k4m s THR 36 Cb -0.14 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1k4m s THR 36 CO -0.07 0.18 0.60 -0.63 -0.69 0.00 0.00 174.62 174.01 1k4m s ILE 37 N 1.87 5.03 -0.54 1.82 1.01 0.95 -0.42 121.20 130.92 1k4m s ILE 37 Ca 0.17 1.25 0.03 0.00 0.00 0.00 0.00 60.65 62.09 1k4m s ILE 37 Cb -0.15 -3.94 0.14 0.00 0.01 0.00 0.00 42.46 38.51 1k4m s ILE 37 CO 0.09 0.33 0.29 -0.63 0.00 0.00 0.00 174.94 175.03 1k4m s ILE 38 N 0.37 2.76 0.45 2.92 1.01 0.62 -1.81 121.20 127.53 1k4m s ILE 38 Ca 0.32 -3.30 -0.22 0.00 0.00 0.00 0.00 60.65 57.45 1k4m s ILE 38 Cb -0.17 -2.89 -0.08 0.00 0.01 0.00 0.00 42.46 39.32 1k4m s ILE 38 CO 0.16 -0.82 1.06 -2.16 0.00 0.00 0.00 174.94 173.18 1k4m s PRO 39 N -0.30 3.94 0.37 2.79 0.04 -1.26 -2.62 135.00 137.97 1k4m s PRO 39 Ca 0.17 1.48 0.08 0.00 0.04 0.00 0.00 61.00 62.77 1k4m s PRO 39 Cb -0.25 -2.32 -0.06 0.00 0.04 0.00 0.00 34.50 31.92 1k4m s PRO 39 CO -0.01 -0.33 0.06 0.54 0.04 0.00 0.00 177.00 177.30 1k4m s ASN 40 N -1.72 4.23 0.00 6.66 2.20 -0.66 -3.69 114.94 121.95 1k4m s ASN 40 Ca 0.63 -1.05 0.00 0.00 -0.94 0.00 0.00 52.86 51.50 1k4m s ASN 40 Cb -0.20 -0.51 0.00 0.00 -2.00 0.00 0.00 41.25 38.54 1k4m s ASN 40 CO 0.25 -0.35 0.00 -3.20 -2.94 0.00 0.00 177.10 170.86 1k4m n ASN 41 N -1.04 0.00 -3.23 3.54 2.85 -1.26 -4.79 115.26 111.33 1k4m n ASN 41 Ca -0.03 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.17 1k4m n ASN 41 Cb 0.63 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.59 1k4m n ASN 41 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1k4m n VAL 42 N -0.39 2.33 -1.45 3.44 0.24 -1.26 -4.76 118.33 116.48 1k4m n VAL 42 Ca 0.00 -5.25 -0.50 0.00 -2.04 0.00 0.00 64.34 56.54 1k4m n VAL 42 Cb 0.00 -1.77 -0.04 0.00 -1.47 0.00 0.00 33.84 30.56 1k4m n VAL 42 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1k4m n PRO 43 N 0.47 0.21 -0.15 7.34 -0.02 -1.26 -4.89 135.00 136.69 1k4m n PRO 43 Ca 0.30 0.07 -0.09 0.00 -2.02 0.00 0.00 63.50 61.76 1k4m n PRO 43 Cb 0.42 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 1k4m n PRO 43 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1k4m h PRO 44 N 1.75 0.67 0.00 0.52 0.11 -1.96 -3.14 132.00 129.95 1k4m h PRO 44 Ca -0.35 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1k4m h PRO 44 Cb 1.42 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1k4m h PRO 44 CO 0.60 0.62 0.00 -2.39 -0.21 0.00 0.00 178.00 176.63 1k4m n HIS 45 N -4.59 0.00 -3.44 0.65 1.44 -1.26 -4.76 115.22 103.25 1k4m n HIS 45 Ca 0.01 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 1k4m n HIS 45 Cb 0.16 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.25 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 1.22 1.24 -1.40 1.70 -1.19 -5.17 118.95 113.36 1k4m s ARG 46 Ca 0.02 -0.46 -0.15 0.00 -0.47 0.00 0.00 55.73 54.67 1k4m s ARG 46 Cb 0.01 0.56 0.31 0.00 -0.57 0.00 0.00 34.95 35.26 1k4m s ARG 46 CO 0.01 -0.53 1.00 -1.25 -1.08 0.00 0.00 175.30 173.45 1k4m s PRO 47 N -3.66 -1.52 0.31 3.89 0.04 -1.26 -4.75 135.00 128.05 1k4m s PRO 47 Ca 0.02 0.68 -0.29 0.00 0.04 0.00 0.00 61.00 61.45 1k4m s PRO 47 Cb -0.01 -1.50 -0.10 0.00 0.04 0.00 0.00 34.50 32.93 1k4m s PRO 47 CO -0.12 -4.08 1.37 -1.14 0.04 0.00 0.00 177.00 173.07 1k4m s GLN 48 N -4.54 4.30 0.55 4.56 0.74 -1.26 -4.87 119.66 119.14 1k4m s GLN 48 Ca 0.69 2.28 -0.18 0.00 0.05 0.00 0.00 55.36 58.20 1k4m s GLN 48 Cb -0.23 -3.07 -0.06 0.00 1.10 0.00 0.00 33.01 30.75 1k4m s GLN 48 CO 0.64 -0.30 1.06 -1.25 -0.55 0.00 0.00 175.29 174.89 1k4m s PRO 49 N -1.35 3.48 -0.05 1.67 0.04 -1.26 -4.97 135.00 132.55 1k4m s PRO 49 Ca 0.53 1.33 -0.21 0.00 0.04 0.00 0.00 61.00 62.69 1k4m s PRO 49 Cb -0.41 -2.05 -0.16 0.00 0.04 0.00 0.00 34.50 31.92 1k4m s PRO 49 CO 0.51 -0.70 0.88 0.93 0.04 0.00 0.00 177.00 178.66 1k4m h GLU 50 N 0.95 -0.19 -6.72 4.56 5.08 -1.94 -3.43 114.58 112.89 1k4m h GLU 50 Ca -0.48 0.01 -0.51 0.00 -1.00 0.00 0.00 59.36 57.38 1k4m h GLU 50 Cb 1.23 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.53 1k4m h GLU 50 CO 0.58 0.25 0.49 0.00 -1.00 0.00 0.00 179.01 179.32 1k4m s ALA 51 N -3.68 3.40 1.13 3.43 0.00 -1.26 -4.98 121.76 119.80 1k4m s ALA 51 Ca -0.13 0.87 -0.18 0.00 0.00 0.00 0.00 51.96 52.52 1k4m s ALA 51 Cb 0.00 -3.35 0.26 0.00 0.00 0.00 0.00 23.12 20.04 1k4m s ALA 51 CO 0.48 -0.21 1.18 0.54 0.00 0.00 0.00 175.76 177.75 1k4m s ASN 52 N -0.42 1.59 0.19 0.00 6.03 -1.26 -4.73 114.94 116.34 1k4m s ASN 52 Ca 0.48 0.50 -0.12 0.00 -1.03 0.00 0.00 52.86 52.69 1k4m s ASN 52 Cb -0.31 -0.67 0.15 0.00 -3.03 0.00 0.00 41.25 37.38 1k4m s ASN 52 CO 0.38 -3.70 1.82 -1.28 -2.03 0.00 0.00 177.10 172.29 1k4m h SER 53 N -2.30 0.55 -0.49 3.54 0.87 -1.94 -1.64 113.55 112.16 1k4m h SER 53 Ca -0.45 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.05 1k4m h SER 53 Cb 1.27 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 1k4m h SER 53 CO 0.35 0.38 0.03 0.58 -0.53 0.00 0.00 176.83 177.65 1k4m h VAL 54 N 0.68 1.26 -0.28 2.23 2.07 -1.99 -2.20 116.25 118.02 1k4m h VAL 54 Ca 0.24 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 1k4m h VAL 54 Cb 0.05 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1k4m h VAL 54 CO -0.12 0.36 -0.05 1.56 0.02 0.00 0.00 177.57 179.34 1k4m h GLN 55 N 0.70 0.53 -0.60 1.57 4.20 -1.89 -1.40 115.11 118.22 1k4m h GLN 55 Ca 0.14 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1k4m h GLN 55 Cb 0.46 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1k4m h GLN 55 CO 0.02 0.72 0.38 0.00 -0.67 0.00 0.00 178.83 179.28 1k4m h ARG 56 N 0.29 0.79 -0.32 1.46 3.08 -1.25 0.07 114.38 118.50 1k4m h ARG 56 Ca 0.07 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 1k4m h ARG 56 Cb 0.52 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1k4m h ARG 56 CO 0.02 0.54 -0.17 -0.22 -1.07 0.00 0.00 179.97 179.07 1k4m h LYS 57 N 0.81 0.68 -0.73 0.04 3.11 -1.22 -2.34 116.57 116.92 1k4m h LYS 57 Ca 0.22 -0.31 -0.06 0.00 -2.81 0.00 0.00 60.65 57.69 1k4m h LYS 57 Cb -0.07 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.12 1k4m h LYS 57 CO -0.04 0.90 0.23 1.25 -2.81 0.00 0.00 179.45 178.98 1k4m h HIS 58 N 0.45 1.17 -0.38 1.91 2.76 -0.55 -1.31 115.15 119.21 1k4m h HIS 58 Ca 0.07 -0.12 -0.06 0.00 -2.20 0.00 0.00 60.37 58.06 1k4m h HIS 58 Cb 0.71 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 1k4m h HIS 58 CO 0.06 0.93 -0.02 0.52 -1.30 0.00 0.00 177.93 178.12 1k4m h MET 59 N 1.08 0.60 -0.19 5.26 2.86 -0.93 -0.18 114.93 123.43 1k4m h MET 59 Ca 0.24 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1k4m h MET 59 Cb 0.30 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1k4m h MET 59 CO -0.01 0.63 -0.03 -0.07 1.06 0.00 0.00 176.91 178.50 1k4m h LEU 60 N 0.57 0.36 -0.69 1.22 3.38 -0.93 -0.61 115.31 118.61 1k4m h LEU 60 Ca 0.12 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1k4m h LEU 60 Cb 0.39 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1k4m h LEU 60 CO 0.02 0.62 0.44 -0.33 0.09 0.00 0.00 178.44 179.27 1k4m h GLU 61 N 0.09 0.85 -0.85 1.13 5.08 -0.85 -0.93 114.58 119.10 1k4m h GLU 61 Ca 0.05 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1k4m h GLU 61 Cb 0.45 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1k4m h GLU 61 CO 0.02 0.56 0.44 -0.07 -1.00 0.00 0.00 179.01 178.96 1k4m h LEU 62 N 0.88 1.09 -0.87 1.33 3.38 -0.85 -0.40 115.31 119.87 1k4m h LEU 62 Ca 0.27 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1k4m h LEU 62 Cb -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1k4m h LEU 62 CO -0.09 0.89 -0.41 0.00 0.09 0.00 0.00 178.44 178.93 1k4m h ALA 63 N 1.28 1.04 -0.18 1.53 0.00 -0.21 -3.17 119.26 119.54 1k4m h ALA 63 Ca 0.30 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1k4m h ALA 63 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1k4m h ALA 63 CO -0.04 0.61 0.00 0.44 0.00 0.00 0.00 179.25 180.25 1k4m n ILE 64 N -4.03 0.25 -0.30 0.00 -5.35 -0.44 -4.58 119.36 104.91 1k4m n ILE 64 Ca -0.01 -0.62 0.14 0.00 -0.27 0.00 0.00 62.75 61.98 1k4m n ILE 64 Cb 0.49 1.20 0.32 0.00 -1.74 0.00 0.00 39.64 39.91 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 4.06 1.40 -0.65 -1.28 0.00 -1.05 0.65 119.26 122.40 1k4m h ALA 65 Ca 0.00 0.20 -0.36 0.00 0.00 0.00 0.00 54.91 54.75 1k4m h ALA 65 Cb 0.89 0.25 -0.21 0.00 0.00 0.00 0.00 17.79 18.72 1k4m h ALA 65 CO 0.00 -0.44 0.21 -0.40 0.00 0.00 0.00 179.25 178.61 1k4m n ASP 66 N -5.15 3.44 -3.43 0.00 5.75 -1.26 -4.76 116.55 111.13 1k4m n ASP 66 Ca 0.23 -3.73 -0.27 0.00 -0.01 0.00 0.00 54.79 51.00 1k4m n ASP 66 Cb 0.71 -0.72 -0.10 0.00 -1.03 0.00 0.00 41.12 39.98 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 -3.34 0.96 0.20 0.11 1.02 0.22 -5.00 119.74 113.91 1k4m s LYS 67 Ca 0.51 -2.10 0.09 0.00 0.02 0.00 0.00 55.97 54.50 1k4m s LYS 67 Cb 0.44 -1.52 0.52 0.00 -0.52 0.00 0.00 37.83 36.75 1k4m s LYS 67 CO 0.04 -1.36 1.19 -0.35 -0.92 0.00 0.00 175.35 173.94 1k4m n PRO 68 N 2.92 0.06 -0.18 -1.68 -0.04 -1.26 -1.65 135.00 133.17 1k4m n PRO 68 Ca 0.27 0.50 -0.01 0.00 -0.04 0.00 0.00 63.50 64.22 1k4m n PRO 68 Cb 0.46 -1.90 0.22 0.00 -0.04 0.00 0.00 33.50 32.24 1k4m n PRO 68 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1k4m h LEU 69 N 0.00 0.83 -9.91 1.53 5.85 -1.92 -3.44 115.31 108.25 1k4m h LEU 69 Ca 0.00 -0.08 -0.56 0.00 0.84 0.00 0.00 57.88 58.08 1k4m h LEU 69 Cb 0.38 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1k4m h LEU 69 CO 0.00 0.69 -0.17 -0.36 -0.34 0.00 0.00 178.44 178.26 1k4m s PHE 70 N -5.57 3.50 0.14 1.25 0.40 -0.66 -1.07 117.98 115.98 1k4m s PHE 70 Ca -0.10 0.83 -0.09 0.00 -0.60 0.00 0.00 56.93 56.96 1k4m s PHE 70 Cb 0.17 -2.21 -0.00 0.00 0.51 0.00 0.00 43.02 41.48 1k4m s PHE 70 CO 0.79 0.38 0.27 -0.08 0.70 0.00 0.00 175.22 177.28 1k4m s THR 71 N -1.64 0.08 0.07 0.64 -1.32 -0.74 -4.95 115.64 107.78 1k4m s THR 71 Ca 0.42 -1.29 0.07 0.00 -1.21 0.00 0.00 61.69 59.67 1k4m s THR 71 Cb -0.13 -1.68 -0.04 0.00 -1.51 0.00 0.00 72.50 69.15 1k4m s THR 71 CO 0.21 -0.38 -0.14 -0.76 -2.21 0.00 0.00 174.62 171.34 1k4m s LEU 72 N -2.93 2.84 -0.20 9.08 1.02 -1.26 -0.03 118.68 127.19 1k4m s LEU 72 Ca 0.13 -0.39 0.01 0.00 0.02 0.00 0.00 54.13 53.90 1k4m s LEU 72 Cb 0.04 -1.66 0.05 0.00 0.02 0.00 0.00 46.19 44.63 1k4m s LEU 72 CO -0.03 0.22 -0.09 -0.62 0.02 0.00 0.00 176.35 175.85 1k4m s ASP 73 N -1.77 3.45 -0.01 2.29 3.68 -0.75 -4.90 116.67 118.65 1k4m s ASP 73 Ca 0.17 -0.93 0.11 0.00 2.13 0.00 0.00 52.55 54.03 1k4m s ASP 73 Cb -0.11 -1.21 0.33 0.00 -1.45 0.00 0.00 42.92 40.48 1k4m s ASP 73 CO 0.09 -0.16 1.24 -0.62 0.13 0.00 0.00 175.17 175.85 1k4m n GLU 74 N 4.69 1.96 -0.19 4.34 1.02 -1.26 -4.23 120.64 126.97 1k4m n GLU 74 Ca -0.14 -1.32 0.17 0.00 -0.02 0.00 0.00 57.16 55.85 1k4m n GLU 74 Cb 0.46 -1.35 0.51 0.00 -0.02 0.00 0.00 31.44 31.04 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 2.08 0.40 0.00 3.49 0.11 -1.95 0.24 114.38 118.74 1k4m h ARG 75 Ca 0.00 -0.02 -0.12 0.00 0.10 0.00 0.00 59.98 59.94 1k4m h ARG 75 Cb 0.57 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.54 1k4m h ARG 75 CO 0.03 0.26 -0.68 0.93 0.10 0.00 0.00 179.97 180.61 1k4m h GLU 76 N 0.41 0.00 -0.09 0.08 5.08 -1.78 -0.70 114.58 117.58 1k4m h GLU 76 Ca 0.40 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.52 1k4m h GLU 76 Cb 0.95 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.21 1k4m h GLU 76 CO -0.13 0.46 -0.87 -0.07 -1.00 0.00 0.00 179.01 177.39 1k4m h LEU 77 N 0.00 0.85 0.00 1.33 3.38 -1.13 -3.27 115.31 116.48 1k4m h LEU 77 Ca -0.03 -0.61 -0.08 0.00 0.09 0.00 0.00 57.88 57.25 1k4m h LEU 77 Cb 1.42 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1k4m h LEU 77 CO 0.06 1.40 -0.56 0.11 0.09 0.00 0.00 178.44 179.54 1k4m h LYS 78 N 0.44 0.00 -6.43 1.13 1.57 -1.06 -3.47 116.57 108.76 1k4m h LYS 78 Ca -0.08 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.08 1k4m h LYS 78 Cb 1.50 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.89 1k4m h LYS 78 CO 0.17 0.31 0.48 -2.13 -0.57 0.00 0.00 179.45 177.71 1k4m n ARG 79 N -3.10 1.57 0.07 3.15 0.63 -0.27 -4.88 116.66 113.84 1k4m n ARG 79 Ca 0.01 0.56 -0.21 0.00 -0.92 0.00 0.00 57.85 57.29 1k4m n ARG 79 Cb 0.69 -2.17 -0.11 0.00 0.45 0.00 0.00 32.46 31.31 1k4m n ARG 79 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1k4m h ASN 80 N 4.19 0.85 -3.35 6.15 2.35 -1.90 -3.46 115.58 120.42 1k4m h ASN 80 Ca -0.45 -0.74 -0.45 0.00 -0.55 0.00 0.00 56.30 54.11 1k4m h ASN 80 Cb 1.31 -0.26 0.08 0.00 0.05 0.00 0.00 38.32 39.49 1k4m h ASN 80 CO 0.76 1.55 0.18 0.00 -1.65 0.00 0.00 177.43 178.26 1k4m s ALA 81 N -3.11 3.31 0.62 -0.83 0.00 -1.26 -5.04 121.76 115.44 1k4m s ALA 81 Ca -0.09 -1.11 -0.16 0.00 0.00 0.00 0.00 51.96 50.60 1k4m s ALA 81 Cb 0.06 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 1k4m s ALA 81 CO 0.92 -1.28 1.10 -2.14 0.00 0.00 0.00 175.76 174.37 1k4m s PRO 82 N -5.18 3.01 0.28 0.00 0.02 -1.26 -5.02 135.00 126.84 1k4m s PRO 82 Ca 0.61 1.40 0.07 0.00 0.02 0.00 0.00 61.00 63.10 1k4m s PRO 82 Cb -0.10 -1.98 -0.03 0.00 0.02 0.00 0.00 34.50 32.41 1k4m s PRO 82 CO 0.44 -1.09 0.23 -1.12 -0.33 0.00 0.00 177.00 175.14 1k4m s SER 83 N -2.46 5.46 -0.02 2.53 0.01 -1.26 -5.11 113.70 112.85 1k4m s SER 83 Ca 0.67 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.61 1k4m s SER 83 Cb -0.20 -1.27 0.02 0.00 0.21 0.00 0.00 66.02 64.78 1k4m s SER 83 CO 0.38 -0.15 0.00 -0.31 0.41 0.00 0.00 173.24 173.58 1k4m s TYR 84 N -2.19 0.16 0.29 2.43 1.51 -1.26 -4.92 117.35 113.37 1k4m s TYR 84 Ca 0.36 0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.46 1k4m s TYR 84 Cb -0.07 -0.24 0.54 0.00 -0.11 0.00 0.00 41.96 42.07 1k4m s TYR 84 CO 0.26 -0.07 1.87 1.15 -1.11 0.00 0.00 175.55 177.64 1k4m h THR 85 N 5.87 0.99 -0.82 -0.71 2.02 -1.99 0.26 112.91 118.54 1k4m h THR 85 Ca -0.38 -0.35 0.07 0.00 0.77 0.00 0.00 66.41 66.52 1k4m h THR 85 Cb 1.15 -0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 1k4m h THR 85 CO 0.49 0.19 0.53 0.00 0.37 0.00 0.00 175.52 177.10 1k4m h ALA 86 N 1.52 1.62 -0.09 6.16 0.00 -1.89 0.43 119.26 127.00 1k4m h ALA 86 Ca 0.45 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 1k4m h ALA 86 Cb 0.36 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1k4m h ALA 86 CO -0.21 0.25 -0.14 0.37 0.00 0.00 0.00 179.25 179.53 1k4m h GLN 87 N 0.88 0.26 -0.83 0.00 5.75 -0.87 -1.90 115.11 118.40 1k4m h GLN 87 Ca 0.35 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1k4m h GLN 87 Cb 0.25 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 1k4m h GLN 87 CO -0.13 0.72 0.50 1.15 -2.65 0.00 0.00 178.83 178.43 1k4m h THR 88 N -0.18 1.23 0.00 2.39 2.02 -0.78 -1.80 112.91 115.79 1k4m h THR 88 Ca 0.01 -0.50 -0.14 0.00 0.77 0.00 0.00 66.41 66.54 1k4m h THR 88 Cb 0.70 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1k4m h THR 88 CO 0.03 0.24 -0.68 -0.07 0.37 0.00 0.00 175.52 175.41 1k4m h LEU 89 N 1.14 0.00 -0.14 2.58 3.38 -0.91 -0.14 115.31 121.22 1k4m h LEU 89 Ca 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1k4m h LEU 89 Cb -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1k4m h LEU 89 CO -0.06 0.68 0.06 0.50 0.09 0.00 0.00 178.44 179.72 1k4m h LYS 90 N 0.00 0.20 0.01 1.13 3.64 -0.89 -0.93 116.57 119.74 1k4m h LYS 90 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1k4m h LYS 90 Cb 1.22 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1k4m h LYS 90 CO 0.09 0.28 -0.01 0.93 -2.27 0.00 0.00 179.45 178.47 1k4m h GLU 91 N 0.08 -0.02 -0.63 1.90 5.08 -1.18 -2.04 114.58 117.76 1k4m h GLU 91 Ca 0.05 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 1k4m h GLU 91 Cb 0.15 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 1k4m h GLU 91 CO -0.00 -0.02 0.29 -1.49 -1.00 0.00 0.00 179.01 176.79 1k4m h TRP 92 N -0.02 0.51 -0.82 4.33 4.06 -0.87 -0.96 115.95 122.18 1k4m h TRP 92 Ca -0.00 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.03 1k4m h TRP 92 Cb 0.02 -0.13 -0.06 0.00 -1.00 0.00 0.00 29.16 27.99 1k4m h TRP 92 CO -0.08 0.18 0.51 -0.09 -3.56 0.00 0.00 178.44 175.40 1k4m h ARG 93 N 0.51 0.92 -0.53 0.49 9.65 -0.74 0.47 114.38 125.16 1k4m h ARG 93 Ca 0.31 -0.06 -0.12 0.00 -1.10 0.00 0.00 59.98 59.01 1k4m h ARG 93 Cb 0.32 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 1k4m h ARG 93 CO -0.26 0.61 -0.15 1.96 2.80 0.00 0.00 179.97 184.93 1k4m h GLN 94 N 0.95 1.03 -0.17 0.20 4.20 -0.69 -1.28 115.11 119.35 1k4m h GLN 94 Ca 0.35 -0.40 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 1k4m h GLN 94 Cb 0.13 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1k4m h GLN 94 CO -0.16 1.09 -0.12 0.93 -0.67 0.00 0.00 178.83 179.90 1k4m h GLU 95 N 0.91 0.39 0.00 1.46 5.08 -0.63 -3.27 114.58 118.51 1k4m h GLU 95 Ca 0.13 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1k4m h GLU 95 Cb 0.72 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1k4m h GLU 95 CO 0.06 0.73 -0.28 1.96 -1.00 0.00 0.00 179.01 180.47 1k4m h GLN 96 N 0.05 0.00 0.00 2.33 1.08 -0.92 -3.50 115.11 114.15 1k4m h GLN 96 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1k4m h GLN 96 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1k4m h GLN 96 CO 0.03 0.28 0.00 0.41 -0.95 0.00 0.00 178.83 178.61 1k4m n GLY 97 N 0.96 0.87 0.00 3.46 0.00 -0.49 -4.58 105.19 105.42 1k4m n GLY 97 Ca 0.02 -1.99 0.14 0.00 0.00 0.00 0.00 46.02 44.20 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 1.20 0.22 -0.30 1.61 -0.04 -1.26 -3.91 135.00 132.52 1k4m n PRO 98 Ca 0.00 -0.00 0.09 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 -1.39 3.54 -4.50 3.54 8.00 -1.26 -4.75 116.55 119.73 1k4m n ASP 99 Ca 0.11 -2.08 -0.39 0.00 0.71 0.00 0.00 54.79 53.14 1k4m n ASP 99 Cb 0.29 -0.38 -0.11 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.14 4.96 0.24 2.53 1.01 -1.25 -0.73 120.40 126.00 1k4m s VAL 100 Ca 0.37 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1k4m s VAL 100 Cb 0.20 -3.50 -0.10 0.00 0.00 0.00 0.00 36.38 32.98 1k4m s VAL 100 CO 0.23 0.08 1.46 -2.84 0.00 0.00 0.00 175.10 174.03 1k4m s PRO 101 N 1.68 4.26 -0.03 2.72 0.02 -1.26 -4.76 135.00 137.62 1k4m s PRO 101 Ca 0.06 2.31 0.04 0.00 0.02 0.00 0.00 61.00 63.42 1k4m s PRO 101 Cb -0.17 -3.12 -0.00 0.00 0.02 0.00 0.00 34.50 31.23 1k4m s PRO 101 CO 0.08 -0.45 -0.14 -1.17 -0.33 0.00 0.00 177.00 175.00 1k4m s LEU 102 N -0.15 1.88 -0.01 -5.54 2.96 -0.60 -1.43 118.68 115.79 1k4m s LEU 102 Ca 0.61 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.26 1k4m s LEU 102 Cb -0.42 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.45 1k4m s LEU 102 CO 0.41 0.13 -0.10 0.00 -1.32 0.00 0.00 176.35 175.47 1k4m s ALA 103 N 0.06 0.82 -0.20 5.97 0.00 -0.33 0.02 121.76 128.10 1k4m s ALA 103 Ca -0.03 -0.40 -0.04 0.00 0.00 0.00 0.00 51.96 51.49 1k4m s ALA 103 Cb -0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1k4m s ALA 103 CO 0.01 0.19 -0.03 0.12 0.00 0.00 0.00 175.76 176.05 1k4m s PHE 104 N -0.14 2.98 -0.12 0.00 5.36 -0.20 -0.15 117.98 125.71 1k4m s PHE 104 Ca 0.02 -0.71 -0.15 0.00 -0.96 0.00 0.00 56.93 55.14 1k4m s PHE 104 Cb -0.05 -2.07 -0.05 0.00 -0.34 0.00 0.00 43.02 40.52 1k4m s PHE 104 CO -0.00 -0.39 0.36 0.42 -1.46 0.00 0.00 175.22 174.15 1k4m s ILE 105 N 1.17 5.23 0.20 3.12 1.01 0.20 -1.62 121.20 130.51 1k4m s ILE 105 Ca 0.02 0.70 -0.00 0.00 0.00 0.00 0.00 60.65 61.37 1k4m s ILE 105 Cb -0.14 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1k4m s ILE 105 CO -0.00 0.41 0.10 0.27 0.00 0.00 0.00 174.94 175.72 1k4m s ILE 106 N 0.20 0.20 0.41 2.92 -4.36 -0.16 -4.22 121.20 116.18 1k4m s ILE 106 Ca 0.20 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 1k4m s ILE 106 Cb -0.14 -2.44 -0.02 0.00 1.25 0.00 0.00 42.46 41.11 1k4m s ILE 106 CO 0.07 -0.11 0.62 -0.83 0.24 0.00 0.00 174.94 174.94 1k4m s GLY 107 N -3.18 1.47 0.38 6.27 0.00 -1.26 -0.39 107.32 110.61 1k4m s GLY 107 Ca 0.35 -0.98 0.12 0.00 0.00 0.00 0.00 44.72 44.21 1k4m s GLY 107 CO 0.10 -0.85 1.89 -1.61 0.00 0.00 0.00 173.10 172.63 1k4m h GLN 108 N 0.54 0.56 -0.07 2.90 5.75 -1.33 0.17 115.11 123.64 1k4m h GLN 108 Ca -0.48 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 57.94 1k4m h GLN 108 Cb 1.24 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.65 1k4m h GLN 108 CO 0.59 0.37 -0.19 0.38 -2.65 0.00 0.00 178.83 177.33 1k4m h ASP 109 N 0.58 0.10 1.04 -0.69 2.03 -1.93 -2.43 116.42 115.12 1k4m h ASP 109 Ca 0.41 -0.02 -0.20 0.00 -0.73 0.00 0.00 57.03 56.49 1k4m h ASP 109 Cb 0.76 -0.03 -0.03 0.00 -0.83 0.00 0.00 39.33 39.21 1k4m h ASP 109 CO -0.17 0.30 -0.97 0.28 -1.03 0.00 0.00 179.24 177.66 1k4m h SER 110 N 0.10 0.00 -0.60 4.15 0.02 -1.36 -3.21 113.55 112.66 1k4m h SER 110 Ca 0.02 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1k4m h SER 110 Cb 0.40 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1k4m h SER 110 CO 0.03 0.95 0.39 0.25 -1.14 0.00 0.00 176.83 177.30 1k4m h LEU 111 N 0.00 0.66 -1.95 5.07 5.85 -0.95 -0.76 115.31 123.22 1k4m h LEU 111 Ca -0.02 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.80 1k4m h LEU 111 Cb 1.74 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.59 1k4m h LEU 111 CO 0.12 0.48 0.29 -0.07 -0.34 0.00 0.00 178.44 178.92 1k4m h LEU 112 N 0.79 0.05 -1.68 2.25 4.07 -1.49 -1.39 115.31 117.90 1k4m h LEU 112 Ca 0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1k4m h LEU 112 Cb -0.06 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.67 1k4m h LEU 112 CO -0.06 0.03 -0.09 0.35 -1.08 0.00 0.00 178.44 177.59 1k4m n THR 113 N -4.43 0.00 -0.28 0.22 -2.24 -0.75 -4.65 114.28 102.15 1k4m n THR 113 Ca 0.07 -0.43 0.08 0.00 -2.27 0.00 0.00 64.05 61.49 1k4m n THR 113 Cb 0.45 1.37 0.23 0.00 -2.10 0.00 0.00 70.33 70.28 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 4.09 0.65 0.00 4.78 3.57 0.01 -1.77 116.94 128.26 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 0.91 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.49 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 -4.96 0.02 -0.03 6.41 -0.02 -1.26 -0.95 135.00 134.21 1k4m n PRO 115 Ca 0.17 0.38 0.12 0.00 -2.02 0.00 0.00 63.50 62.15 1k4m n PRO 115 Cb 0.47 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.59 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 -1.42 0.07 -2.47 3.45 -2.24 -0.67 -4.90 114.28 106.10 1k4m n THR 116 Ca 0.01 -0.52 -0.33 0.00 -2.27 0.00 0.00 64.05 60.94 1k4m n THR 116 Cb 0.03 1.37 -0.04 0.00 -2.10 0.00 0.00 70.33 69.59 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 -1.93 3.23 -0.05 4.78 0.52 -0.13 -4.96 118.94 120.41 1k4m s TRP 117 Ca 0.30 1.54 -0.34 0.00 0.02 0.00 0.00 56.10 57.62 1k4m s TRP 117 Cb 0.20 -2.90 -0.12 0.00 -1.15 0.00 0.00 33.47 29.50 1k4m s TRP 117 CO 0.30 -0.54 1.85 0.98 0.02 0.00 0.00 176.95 179.56 1k4m n TYR 118 N -1.29 2.34 -4.23 -1.98 9.36 -1.26 -1.89 117.16 118.20 1k4m n TYR 118 Ca 0.08 0.01 -0.34 0.00 3.32 0.00 0.00 57.90 60.97 1k4m n TYR 118 Cb 0.53 -2.66 -0.05 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 6.24 -2.38 -0.27 2.98 1.02 -1.26 -4.42 120.64 122.55 1k4m n GLU 119 Ca 0.22 0.29 0.14 0.00 -0.02 0.00 0.00 57.16 57.78 1k4m n GLU 119 Cb 0.30 -4.61 0.40 0.00 -0.02 0.00 0.00 31.44 27.51 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 -1.54 0.78 -0.04 -0.32 -0.00 -1.68 -1.56 116.97 112.62 1k4m h TYR 120 Ca -0.62 0.02 0.01 0.00 0.00 0.00 0.00 58.73 58.15 1k4m h TYR 120 Cb 1.39 -0.24 -0.00 0.00 0.00 0.00 0.00 36.73 37.87 1k4m h TYR 120 CO 0.59 0.26 0.05 0.93 -0.00 0.00 0.00 178.16 179.98 1k4m h GLU 121 N 0.63 0.00 0.00 0.10 5.08 -1.87 -1.97 114.58 116.56 1k4m h GLU 121 Ca 0.46 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.75 1k4m h GLU 121 Cb 0.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1k4m h GLU 121 CO -0.22 0.00 -0.37 1.79 -1.00 0.00 0.00 179.01 179.21 1k4m h THR 122 N 0.00 0.71 -0.48 1.13 1.35 -1.64 -3.35 112.91 110.63 1k4m h THR 122 Ca 0.02 -1.75 0.07 0.00 -0.55 0.00 0.00 66.41 64.20 1k4m h THR 122 Cb 0.11 2.16 -0.06 0.00 -1.73 0.00 0.00 68.15 68.63 1k4m h THR 122 CO -0.00 0.36 0.14 0.40 -0.25 0.00 0.00 175.52 176.18 1k4m h ILE 123 N 0.00 0.80 0.00 6.82 2.04 -1.46 -0.66 117.51 125.05 1k4m h ILE 123 Ca -0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1k4m h ILE 123 Cb 1.13 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1k4m h ILE 123 CO 0.05 0.05 0.00 0.18 0.00 0.00 0.00 178.15 178.43 1k4m n LEU 124 N -5.04 0.24 0.17 1.44 4.77 -1.25 -1.03 117.00 116.30 1k4m n LEU 124 Ca 0.05 0.56 0.06 0.00 -0.03 0.00 0.00 56.01 56.65 1k4m n LEU 124 Cb 0.20 -0.53 0.08 0.00 -2.33 0.00 0.00 43.42 40.84 1k4m n LEU 124 CO 0.23 -0.37 0.59 0.44 -1.33 0.00 0.00 177.39 176.96 1k4m h ASP 125 N 0.00 0.00 0.00 -1.43 3.32 -1.31 -1.65 116.42 115.35 1k4m h ASP 125 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1k4m h ASP 125 Cb 0.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1k4m h ASP 125 CO 0.00 0.30 -1.68 0.59 -1.72 0.00 0.00 179.24 176.73 1k4m n ASN 126 N -3.17 1.71 -3.40 6.45 3.02 -0.62 -4.85 115.26 114.40 1k4m n ASN 126 Ca 0.03 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.49 1k4m n ASN 126 Cb 0.65 1.58 -0.00 0.00 -0.61 0.00 0.00 39.78 41.40 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 -2.94 -0.79 0.41 5.41 0.00 -0.20 -4.77 121.76 118.89 1k4m s ALA 127 Ca -0.05 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1k4m s ALA 127 Cb 0.09 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 24.01 1k4m s ALA 127 CO 0.59 -0.99 0.61 -1.01 0.00 0.00 0.00 175.76 174.97 1k4m s HIS 128 N -3.13 3.19 -0.19 0.00 3.76 0.10 -2.22 115.29 116.81 1k4m s HIS 128 Ca 0.15 0.10 0.01 0.00 -0.15 0.00 0.00 55.06 55.17 1k4m s HIS 128 Cb -0.05 -2.21 0.02 0.00 1.11 0.00 0.00 32.58 31.45 1k4m s HIS 128 CO 0.10 -0.25 -0.19 -1.17 -0.85 0.00 0.00 174.74 172.39 1k4m s LEU 129 N -4.44 2.26 -0.22 0.89 2.96 0.04 -1.03 118.68 119.15 1k4m s LEU 129 Ca 0.47 -0.70 -0.05 0.00 -0.22 0.00 0.00 54.13 53.63 1k4m s LEU 129 Cb -0.10 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 1k4m s LEU 129 CO 0.36 -0.02 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.74 1k4m s ILE 130 N 1.28 3.76 -0.21 6.68 1.01 -0.64 -0.88 121.20 132.20 1k4m s ILE 130 Ca 0.04 -0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 1k4m s ILE 130 Cb -0.14 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 1k4m s ILE 130 CO -0.12 0.41 0.05 -0.69 0.00 0.00 0.00 174.94 174.59 1k4m s VAL 131 N 1.35 4.44 -0.05 2.92 1.01 -0.36 -0.99 120.40 128.73 1k4m s VAL 131 Ca 0.04 -0.15 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 1k4m s VAL 131 Cb -0.15 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1k4m s VAL 131 CO 0.00 0.41 0.36 0.00 0.00 0.00 0.00 175.10 175.87 1k4m s ARG 133 N -0.72 3.37 -0.04 0.00 0.52 -1.26 -0.94 118.95 119.88 1k4m s ARG 133 Ca 0.22 2.19 -0.00 0.00 -0.52 0.00 0.00 55.73 57.61 1k4m s ARG 133 Cb -0.15 -2.37 0.03 0.00 0.52 0.00 0.00 34.95 32.97 1k4m s ARG 133 CO 0.10 -0.99 -0.00 0.50 0.02 0.00 0.00 175.30 174.93 1k4m s ARG 134 N -2.76 0.44 0.32 3.54 3.52 -1.26 -4.72 118.95 118.02 1k4m s ARG 134 Ca 0.68 0.08 -0.29 0.00 -0.13 0.00 0.00 55.73 56.07 1k4m s ARG 134 Cb -0.39 -0.68 -0.12 0.00 -1.56 0.00 0.00 34.95 32.20 1k4m s ARG 134 CO 0.47 -0.19 1.37 -0.35 -0.81 0.00 0.00 175.30 175.79 1k4m n PRO 135 N 4.51 2.22 -0.62 5.12 -0.04 -1.26 -3.13 135.00 141.79 1k4m n PRO 135 Ca -0.19 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 1k4m n PRO 135 Cb 0.50 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 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 1.17 1.37 3.83 0.55 0.00 -1.26 -5.02 105.19 105.83 1k4m n GLY 136 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.22 3.66 0.68 1.61 1.51 -1.19 -5.04 117.35 115.36 1k4m s TYR 137 Ca 0.00 1.17 -0.17 0.00 -1.01 0.00 0.00 57.07 57.06 1k4m s TYR 137 Cb 0.00 -2.44 0.00 0.00 -0.11 0.00 0.00 41.96 39.41 1k4m s TYR 137 CO 0.00 0.45 1.12 -2.30 -1.11 0.00 0.00 175.55 173.71 1k4m n PRO 138 N 0.99 0.77 0.01 -1.71 -0.02 -1.26 -4.93 135.00 128.84 1k4m n PRO 138 Ca -0.06 0.32 0.11 0.00 -2.02 0.00 0.00 63.50 61.85 1k4m n PRO 138 Cb 0.51 -2.36 -0.13 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.82 0.30 -4.70 2.45 4.77 -1.26 -4.94 117.00 111.80 1k4m n LEU 139 Ca 0.14 -0.06 -0.27 0.00 -0.03 0.00 0.00 56.01 55.79 1k4m n LEU 139 Cb 0.49 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1k4m n LEU 139 CO 0.48 0.03 -0.30 -1.61 -1.33 0.00 0.00 177.39 174.66 1k4m s GLU 140 N -3.39 2.57 0.64 3.23 2.02 -1.26 -5.09 118.70 117.43 1k4m s GLU 140 Ca -0.03 -0.98 -0.17 0.00 0.02 0.00 0.00 54.97 53.81 1k4m s GLU 140 Cb 0.14 -2.48 -0.01 0.00 0.10 0.00 0.00 34.13 31.88 1k4m s GLU 140 CO 0.88 0.48 1.23 -1.64 0.02 0.00 0.00 175.26 176.23 1k4m s MET 141 N -2.82 2.64 0.18 1.61 -1.94 -1.26 -4.93 119.30 112.79 1k4m s MET 141 Ca 0.28 1.85 -0.11 0.00 -1.71 0.00 0.00 55.69 56.00 1k4m s MET 141 Cb -0.10 -1.88 0.09 0.00 2.01 0.00 0.00 34.83 34.95 1k4m s MET 141 CO 0.20 -1.47 1.76 0.00 -0.01 0.00 0.00 175.02 175.50 1k4m h ALA 142 N 0.46 0.82 -2.94 3.03 0.00 -1.96 -3.44 119.26 115.23 1k4m h ALA 142 Ca -0.50 -0.15 -0.67 0.00 0.00 0.00 0.00 54.91 53.60 1k4m h ALA 142 Cb 1.31 -0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.74 1k4m h ALA 142 CO 0.53 0.40 -0.54 -0.65 0.00 0.00 0.00 179.25 178.99 1k4m s GLN 143 N -5.66 3.23 0.29 0.00 -0.21 -1.26 -5.03 119.66 111.02 1k4m s GLN 143 Ca -0.13 -0.28 0.03 0.00 0.02 0.00 0.00 55.36 55.00 1k4m s GLN 143 Cb 0.13 -3.00 0.64 0.00 1.00 0.00 0.00 33.01 31.78 1k4m s GLN 143 CO 0.79 0.73 1.80 -1.35 -2.12 0.00 0.00 175.29 175.14 1k4m h PRO 144 N 4.84 0.82 -0.54 2.91 0.11 -2.00 -1.95 132.00 136.18 1k4m h PRO 144 Ca -0.52 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.46 1k4m h PRO 144 Cb 1.21 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1k4m h PRO 144 CO 0.58 0.54 0.04 -0.56 -0.21 0.00 0.00 178.00 178.40 1k4m h GLN 145 N 0.85 0.90 0.00 1.05 3.07 -1.97 -1.76 115.11 117.25 1k4m h GLN 145 Ca 0.54 -0.24 -0.00 0.00 0.09 0.00 0.00 58.65 59.04 1k4m h GLN 145 Cb 0.71 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 28.16 1k4m h GLN 145 CO -0.33 0.87 -0.05 1.88 0.09 0.00 0.00 178.83 181.29 1k4m h TYR 146 N 0.84 0.00 -0.28 0.06 0.99 -1.82 -2.34 116.97 114.42 1k4m h TYR 146 Ca 0.17 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.74 1k4m h TYR 146 Cb 0.44 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.17 1k4m h TYR 146 CO 0.03 0.01 -0.41 0.37 -0.00 0.00 0.00 178.16 178.16 1k4m h GLN 147 N 0.00 0.78 -0.57 4.88 5.75 -0.97 -1.57 115.11 123.41 1k4m h GLN 147 Ca -0.00 -0.46 -0.01 0.00 -0.15 0.00 0.00 58.65 58.03 1k4m h GLN 147 Cb 1.01 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.57 1k4m h GLN 147 CO 0.00 1.09 0.31 0.37 -2.65 0.00 0.00 178.83 177.95 1k4m h GLN 148 N 0.54 0.81 -0.20 1.69 5.75 -1.19 -0.25 115.11 122.26 1k4m h GLN 148 Ca 0.03 -0.10 0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1k4m h GLN 148 Cb 1.01 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 29.36 1k4m h GLN 148 CO 0.10 0.62 -0.07 2.35 -2.65 0.00 0.00 178.83 179.18 1k4m h TRP 149 N 0.78 -0.16 -0.02 3.99 7.01 -1.27 0.26 115.95 126.53 1k4m h TRP 149 Ca 0.20 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.25 1k4m h TRP 149 Cb 0.06 0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.18 1k4m h TRP 149 CO -0.01 -0.11 -0.21 1.25 -2.79 0.00 0.00 178.44 176.57 1k4m h LEU 150 N -0.03 -0.61 -1.64 0.65 5.85 -0.73 -1.90 115.31 116.90 1k4m h LEU 150 Ca 0.10 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 1k4m h LEU 150 Cb 0.19 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1k4m h LEU 150 CO -0.22 -0.27 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.09 1k4m h GLU 151 N -0.32 0.00 0.00 1.25 5.08 -0.70 0.92 114.58 120.81 1k4m h GLU 151 Ca 0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1k4m h GLU 151 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1k4m h GLU 151 CO -0.21 0.18 -0.24 -0.44 -1.00 0.00 0.00 179.01 177.31 1k4m h ASP 152 N 0.00 0.00 -0.00 1.42 3.32 0.31 -3.18 116.42 118.28 1k4m h ASP 152 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1k4m h ASP 152 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1k4m h ASP 152 CO 0.02 0.24 -0.26 1.41 -1.72 0.00 0.00 179.24 178.93 1k4m n HIS 153 N -4.06 0.00 -1.92 4.55 8.25 -0.71 -5.04 115.22 116.29 1k4m n HIS 153 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 1k4m n HIS 153 Cb 0.31 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.40 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 -1.83 4.36 0.05 2.41 2.96 0.24 -0.92 118.68 125.94 1k4m s LEU 154 Ca 0.06 2.86 0.04 0.00 -0.22 0.00 0.00 54.13 56.87 1k4m s LEU 154 Cb 0.07 -3.65 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 1k4m s LEU 154 CO 0.26 -0.76 -0.12 0.28 -1.32 0.00 0.00 176.35 174.70 1k4m s THR 155 N -0.70 0.90 -0.94 3.68 -1.32 -0.39 -4.83 115.64 112.05 1k4m s THR 155 Ca 0.55 -1.05 0.14 0.00 -1.21 0.00 0.00 61.69 60.12 1k4m s THR 155 Cb -0.44 -0.87 -0.09 0.00 -1.51 0.00 0.00 72.50 69.60 1k4m s THR 155 CO 0.54 -0.16 0.67 1.41 -2.21 0.00 0.00 174.62 174.87 1k4m n HIS 156 N 1.68 0.00 -3.58 9.09 8.25 -1.26 -4.53 115.22 124.87 1k4m n HIS 156 Ca -0.20 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.86 1k4m n HIS 156 Cb 0.55 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.57 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 -2.05 5.68 0.01 0.41 3.84 -1.26 -4.94 114.94 116.63 1k4m s ASN 157 Ca 0.08 -2.11 0.01 0.00 0.21 0.00 0.00 52.86 51.05 1k4m s ASN 157 Cb 0.11 -1.99 0.05 0.00 -0.55 0.00 0.00 41.25 38.87 1k4m s ASN 157 CO 0.47 -0.63 0.98 -0.81 -2.79 0.00 0.00 177.10 174.33 1k4m n PRO 158 N 4.62 0.01 0.04 0.43 -0.04 -1.26 -1.00 135.00 137.80 1k4m n PRO 158 Ca -0.04 0.46 0.02 0.00 -0.04 0.00 0.00 63.50 63.90 1k4m n PRO 158 Cb 0.41 -1.57 0.36 0.00 -0.04 0.00 0.00 33.50 32.66 1k4m n PRO 158 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1k4m h GLU 159 N 0.00 0.43 -0.71 0.54 4.81 -1.96 -1.66 114.58 116.02 1k4m h GLU 159 Ca 0.00 -0.08 0.21 0.00 -0.13 0.00 0.00 59.36 59.36 1k4m h GLU 159 Cb 0.10 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1k4m h GLU 159 CO 0.00 0.45 0.51 -0.44 -0.73 0.00 0.00 179.01 178.80 1k4m h ASP 160 N 0.42 0.01 0.40 1.04 3.45 -1.50 0.40 116.42 120.63 1k4m h ASP 160 Ca 0.09 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.51 1k4m h ASP 160 Cb 0.26 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 1k4m h ASP 160 CO 0.01 0.00 -0.20 -0.07 -1.57 0.00 0.00 179.24 177.41 1k4m h LEU 161 N 0.01 0.00 0.00 1.55 3.38 -1.48 -2.47 115.31 116.29 1k4m h LEU 161 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1k4m h LEU 161 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1k4m h LEU 161 CO -0.01 0.20 -1.16 1.41 0.09 0.00 0.00 178.44 178.97 1k4m n HIS 162 N -3.82 0.55 1.05 1.13 8.25 0.10 -4.32 115.22 118.16 1k4m n HIS 162 Ca -0.02 0.16 0.11 0.00 -0.26 0.00 0.00 57.72 57.72 1k4m n HIS 162 Cb 0.30 -0.70 0.09 0.00 1.12 0.00 0.00 29.99 30.80 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 -2.34 1.13 -4.14 2.41 4.77 -0.95 -4.89 117.00 112.97 1k4m n LEU 163 Ca 0.00 -0.39 -0.14 0.00 -0.03 0.00 0.00 56.01 55.45 1k4m n LEU 163 Cb 0.51 -0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 41.41 1k4m n LEU 163 CO 0.41 0.24 -0.41 -1.10 -1.33 0.00 0.00 177.39 175.20 1k4m s GLN 164 N -2.78 0.76 0.41 3.23 -0.21 -1.06 -4.99 119.66 115.01 1k4m s GLN 164 Ca 0.14 -1.06 0.23 0.00 0.02 0.00 0.00 55.36 54.69 1k4m s GLN 164 Cb 0.17 -0.44 0.38 0.00 1.00 0.00 0.00 33.01 34.12 1k4m s GLN 164 CO 0.69 0.07 1.61 -1.00 -2.12 0.00 0.00 175.29 174.54 1k4m h PRO 165 N 3.78 0.00 0.00 2.91 0.13 -1.86 -3.41 132.00 133.55 1k4m h PRO 165 Ca -0.37 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.84 1k4m h PRO 165 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1k4m h PRO 165 CO 0.50 0.00 0.32 0.00 -0.23 0.00 0.00 178.00 178.60 1k4m n ALA 166 N -2.07 -1.52 0.00 -0.56 0.00 -1.26 -1.55 120.51 113.55 1k4m n ALA 166 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1k4m n ALA 166 Cb 0.52 0.38 0.00 0.00 0.00 0.00 0.00 19.45 20.36 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 -0.41 0.85 3.68 0.00 0.00 -0.62 -4.83 105.19 103.86 1k4m n GLY 167 Ca -0.02 0.00 -0.28 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 -0.99 2.51 -0.14 1.61 -0.14 -1.26 -4.83 119.74 116.49 1k4m s LYS 168 Ca 0.00 -0.96 0.00 0.00 -1.36 0.00 0.00 55.97 53.65 1k4m s LYS 168 Cb 0.00 -2.47 -0.01 0.00 -1.68 0.00 0.00 37.83 33.68 1k4m s LYS 168 CO 0.00 0.50 -0.14 0.42 -0.76 0.00 0.00 175.35 175.37 1k4m s ILE 169 N -1.52 2.85 -0.12 2.17 1.01 -0.10 -0.78 121.20 124.72 1k4m s ILE 169 Ca 0.27 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1k4m s ILE 169 Cb -0.10 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 40.18 1k4m s ILE 169 CO 0.19 0.52 -0.11 -0.47 0.00 0.00 0.00 174.94 175.06 1k4m s TYR 170 N 0.61 1.76 -0.79 3.97 5.04 -0.06 -1.26 117.35 126.62 1k4m s TYR 170 Ca -0.08 -0.89 -0.20 0.00 -2.44 0.00 0.00 57.07 53.46 1k4m s TYR 170 Cb -0.16 -1.35 0.10 0.00 0.35 0.00 0.00 41.96 40.90 1k4m s TYR 170 CO 0.03 -0.53 1.02 -0.51 -1.34 0.00 0.00 175.55 174.22 1k4m s LEU 171 N 1.41 4.80 0.55 6.97 1.43 -1.26 -1.22 118.68 131.36 1k4m s LEU 171 Ca 0.01 -1.55 -0.19 0.00 -1.03 0.00 0.00 54.13 51.37 1k4m s LEU 171 Cb -0.13 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.63 1k4m s LEU 171 CO -0.07 -1.23 1.13 0.00 0.23 0.00 0.00 176.35 176.42 1k4m s ALA 172 N 3.27 2.68 -1.23 4.21 0.00 -0.12 -4.94 121.76 125.63 1k4m s ALA 172 Ca 0.26 0.82 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 1k4m s ALA 172 Cb -0.12 -3.36 0.18 0.00 0.00 0.00 0.00 23.12 19.82 1k4m s ALA 172 CO 0.00 -0.82 1.61 0.39 0.00 0.00 0.00 175.76 176.94 1k4m n GLU 173 N -1.37 3.55 -3.97 0.00 1.02 -1.26 -4.00 120.64 114.60 1k4m n GLU 173 Ca 0.12 -3.78 -0.22 0.00 -0.02 0.00 0.00 57.16 53.25 1k4m n GLU 173 Cb 0.51 -2.94 -0.02 0.00 -0.02 0.00 0.00 31.44 28.97 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 0.66 5.24 0.53 2.62 -4.23 -1.26 -5.02 115.64 114.18 1k4m s THR 174 Ca 0.40 -0.96 -0.22 0.00 -1.18 0.00 0.00 61.69 59.73 1k4m s THR 174 Cb 0.03 -3.83 -0.05 0.00 1.34 0.00 0.00 72.50 69.99 1k4m s THR 174 CO 0.01 -0.30 1.29 -2.16 -0.54 0.00 0.00 174.62 172.92 1k4m s PRO 175 N -3.87 3.26 0.03 3.99 0.04 -1.26 -4.59 135.00 132.59 1k4m s PRO 175 Ca 0.34 2.07 -0.16 0.00 0.04 0.00 0.00 61.00 63.30 1k4m s PRO 175 Cb -0.09 -2.25 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 1k4m s PRO 175 CO 0.29 -1.05 0.45 -1.58 0.04 0.00 0.00 177.00 175.16 1k4m s TRP 176 N -1.39 3.74 -0.08 0.56 0.51 -1.26 -4.69 118.94 116.33 1k4m s TRP 176 Ca 0.71 1.06 -0.03 0.00 -2.12 0.00 0.00 56.10 55.72 1k4m s TRP 176 Cb -0.36 -2.34 0.04 0.00 -0.81 0.00 0.00 33.47 30.00 1k4m s TRP 176 CO 0.43 0.62 0.13 -0.06 -0.51 0.00 0.00 176.95 177.56 1k4m s PHE 177 N -1.11 -0.10 -1.47 -1.98 0.40 -1.26 -5.01 117.98 107.45 1k4m s PHE 177 Ca 0.26 0.46 -0.13 0.00 -0.60 0.00 0.00 56.93 56.92 1k4m s PHE 177 Cb -0.17 -0.34 0.03 0.00 0.51 0.00 0.00 43.02 43.04 1k4m s PHE 177 CO 0.15 -0.27 2.32 0.09 0.70 0.00 0.00 175.22 178.21 1k4m n ASN 178 N 5.32 4.73 -3.97 1.36 3.02 -1.26 -4.71 115.26 119.74 1k4m n ASN 178 Ca -0.04 -2.82 -0.17 0.00 -0.03 0.00 0.00 54.58 51.52 1k4m n ASN 178 Cb 0.50 -1.63 -0.15 0.00 -0.61 0.00 0.00 39.78 37.89 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 2.81 0.51 0.04 2.41 1.01 -1.26 -5.12 121.20 121.60 1k4m s ILE 179 Ca 0.50 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.85 1k4m s ILE 179 Cb 0.14 -0.44 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 1k4m s ILE 179 CO -0.08 0.15 0.04 -0.94 0.00 0.00 0.00 174.94 174.11 1k4m s SER 180 N -0.09 0.27 0.34 3.58 1.04 -1.26 -4.80 113.70 112.78 1k4m s SER 180 Ca 0.02 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 55.82 1k4m s SER 180 Cb -0.03 0.20 0.60 0.00 0.10 0.00 0.00 66.02 66.89 1k4m s SER 180 CO -0.00 -0.50 1.93 0.00 0.98 0.00 0.00 173.24 175.65 1k4m h ALA 181 N 3.70 1.43 -0.28 5.32 0.00 -1.87 -2.68 119.26 124.88 1k4m h ALA 181 Ca -0.33 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1k4m h ALA 181 Cb 1.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1k4m h ALA 181 CO 0.53 0.43 0.16 1.15 0.00 0.00 0.00 179.25 181.52 1k4m h THR 182 N 0.68 1.11 -0.57 0.00 2.02 -1.96 -0.59 112.91 113.61 1k4m h THR 182 Ca 0.16 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 1k4m h THR 182 Cb 0.15 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1k4m h THR 182 CO -0.02 0.11 0.14 0.40 0.37 0.00 0.00 175.52 176.53 1k4m h ILE 183 N 0.34 1.23 -0.20 3.11 2.04 -1.92 -1.81 117.51 120.31 1k4m h ILE 183 Ca 0.10 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1k4m h ILE 183 Cb 0.04 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1k4m h ILE 183 CO -0.02 0.32 0.05 0.40 0.00 0.00 0.00 178.15 178.90 1k4m h ILE 184 N 0.85 1.20 -0.62 -0.67 2.04 -1.16 0.90 117.51 120.05 1k4m h ILE 184 Ca 0.18 -0.65 0.05 0.00 1.00 0.00 0.00 64.86 65.45 1k4m h ILE 184 Cb 0.31 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 1k4m h ILE 184 CO -0.00 0.20 0.34 0.03 0.00 0.00 0.00 178.15 178.72 1k4m h ARG 185 N 0.13 0.61 -0.22 2.37 3.08 -0.91 -0.45 114.38 119.00 1k4m h ARG 185 Ca 0.06 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 1k4m h ARG 185 Cb 0.26 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1k4m h ARG 185 CO 0.00 0.40 -0.49 0.93 -1.07 0.00 0.00 179.97 179.75 1k4m h GLU 186 N 0.63 0.58 -0.56 0.04 5.08 -1.18 -1.69 114.58 117.48 1k4m h GLU 186 Ca 0.28 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1k4m h GLU 186 Cb 0.17 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1k4m h GLU 186 CO -0.18 0.94 0.18 0.00 -1.00 0.00 0.00 179.01 178.95 1k4m h ARG 187 N 0.46 0.87 -0.47 2.33 3.08 -0.16 0.78 114.38 121.27 1k4m h ARG 187 Ca 0.02 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 1k4m h ARG 187 Cb 1.02 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 1k4m h ARG 187 CO 0.09 0.79 0.24 -0.07 -1.07 0.00 0.00 179.97 179.95 1k4m h LEU 188 N 0.79 0.61 -1.39 3.04 3.38 -1.02 0.17 115.31 120.87 1k4m h LEU 188 Ca 0.18 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1k4m h LEU 188 Cb 0.28 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1k4m h LEU 188 CO -0.01 0.55 0.11 -0.61 0.09 0.00 0.00 178.44 178.57 1k4m h GLN 189 N 0.62 0.51 -0.09 1.13 5.75 -1.00 -1.84 115.11 120.20 1k4m h GLN 189 Ca 0.16 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1k4m h GLN 189 Cb 0.09 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1k4m h GLN 189 CO -0.02 0.46 0.00 0.09 -2.65 0.00 0.00 178.83 176.71 1k4m n ASN 190 N -4.36 1.32 -1.65 -0.69 3.02 0.24 -4.93 115.26 108.21 1k4m n ASN 190 Ca 0.02 -1.56 -0.13 0.00 -0.03 0.00 0.00 54.58 52.88 1k4m n ASN 190 Cb 0.17 -0.05 0.01 0.00 -0.61 0.00 0.00 39.78 39.29 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 1.10 -0.11 3.75 7.41 0.00 -0.04 -5.01 105.19 112.28 1k4m n GLY 191 Ca 0.17 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.89 2.95 0.32 1.61 2.02 0.40 -5.02 118.70 116.09 1k4m s GLU 192 Ca 0.08 -0.56 -0.29 0.00 0.02 0.00 0.00 54.97 54.22 1k4m s GLU 192 Cb -0.03 -2.78 -0.10 0.00 0.10 0.00 0.00 34.13 31.31 1k4m s GLU 192 CO 0.10 0.63 1.35 0.45 0.02 0.00 0.00 175.26 177.81 1k4m s SER 193 N -1.79 6.69 -0.04 -0.19 0.15 -1.26 -4.25 113.70 113.01 1k4m s SER 193 Ca 0.23 2.74 0.08 0.00 0.70 0.00 0.00 55.95 59.69 1k4m s SER 193 Cb -0.12 -2.65 0.17 0.00 -1.71 0.00 0.00 66.02 61.72 1k4m s SER 193 CO 0.14 -0.61 1.13 0.00 1.20 0.00 0.00 173.24 175.10 1k4m h GLU 195 N 0.64 0.24 -0.62 0.00 4.81 -1.91 -0.27 114.58 117.47 1k4m h GLU 195 Ca 0.00 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 1k4m h GLU 195 Cb 0.73 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.00 1k4m h GLU 195 CO 0.02 0.16 0.12 -0.25 -0.73 0.00 0.00 179.01 178.33 1k4m n ASP 196 N -4.59 5.13 -0.01 1.04 8.00 -1.26 -4.46 116.55 120.41 1k4m n ASP 196 Ca 0.29 -3.09 0.01 0.00 0.71 0.00 0.00 54.79 52.71 1k4m n ASP 196 Cb 1.11 -0.70 -0.04 0.00 -0.02 0.00 0.00 41.12 41.47 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 0.14 0.00 -3.76 0.64 4.77 -0.11 -4.99 117.00 113.68 1k4m n LEU 197 Ca 0.33 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.22 1k4m n LEU 197 Cb 1.26 0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 42.33 1k4m n LEU 197 CO 0.36 0.04 0.09 -1.48 -1.33 0.00 0.00 177.39 175.07 1k4m s LEU 198 N -3.65 0.67 0.37 2.23 2.34 -1.24 -1.23 118.68 118.16 1k4m s LEU 198 Ca -0.02 -0.53 -0.26 0.00 0.06 0.00 0.00 54.13 53.39 1k4m s LEU 198 Cb 0.02 1.60 -0.12 0.00 -0.56 0.00 0.00 46.19 47.14 1k4m s LEU 198 CO 0.19 -0.87 1.04 -2.65 -1.06 0.00 0.00 176.35 173.00 1k4m n PRO 199 N -0.21 1.45 -0.16 1.48 -0.02 -1.26 -4.79 135.00 131.48 1k4m n PRO 199 Ca -0.13 0.51 -0.04 0.00 -2.02 0.00 0.00 63.50 61.83 1k4m n PRO 199 Cb 0.63 -2.02 0.06 0.00 -0.02 0.00 0.00 33.50 32.15 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 1.79 0.42 -0.96 -0.52 4.22 -1.98 -1.50 114.58 116.04 1k4m h GLU 200 Ca -0.43 -0.03 0.15 0.00 0.08 0.00 0.00 59.36 59.13 1k4m h GLU 200 Cb 1.33 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.40 1k4m h GLU 200 CO 0.58 0.28 0.61 -1.35 -2.18 0.00 0.00 179.01 176.95 1k4m h PRO 201 N 0.43 0.79 -0.10 0.92 0.11 -1.91 0.16 132.00 132.41 1k4m h PRO 201 Ca 0.23 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 1k4m h PRO 201 Cb 0.19 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 1k4m h PRO 201 CO -0.19 0.52 -0.09 0.28 -0.21 0.00 0.00 178.00 178.31 1k4m h VAL 202 N 0.82 1.35 -0.25 3.15 2.07 -1.69 -1.61 116.25 120.09 1k4m h VAL 202 Ca 0.49 -1.22 0.03 0.00 0.82 0.00 0.00 66.70 66.82 1k4m h VAL 202 Cb 0.68 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 1k4m h VAL 202 CO -0.26 0.34 0.08 0.25 0.02 0.00 0.00 177.57 178.00 1k4m h LEU 203 N -0.17 0.09 -0.34 2.57 6.46 -0.55 0.13 115.31 123.49 1k4m h LEU 203 Ca 0.02 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.83 1k4m h LEU 203 Cb 0.59 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.51 1k4m h LEU 203 CO 0.02 0.08 0.16 0.74 -0.62 0.00 0.00 178.44 178.82 1k4m h THR 204 N 0.19 0.97 -0.66 1.05 2.02 -0.73 -0.61 112.91 115.14 1k4m h THR 204 Ca 0.11 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1k4m h THR 204 Cb 0.08 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1k4m h THR 204 CO -0.12 0.06 0.43 0.22 0.37 0.00 0.00 175.52 176.48 1k4m h TYR 205 N 0.33 0.84 -0.61 3.16 3.20 -0.80 0.84 116.97 123.93 1k4m h TYR 205 Ca 0.14 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.10 1k4m h TYR 205 Cb 0.07 -0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.00 1k4m h TYR 205 CO -0.11 0.54 0.29 0.82 -1.64 0.00 0.00 178.16 178.07 1k4m h ILE 206 N 0.90 0.88 -0.30 1.81 2.04 -0.22 0.01 117.51 122.63 1k4m h ILE 206 Ca 0.24 -0.18 -0.15 0.00 1.00 0.00 0.00 64.86 65.77 1k4m h ILE 206 Cb -0.08 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1k4m h ILE 206 CO -0.05 0.10 -0.40 0.78 0.00 0.00 0.00 178.15 178.58 1k4m h ASN 207 N 0.53 0.86 -0.97 1.72 2.35 -0.54 -1.08 115.58 118.46 1k4m h ASN 207 Ca 0.29 -0.50 0.06 0.00 -0.55 0.00 0.00 56.30 55.60 1k4m h ASN 207 Cb 0.26 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 38.32 1k4m h ASN 207 CO -0.23 1.19 0.62 1.56 -1.65 0.00 0.00 177.43 178.93 1k4m h GLN 208 N 0.55 1.10 -0.00 0.81 4.20 -0.30 -1.91 115.11 119.56 1k4m h GLN 208 Ca 0.03 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1k4m h GLN 208 Cb 0.99 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1k4m h GLN 208 CO 0.09 0.73 -0.19 1.04 -0.67 0.00 0.00 178.83 179.83 1k4m n GLN 209 N -4.53 0.36 -1.13 1.46 1.13 -0.06 -4.92 117.38 109.69 1k4m n GLN 209 Ca 0.15 -0.13 -0.05 0.00 -1.94 0.00 0.00 57.00 55.03 1k4m n GLN 209 Cb 0.18 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.01 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 1.39 0.67 3.68 1.08 0.00 -0.68 -4.97 105.19 106.37 1k4m n GLY 210 Ca 0.10 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.51 5.02 -1.42 0.99 4.77 -0.50 -3.04 117.00 122.31 1k4m n LEU 211 Ca -0.05 0.84 -0.16 0.00 -0.03 0.00 0.00 56.01 56.62 1k4m n LEU 211 Cb 0.26 -1.49 -0.05 0.00 -2.33 0.00 0.00 43.42 39.82 1k4m n LEU 211 CO 0.07 -1.29 -0.17 -1.22 -1.33 0.00 0.00 177.39 173.45 1k4m n TYR 212 N -1.71 -0.26 -0.74 -1.77 0.53 -1.26 -4.86 117.16 107.09 1k4m n TYR 212 Ca 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.02 1k4m n TYR 212 Cb 0.47 -2.93 0.00 0.00 -1.03 0.00 0.00 39.34 35.85 1k4m n TYR 212 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38