#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4c s ILE 2 N 0.00 2.58 -0.13 3.17 1.01 -0.62 -4.94 121.20 122.27 1s4c s ILE 2 Ca 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.83 1s4c s ILE 2 Cb 0.00 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.44 1s4c s ILE 2 CO 0.00 0.55 -0.21 -0.63 0.00 0.00 0.00 174.94 174.65 1s4c s ILE 3 N 0.19 2.21 0.00 2.92 -1.09 -1.26 -0.71 121.20 123.46 1s4c s ILE 3 Ca -0.11 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.36 1s4c s ILE 3 Cb -0.16 -1.88 0.00 0.00 -1.58 0.00 0.00 42.46 38.84 1s4c s ILE 3 CO 0.06 0.55 0.00 -0.24 -1.23 0.00 0.00 174.94 174.08 1s4c n SER 4 N 3.84 0.00 -3.94 3.58 2.88 -0.37 -4.98 113.62 114.62 1s4c n SER 4 Ca -0.19 -0.08 -0.15 0.00 -1.33 0.00 0.00 58.87 57.12 1s4c n SER 4 Cb 0.52 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.84 1s4c n SER 4 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1s4c s SER 5 N 1.46 0.47 0.46 -3.46 0.15 -1.26 -0.28 113.70 111.24 1s4c s SER 5 Ca 0.00 -0.10 0.31 0.00 0.70 0.00 0.00 55.95 56.87 1s4c s SER 5 Cb 0.00 -0.04 1.46 0.00 -1.71 0.00 0.00 66.02 65.73 1s4c s SER 5 CO 0.00 0.03 1.94 -0.07 1.20 0.00 0.00 173.24 176.34 1s4c h LEU 6 N 5.96 0.00 -0.27 3.45 3.38 -0.47 -2.71 115.31 124.65 1s4c h LEU 6 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1s4c h LEU 6 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1s4c h LEU 6 CO 0.50 0.00 -0.55 1.07 0.09 0.00 0.00 178.44 179.55 1s4c n THR 7 N -2.72 0.00 -2.33 0.22 5.66 -1.26 -4.88 114.28 108.96 1s4c n THR 7 Ca -0.00 -0.07 -0.40 0.00 -3.05 0.00 0.00 64.05 60.53 1s4c n THR 7 Cb 0.19 0.61 -0.03 0.00 -1.55 0.00 0.00 70.33 69.55 1s4c n THR 7 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1s4c s ASN 8 N -2.79 6.93 0.29 1.09 0.02 -1.02 -4.92 114.94 114.54 1s4c s ASN 8 Ca 0.15 2.40 0.03 0.00 -1.02 0.00 0.00 52.86 54.41 1s4c s ASN 8 Cb 0.18 -2.63 0.61 0.00 0.02 0.00 0.00 41.25 39.43 1s4c s ASN 8 CO 0.67 -0.39 1.83 -0.65 0.02 0.00 0.00 177.10 178.58 1s4c h PRO 9 N 3.36 0.91 0.00 -0.60 0.11 -1.90 -3.24 132.00 130.64 1s4c h PRO 9 Ca -0.48 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 1s4c h PRO 9 Cb 1.22 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 1s4c h PRO 9 CO 0.65 0.60 -0.53 0.09 -0.21 0.00 0.00 178.00 178.60 1s4c n ASN 10 N -4.64 1.65 0.13 -2.05 3.02 -1.26 -4.85 115.26 107.26 1s4c n ASN 10 Ca 0.20 -3.65 0.09 0.00 -0.03 0.00 0.00 54.58 51.19 1s4c n ASN 10 Cb 0.40 -0.50 0.47 0.00 -0.61 0.00 0.00 39.78 39.55 1s4c n ASN 10 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1s4c n PHE 11 N -0.95 0.60 0.71 3.10 1.16 -1.22 -2.53 117.46 118.33 1s4c n PHE 11 Ca 0.17 0.30 0.13 0.00 -1.87 0.00 0.00 57.45 56.18 1s4c n PHE 11 Cb 0.74 -0.98 0.38 0.00 -1.61 0.00 0.00 39.48 38.01 1s4c n PHE 11 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1s4c n LYS 12 N -2.10 0.20 -1.68 3.97 5.02 -1.26 -4.69 118.16 117.62 1s4c n LYS 12 Ca -0.00 0.13 -0.45 0.00 -2.02 0.00 0.00 58.31 55.96 1s4c n LYS 12 Cb 0.06 -1.70 -0.04 0.00 -0.02 0.00 0.00 35.03 33.34 1s4c n LYS 12 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1s4c n VAL 13 N -2.03 0.54 -0.10 -0.18 0.31 -1.05 -1.39 118.33 114.43 1s4c n VAL 13 Ca 0.05 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1s4c n VAL 13 Cb 0.41 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 1s4c n VAL 13 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s4c n GLY 14 N 4.32 2.66 3.74 2.92 0.00 -1.26 -5.00 105.19 112.57 1s4c n GLY 14 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1s4c n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s4c s LEU 15 N 0.00 4.47 0.48 0.99 1.43 -0.48 -5.01 118.68 120.56 1s4c s LEU 15 Ca 0.00 2.16 -0.23 0.00 -1.03 0.00 0.00 54.13 55.03 1s4c s LEU 15 Cb 0.00 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.54 1s4c s LEU 15 CO 0.00 -0.30 1.21 -2.65 0.23 0.00 0.00 176.35 174.84 1s4c n PRO 16 N 2.46 1.64 -0.18 1.29 -0.02 -1.26 -4.64 135.00 134.28 1s4c n PRO 16 Ca 0.04 0.59 -0.01 0.00 -2.02 0.00 0.00 63.50 62.10 1s4c n PRO 16 Cb 0.45 -2.36 0.08 0.00 -0.02 0.00 0.00 33.50 31.65 1s4c n PRO 16 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1s4c h LYS 17 N 1.59 0.10 -0.92 -0.52 1.63 -1.93 -0.12 116.57 116.40 1s4c h LYS 17 Ca -0.48 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.33 1s4c h LYS 17 Cb 1.31 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.87 1s4c h LYS 17 CO 0.57 0.06 0.61 0.28 -3.45 0.00 0.00 179.45 177.53 1s4c h VAL 18 N 0.10 1.22 -0.17 2.00 2.07 -1.90 0.24 116.25 119.79 1s4c h VAL 18 Ca 0.29 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1s4c h VAL 18 Cb 0.46 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1s4c h VAL 18 CO -0.50 0.22 0.01 0.40 0.02 0.00 0.00 177.57 177.73 1s4c h ILE 19 N 1.23 1.24 -0.45 4.57 2.04 -1.57 -0.20 117.51 124.38 1s4c h ILE 19 Ca 0.35 -0.81 0.09 0.00 1.00 0.00 0.00 64.86 65.48 1s4c h ILE 19 Cb -0.11 1.44 -0.08 0.00 -0.74 0.00 0.00 36.82 37.33 1s4c h ILE 19 CO -0.09 0.24 -0.08 0.00 0.00 0.00 0.00 178.15 178.23 1s4c h ALA 20 N 0.79 0.34 -0.37 1.87 0.00 -0.62 -0.93 119.26 120.33 1s4c h ALA 20 Ca 0.05 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1s4c h ALA 20 Cb 0.36 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1s4c h ALA 20 CO 0.01 -0.43 0.20 0.93 0.00 0.00 0.00 179.25 179.96 1s4c h GLU 21 N 0.03 0.52 -0.40 0.00 5.08 -0.31 0.57 114.58 120.08 1s4c h GLU 21 Ca 0.22 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.60 1s4c h GLU 21 Cb 0.33 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.41 1s4c h GLU 21 CO -0.44 0.43 -0.11 0.28 -1.00 0.00 0.00 179.01 178.17 1s4c h VAL 22 N 0.48 0.59 -0.52 3.13 2.07 -0.72 -1.09 116.25 120.18 1s4c h VAL 22 Ca 0.13 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.56 1s4c h VAL 22 Cb 0.06 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1s4c h VAL 22 CO -0.02 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.54 1s4c h ASP 24 N 0.84 -0.61 -0.78 0.00 3.32 -0.68 -1.70 116.42 116.81 1s4c h ASP 24 Ca 0.15 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.34 1s4c h ASP 24 Cb 0.54 0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.26 1s4c h ASP 24 CO 0.03 -0.30 0.46 0.22 -1.72 0.00 0.00 179.24 177.93 1s4c h TYR 25 N -0.40 0.84 -0.22 4.55 3.20 -0.89 -1.65 116.97 122.41 1s4c h TYR 25 Ca 0.03 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 1s4c h TYR 25 Cb 0.43 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1s4c h TYR 25 CO -0.21 0.40 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.58 1s4c h LEU 26 N 0.82 0.31 0.00 2.82 4.07 -0.95 -1.05 115.31 121.34 1s4c h LEU 26 Ca 0.35 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.26 1s4c h LEU 26 Cb 0.22 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.88 1s4c h LEU 26 CO -0.19 0.42 0.00 0.59 -1.08 0.00 0.00 178.44 178.18 1s4c n ASN 27 N -4.30 0.00 0.01 -0.43 3.02 -0.63 -1.79 115.26 111.15 1s4c n ASN 27 Ca 0.00 -0.24 0.12 0.00 -0.03 0.00 0.00 54.58 54.43 1s4c n ASN 27 Cb 0.24 -0.18 0.32 0.00 -0.61 0.00 0.00 39.78 39.54 1s4c n ASN 27 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1s4c n THR 28 N -1.18 0.05 -4.07 3.41 -1.04 -0.40 -4.96 114.28 106.10 1s4c n THR 28 Ca 0.12 -0.04 -0.22 0.00 -2.04 0.00 0.00 64.05 61.87 1s4c n THR 28 Cb 0.13 0.04 -0.04 0.00 -1.82 0.00 0.00 70.33 68.64 1s4c n THR 28 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1s4c s LEU 29 N -3.18 3.86 -1.04 -4.42 1.02 -0.74 -5.01 118.68 109.18 1s4c s LEU 29 Ca 0.11 -0.23 -0.16 0.00 0.02 0.00 0.00 54.13 53.87 1s4c s LEU 29 Cb 0.17 -2.40 0.16 0.00 0.02 0.00 0.00 46.19 44.14 1s4c s LEU 29 CO 0.67 -0.07 1.21 -0.62 0.02 0.00 0.00 176.35 177.56 1s4c s ASP 30 N -3.88 6.85 0.47 2.29 -1.08 -1.26 -4.85 116.67 115.21 1s4c s ASP 30 Ca 0.34 -2.55 0.19 0.00 -0.52 0.00 0.00 52.55 50.01 1s4c s ASP 30 Cb -0.08 -2.37 1.19 0.00 -1.46 0.00 0.00 42.92 40.20 1s4c s ASP 30 CO 0.26 -0.86 1.97 -0.07 0.52 0.00 0.00 175.17 176.98 1s4c h LEU 31 N 9.72 0.22 -0.71 -1.34 4.07 -1.95 -0.36 115.31 124.96 1s4c h LEU 31 Ca 0.21 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1s4c h LEU 31 Cb 0.96 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1s4c h LEU 31 CO 1.12 0.12 0.00 -3.20 -1.08 0.00 0.00 178.44 175.41 1s4c n ASN 32 N -4.44 0.61 -0.00 -0.43 2.85 -1.26 -2.55 115.26 110.04 1s4c n ASN 32 Ca 0.11 0.66 0.07 0.00 -0.11 0.00 0.00 54.58 55.31 1s4c n ASN 32 Cb 0.52 -0.79 -0.09 0.00 1.24 0.00 0.00 39.78 40.66 1s4c n ASN 32 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s4c n ALA 33 N -1.76 3.27 -1.58 5.20 0.00 -0.17 -4.96 120.51 120.51 1s4c n ALA 33 Ca 0.02 -0.36 -0.51 0.00 0.00 0.00 0.00 53.44 52.59 1s4c n ALA 33 Cb 0.21 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.12 1s4c n ALA 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s4c n LEU 34 N -1.59 1.48 -4.77 0.00 4.77 -1.04 -4.93 117.00 110.92 1s4c n LEU 34 Ca 0.00 1.13 -0.39 0.00 -0.03 0.00 0.00 56.01 56.73 1s4c n LEU 34 Cb 0.27 -1.19 -0.02 0.00 -2.33 0.00 0.00 43.42 40.16 1s4c n LEU 34 CO 0.28 -1.22 0.89 -1.61 -1.33 0.00 0.00 177.39 174.39 1s4c s GLU 35 N 0.06 4.08 0.29 3.23 2.02 -1.26 -5.02 118.70 122.09 1s4c s GLU 35 Ca 0.79 1.96 -0.29 0.00 0.02 0.00 0.00 54.97 57.45 1s4c s GLU 35 Cb -0.92 -2.76 -0.13 0.00 0.10 0.00 0.00 34.13 30.42 1s4c s GLU 35 CO 0.50 -0.34 1.26 0.09 0.02 0.00 0.00 175.26 176.79 1s4c n ASN 36 N 0.20 2.36 0.00 -0.19 3.02 -1.26 -4.67 115.26 114.72 1s4c n ASN 36 Ca 0.04 1.18 0.00 0.00 -0.03 0.00 0.00 54.58 55.76 1s4c n ASN 36 Cb 0.45 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 1s4c n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s4c n GLY 37 N 1.40 0.49 3.70 7.41 0.00 0.23 -4.94 105.19 113.48 1s4c n GLY 37 Ca 0.09 -2.23 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 1s4c n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s4c s ARG 38 N -0.54 4.28 -0.13 1.61 3.52 -1.26 -0.95 118.95 125.47 1s4c s ARG 38 Ca 0.00 0.37 0.02 0.00 -0.13 0.00 0.00 55.73 55.99 1s4c s ARG 38 Cb 0.00 -3.48 -0.00 0.00 -1.56 0.00 0.00 34.95 29.91 1s4c s ARG 38 CO 0.00 0.07 -0.18 -1.01 -0.81 0.00 0.00 175.30 173.36 1s4c s HIS 39 N 0.94 2.70 0.14 5.12 3.76 0.28 -4.98 115.29 123.26 1s4c s HIS 39 Ca 0.24 -0.99 -0.22 0.00 -0.15 0.00 0.00 55.06 53.94 1s4c s HIS 39 Cb -0.15 -1.81 -0.08 0.00 1.11 0.00 0.00 32.58 31.65 1s4c s HIS 39 CO 0.09 -0.41 0.69 -0.51 -0.85 0.00 0.00 174.74 173.75 1s4c s ASP 40 N 0.56 7.21 -0.10 1.40 1.01 -1.26 -1.06 116.67 124.43 1s4c s ASP 40 Ca -0.11 1.46 0.07 0.00 0.71 0.00 0.00 52.55 54.68 1s4c s ASP 40 Cb -0.16 -2.43 -0.11 0.00 1.01 0.00 0.00 42.92 41.23 1s4c s ASP 40 CO 0.04 0.20 0.00 -0.38 0.21 0.00 0.00 175.17 175.24 1s4c n ILE 41 N 1.47 0.65 -2.41 0.77 5.41 0.01 -4.95 119.36 120.31 1s4c n ILE 41 Ca -0.07 -0.36 0.00 0.00 1.00 0.00 0.00 62.75 63.32 1s4c n ILE 41 Cb 0.50 -0.79 0.00 0.00 -0.71 0.00 0.00 39.64 38.64 1s4c n ILE 41 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1s4c n ASN 42 N -2.45 0.00 0.12 4.38 2.04 -1.00 -4.97 115.26 113.37 1s4c n ASN 42 Ca -0.16 -0.12 -0.01 0.00 -0.44 0.00 0.00 54.58 53.85 1s4c n ASN 42 Cb 0.79 0.00 0.24 0.00 -2.53 0.00 0.00 39.78 38.27 1s4c n ASN 42 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 1s4c h ASP 43 N 0.00 0.17 0.00 0.53 5.19 -2.04 -3.34 116.42 116.93 1s4c h ASP 43 Ca 0.00 -0.08 -0.33 0.00 -0.62 0.00 0.00 57.03 56.00 1s4c h ASP 43 Cb 0.00 -0.05 -0.06 0.00 0.18 0.00 0.00 39.33 39.40 1s4c h ASP 43 CO 0.00 0.60 -2.26 0.00 -3.12 0.00 0.00 179.24 174.46 1s4c n GLN 44 N -4.00 0.90 -4.13 3.56 1.13 -1.26 -4.98 117.38 108.60 1s4c n GLN 44 Ca -0.02 0.04 -0.34 0.00 -1.94 0.00 0.00 57.00 54.74 1s4c n GLN 44 Cb 0.49 -1.46 -0.10 0.00 0.11 0.00 0.00 30.24 29.27 1s4c n GLN 44 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1s4c s ILE 45 N -2.44 4.50 0.30 5.09 1.01 -1.25 -4.65 121.20 123.75 1s4c s ILE 45 Ca -0.16 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.38 1s4c s ILE 45 Cb 0.06 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 1s4c s ILE 45 CO 0.67 0.47 0.13 -0.72 0.00 0.00 0.00 174.94 175.49 1s4c s TYR 46 N 0.36 1.62 0.05 3.97 1.13 -1.21 -0.81 117.35 122.46 1s4c s TYR 46 Ca 0.01 -1.26 -0.04 0.00 -1.41 0.00 0.00 57.07 54.36 1s4c s TYR 46 Cb -0.13 -0.93 -0.02 0.00 -1.10 0.00 0.00 41.96 39.78 1s4c s TYR 46 CO 0.01 -0.39 0.07 0.00 -2.51 0.00 0.00 175.55 172.73 1s4c s MET 47 N -3.90 0.62 -0.08 -3.49 0.23 -0.22 -0.72 119.30 111.73 1s4c s MET 47 Ca 0.35 -0.90 0.01 0.00 -1.03 0.00 0.00 55.69 54.13 1s4c s MET 47 Cb 0.06 0.24 -0.02 0.00 -1.53 0.00 0.00 34.83 33.57 1s4c s MET 47 CO 0.16 -0.15 -0.11 -0.80 -2.03 0.00 0.00 175.02 172.09 1s4c s ASN 48 N -2.41 4.30 0.06 -1.18 0.01 -0.74 -0.56 114.94 114.42 1s4c s ASN 48 Ca -0.01 -0.16 0.09 0.00 -0.71 0.00 0.00 52.86 52.07 1s4c s ASN 48 Cb 0.02 -1.21 -0.03 0.00 0.41 0.00 0.00 41.25 40.43 1s4c s ASN 48 CO -0.07 0.29 -0.26 0.54 -1.51 0.00 0.00 177.10 176.10 1s4c s VAL 49 N -0.40 2.08 0.19 1.60 0.11 -0.13 -1.04 120.40 122.82 1s4c s VAL 49 Ca 0.05 -1.42 -0.21 0.00 -2.93 0.00 0.00 61.98 57.47 1s4c s VAL 49 Cb -0.12 -1.80 0.05 0.00 -1.53 0.00 0.00 36.38 32.98 1s4c s VAL 49 CO 0.02 0.30 0.60 0.00 -3.33 0.00 0.00 175.10 172.69 1s4c s MET 50 N -1.36 1.41 -0.59 1.54 0.23 -0.36 -0.60 119.30 119.56 1s4c s MET 50 Ca 0.11 -0.67 0.05 0.00 -1.03 0.00 0.00 55.69 54.15 1s4c s MET 50 Cb -0.10 0.58 0.19 0.00 -1.53 0.00 0.00 34.83 33.96 1s4c s MET 50 CO 0.03 -0.62 0.49 0.39 -2.03 0.00 0.00 175.02 173.28 1s4c n GLU 51 N -0.38 1.39 -2.80 3.16 1.02 -1.26 -1.83 120.64 119.93 1s4c n GLU 51 Ca -0.13 -4.06 -0.26 0.00 -0.02 0.00 0.00 57.16 52.70 1s4c n GLU 51 Cb 0.63 -2.03 0.01 0.00 -0.02 0.00 0.00 31.44 30.02 1s4c n GLU 51 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1s4c s PRO 52 N -1.17 3.31 -0.24 3.49 0.04 -1.23 -4.76 135.00 134.43 1s4c s PRO 52 Ca 0.30 -0.09 -0.10 0.00 0.04 0.00 0.00 61.00 61.15 1s4c s PRO 52 Cb 0.02 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1s4c s PRO 52 CO -0.15 -0.25 0.14 -1.83 0.04 0.00 0.00 177.00 174.95 1s4c s GLU 53 N -4.67 3.95 0.25 4.56 -1.05 -1.26 -2.04 118.70 118.44 1s4c s GLU 53 Ca 0.47 -0.33 -0.27 0.00 -0.15 0.00 0.00 54.97 54.69 1s4c s GLU 53 Cb -0.10 -3.49 -0.16 0.00 -0.44 0.00 0.00 34.13 29.94 1s4c s GLU 53 CO 0.42 -0.02 0.57 0.25 0.95 0.00 0.00 175.26 177.43 1s4c n THR 54 N 4.49 1.86 -4.44 1.83 -2.24 0.31 -4.83 114.28 111.26 1s4c n THR 54 Ca -0.15 -0.50 -0.22 0.00 -2.27 0.00 0.00 64.05 60.91 1s4c n THR 54 Cb 0.52 -0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 68.45 1s4c n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s4c s ALA 55 N -1.10 2.44 0.15 6.98 0.00 0.39 -4.31 121.76 126.31 1s4c s ALA 55 Ca 0.63 -1.69 -0.31 0.00 0.00 0.00 0.00 51.96 50.59 1s4c s ALA 55 Cb -0.84 0.80 -0.08 0.00 0.00 0.00 0.00 23.12 22.99 1s4c s ALA 55 CO 0.57 -0.36 1.32 -1.21 0.00 0.00 0.00 175.76 176.08 1s4c s GLU 56 N -3.84 4.38 0.41 0.00 0.41 -1.26 -0.39 118.70 118.40 1s4c s GLU 56 Ca 0.32 2.01 0.17 0.00 -0.41 0.00 0.00 54.97 57.05 1s4c s GLU 56 Cb 0.06 -3.24 1.06 0.00 -1.78 0.00 0.00 34.13 30.23 1s4c s GLU 56 CO 0.15 -0.31 1.86 -1.35 -0.49 0.00 0.00 175.26 175.12 1s4c h PRO 57 N 6.10 0.42 0.00 0.39 0.11 -1.93 -0.77 132.00 136.33 1s4c h PRO 57 Ca -0.43 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1s4c h PRO 57 Cb 1.21 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1s4c h PRO 57 CO 0.81 0.28 -0.20 0.77 -0.21 0.00 0.00 178.00 179.45 1s4c h SER 58 N 0.43 0.00 0.14 -2.05 0.02 -1.95 -2.99 113.55 107.16 1s4c h SER 58 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1s4c h SER 58 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1s4c h SER 58 CO -0.18 0.20 0.00 -1.54 -1.14 0.00 0.00 176.83 174.17 1s4c n SER 59 N -3.31 0.00 -3.95 3.07 3.41 -0.29 -4.84 113.62 107.70 1s4c n SER 59 Ca 0.01 -0.37 -0.09 0.00 -0.26 0.00 0.00 58.87 58.16 1s4c n SER 59 Cb 0.45 -0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 64.21 1s4c n SER 59 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1s4c s LYS 60 N -2.23 0.87 0.13 4.33 2.47 -1.13 -5.03 119.74 119.16 1s4c s LYS 60 Ca 0.25 -1.10 0.01 0.00 -1.56 0.00 0.00 55.97 53.57 1s4c s LYS 60 Cb 0.13 0.31 -0.04 0.00 -1.46 0.00 0.00 37.83 36.78 1s4c s LYS 60 CO 0.26 -0.27 0.29 0.15 0.16 0.00 0.00 175.35 175.94 1s4c s LYS 61 N -3.91 3.46 0.76 4.03 -0.14 -1.26 -4.91 119.74 117.77 1s4c s LYS 61 Ca 0.10 -0.49 -0.11 0.00 -1.36 0.00 0.00 55.97 54.10 1s4c s LYS 61 Cb 0.05 -2.96 0.05 0.00 -1.68 0.00 0.00 37.83 33.29 1s4c s LYS 61 CO -0.07 0.52 1.09 0.00 -0.76 0.00 0.00 175.35 176.13 1s4c s ALA 62 N -1.70 2.28 0.06 5.17 0.00 0.15 -4.81 121.76 122.90 1s4c s ALA 62 Ca 0.36 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.64 1s4c s ALA 62 Cb -0.12 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 1s4c s ALA 62 CO 0.28 -1.70 -0.06 -1.83 0.00 0.00 0.00 175.76 172.45 1s4c s GLU 63 N -4.77 0.59 0.10 0.00 -1.05 -0.77 -1.53 118.70 111.26 1s4c s GLU 63 Ca 0.62 -0.97 -0.03 0.00 -0.15 0.00 0.00 54.97 54.44 1s4c s GLU 63 Cb -0.18 -0.12 -0.03 0.00 -0.44 0.00 0.00 34.13 33.36 1s4c s GLU 63 CO 0.54 -0.01 0.08 -0.48 0.95 0.00 0.00 175.26 176.34 1s4c s LEU 64 N -2.18 1.84 0.25 1.83 2.34 0.35 -1.67 118.68 121.43 1s4c s LEU 64 Ca -0.02 -1.00 0.11 0.00 0.06 0.00 0.00 54.13 53.28 1s4c s LEU 64 Cb -0.03 0.51 -0.05 0.00 -0.56 0.00 0.00 46.19 46.07 1s4c s LEU 64 CO -0.03 -0.71 -0.20 -1.00 -1.06 0.00 0.00 176.35 173.35 1s4c s HIS 65 N -3.96 2.21 -0.10 3.48 3.76 -1.26 0.01 115.29 119.43 1s4c s HIS 65 Ca 0.14 -0.37 0.07 0.00 -0.15 0.00 0.00 55.06 54.76 1s4c s HIS 65 Cb 0.07 -1.00 -0.11 0.00 1.11 0.00 0.00 32.58 32.64 1s4c s HIS 65 CO -0.04 0.62 -0.00 0.72 -0.85 0.00 0.00 174.74 175.18 1s4c n HIS 66 N -0.34 0.00 -0.04 1.40 -0.00 -1.26 -1.83 115.22 113.14 1s4c n HIS 66 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.63 1s4c n HIS 66 Cb 0.59 -0.49 -0.10 0.00 -0.00 0.00 0.00 29.99 29.99 1s4c n HIS 66 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1s4c n GLU 67 N -2.50 1.32 -4.25 -0.41 -0.58 -1.26 -4.84 120.64 108.12 1s4c n GLU 67 Ca -0.18 -0.05 -0.31 0.00 -0.42 0.00 0.00 57.16 56.20 1s4c n GLU 67 Cb 0.80 -1.33 -0.09 0.00 -0.57 0.00 0.00 31.44 30.25 1s4c n GLU 67 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1s4c s TYR 68 N -2.57 2.96 0.38 -0.32 1.51 -1.26 -1.32 117.35 116.73 1s4c s TYR 68 Ca -0.06 -0.02 -0.08 0.00 -1.01 0.00 0.00 57.07 55.91 1s4c s TYR 68 Cb 0.06 -1.58 -0.05 0.00 -0.11 0.00 0.00 41.96 40.28 1s4c s TYR 68 CO 0.55 0.44 0.70 -0.48 -1.11 0.00 0.00 175.55 175.65 1s4c s LEU 69 N -1.91 3.87 -0.12 -1.29 0.05 0.36 -4.10 118.68 115.55 1s4c s LEU 69 Ca 0.22 0.95 -0.02 0.00 0.05 0.00 0.00 54.13 55.33 1s4c s LEU 69 Cb -0.11 -3.82 -0.03 0.00 -2.05 0.00 0.00 46.19 40.17 1s4c s LEU 69 CO 0.13 -0.36 -0.04 -1.81 -0.55 0.00 0.00 176.35 173.72 1s4c s ASP 70 N -3.35 4.85 -0.41 1.48 1.11 -0.50 -1.73 116.67 118.12 1s4c s ASP 70 Ca 0.48 -0.04 0.02 0.00 0.18 0.00 0.00 52.55 53.19 1s4c s ASP 70 Cb -0.10 -1.56 0.11 0.00 1.07 0.00 0.00 42.92 42.44 1s4c s ASP 70 CO 0.33 0.26 0.15 -0.69 1.18 0.00 0.00 175.17 176.41 1s4c s VAL 71 N -0.21 2.64 -0.04 -1.27 1.01 -0.04 -1.59 120.40 120.90 1s4c s VAL 71 Ca 0.04 -2.56 -0.27 0.00 0.00 0.00 0.00 61.98 59.19 1s4c s VAL 71 Cb -0.13 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1s4c s VAL 71 CO 0.02 -0.68 0.84 -1.10 0.00 0.00 0.00 175.10 174.19 1s4c s GLN 72 N 0.61 4.49 -0.11 2.72 -0.21 -0.31 -0.66 119.66 126.20 1s4c s GLN 72 Ca 0.12 1.15 0.03 0.00 0.02 0.00 0.00 55.36 56.69 1s4c s GLN 72 Cb -0.21 -3.46 0.00 0.00 1.00 0.00 0.00 33.01 30.34 1s4c s GLN 72 CO -0.05 -0.01 -0.22 0.14 -2.12 0.00 0.00 175.29 173.03 1s4c s VAL 73 N 0.96 1.94 0.22 1.09 -7.23 -0.60 -0.88 120.40 115.90 1s4c s VAL 73 Ca 0.45 -0.93 -0.29 0.00 -1.81 0.00 0.00 61.98 59.39 1s4c s VAL 73 Cb -0.19 -1.70 -0.09 0.00 0.56 0.00 0.00 36.38 34.97 1s4c s VAL 73 CO 0.23 0.53 0.92 -0.22 -0.31 0.00 0.00 175.10 176.25 1s4c s LEU 74 N 0.54 4.63 -0.10 1.32 2.96 -1.07 -1.77 118.68 125.19 1s4c s LEU 74 Ca -0.15 1.90 -0.03 0.00 -0.22 0.00 0.00 54.13 55.63 1s4c s LEU 74 Cb -0.17 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.90 1s4c s LEU 74 CO 0.05 0.14 -0.12 -0.38 -1.32 0.00 0.00 176.35 174.73 1s4c n ILE 75 N 1.63 0.55 -3.77 6.68 5.41 0.36 0.44 119.36 130.66 1s4c n ILE 75 Ca -0.02 -0.16 -0.13 0.00 1.00 0.00 0.00 62.75 63.44 1s4c n ILE 75 Cb 0.47 -1.42 -0.10 0.00 -0.71 0.00 0.00 39.64 37.89 1s4c n ILE 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s4c s ARG 76 N -2.18 0.52 0.00 0.38 1.04 -0.68 -4.58 118.95 113.45 1s4c s ARG 76 Ca -0.14 0.05 0.00 0.00 -1.04 0.00 0.00 55.73 54.61 1s4c s ARG 76 Cb 0.05 0.24 0.00 0.00 -2.04 0.00 0.00 34.95 33.20 1s4c s ARG 76 CO 0.19 -0.12 0.00 0.41 -0.04 0.00 0.00 175.30 175.74 1s4c n GLY 77 N 1.98 -0.72 3.07 3.88 0.00 -1.26 -0.90 105.19 111.24 1s4c n GLY 77 Ca -0.18 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 1s4c n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s4c s THR 78 N 0.00 0.02 -0.01 2.61 2.01 -1.26 -4.17 115.64 114.84 1s4c s THR 78 Ca 0.00 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1s4c s THR 78 Cb 0.00 -0.30 0.01 0.00 0.01 0.00 0.00 72.50 72.22 1s4c s THR 78 CO 0.00 -0.11 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.12 1s4c s GLU 79 N -0.32 0.16 -0.03 4.92 2.12 -0.95 -4.74 118.70 119.86 1s4c s GLU 79 Ca -0.04 -0.01 -0.19 0.00 0.36 0.00 0.00 54.97 55.09 1s4c s GLU 79 Cb -0.03 -0.23 -0.05 0.00 0.26 0.00 0.00 34.13 34.08 1s4c s GLU 79 CO 0.01 -0.02 0.55 -0.80 -0.54 0.00 0.00 175.26 174.45 1s4c s ASN 80 N 0.31 6.89 -0.12 -1.70 0.01 -0.88 0.16 114.94 119.61 1s4c s ASN 80 Ca -0.03 1.06 0.00 0.00 -0.71 0.00 0.00 52.86 53.18 1s4c s ASN 80 Cb -0.05 -2.33 0.02 0.00 0.41 0.00 0.00 41.25 39.30 1s4c s ASN 80 CO -0.01 0.10 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.94 1s4c s ILE 81 N -0.07 1.25 0.06 0.60 1.01 -0.04 -1.05 121.20 122.97 1s4c s ILE 81 Ca 0.29 -0.45 -0.25 0.00 0.00 0.00 0.00 60.65 60.24 1s4c s ILE 81 Cb -0.17 -1.21 -0.06 0.00 0.01 0.00 0.00 42.46 41.03 1s4c s ILE 81 CO 0.15 0.40 0.78 -1.61 0.00 0.00 0.00 174.94 174.66 1s4c s GLU 82 N 1.43 4.52 0.15 2.79 2.02 -0.78 -0.72 118.70 128.11 1s4c s GLU 82 Ca 0.01 1.10 0.01 0.00 0.02 0.00 0.00 54.97 56.11 1s4c s GLU 82 Cb -0.13 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 1s4c s GLU 82 CO -0.07 0.31 0.01 0.14 0.02 0.00 0.00 175.26 175.67 1s4c s VAL 83 N -0.18 0.55 -0.04 2.63 -7.23 0.18 -0.85 120.40 115.46 1s4c s VAL 83 Ca 0.39 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1s4c s VAL 83 Cb -0.21 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.69 1s4c s VAL 83 CO 0.24 -0.52 -0.10 -0.83 -0.31 0.00 0.00 175.10 173.58 1s4c s GLY 84 N -3.13 0.62 -0.01 2.32 0.00 -0.94 -1.30 107.32 104.87 1s4c s GLY 84 Ca 0.22 -0.32 0.19 0.00 0.00 0.00 0.00 44.72 44.82 1s4c s GLY 84 CO 0.02 0.07 0.65 0.00 0.00 0.00 0.00 173.10 173.84 1s4c n ALA 85 N 3.60 3.74 -2.14 3.20 0.00 -1.26 -4.15 120.51 123.51 1s4c n ALA 85 Ca -0.21 -0.50 -0.39 0.00 0.00 0.00 0.00 53.44 52.33 1s4c n ALA 85 Cb 0.53 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 19.24 1s4c n ALA 85 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1s4c s THR 86 N -3.02 4.56 0.29 0.00 -4.23 -1.26 -4.99 115.64 106.99 1s4c s THR 86 Ca 0.01 1.47 -0.30 0.00 -1.18 0.00 0.00 61.69 61.69 1s4c s THR 86 Cb 0.14 -4.02 -0.12 0.00 1.34 0.00 0.00 72.50 69.83 1s4c s THR 86 CO 0.79 0.53 1.54 0.00 -0.54 0.00 0.00 174.62 176.95 1s4c n TYR 87 N 1.69 2.71 -1.91 3.99 9.36 -1.26 -4.89 117.16 126.85 1s4c n TYR 87 Ca -0.08 0.31 -0.32 0.00 3.32 0.00 0.00 57.90 61.14 1s4c n TYR 87 Cb 0.50 -2.56 0.01 0.00 -0.63 0.00 0.00 39.34 36.66 1s4c n TYR 87 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1s4c s PRO 88 N -0.63 3.39 -0.88 2.98 0.04 -1.26 -4.98 135.00 133.66 1s4c s PRO 88 Ca 0.64 0.96 -0.25 0.00 0.04 0.00 0.00 61.00 62.39 1s4c s PRO 88 Cb -0.53 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.00 1s4c s PRO 88 CO 0.50 -0.74 1.35 1.21 0.04 0.00 0.00 177.00 179.37 1s4c s ASN 89 N -3.52 6.33 0.64 6.66 3.84 -1.26 -4.87 114.94 122.76 1s4c s ASN 89 Ca 0.59 -0.96 0.36 0.00 0.21 0.00 0.00 52.86 53.06 1s4c s ASN 89 Cb -0.13 -2.56 2.01 0.00 -0.55 0.00 0.00 41.25 40.02 1s4c s ASN 89 CO 0.46 -1.66 2.20 -0.07 -2.79 0.00 0.00 177.10 175.24 1s4c h LEU 90 N 12.85 0.00 -2.02 3.21 3.38 -1.97 -2.07 115.31 128.69 1s4c h LEU 90 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1s4c h LEU 90 Cb 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1s4c h LEU 90 CO 1.35 0.00 -0.10 0.77 0.09 0.00 0.00 178.44 180.55 1s4c h SER 91 N 0.00 0.00 -0.19 -0.43 4.64 -2.01 0.23 113.55 115.79 1s4c h SER 91 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1s4c h SER 91 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1s4c h SER 91 CO -0.00 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.35 1s4c n LYS 92 N -3.76 1.72 -3.58 4.77 5.02 -0.78 -4.90 118.16 116.65 1s4c n LYS 92 Ca -0.02 -1.08 -0.37 0.00 -2.02 0.00 0.00 58.31 54.81 1s4c n LYS 92 Cb 0.20 -1.37 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 1s4c n LYS 92 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1s4c s TYR 93 N -1.76 3.58 0.98 2.13 1.51 0.79 -4.74 117.35 119.86 1s4c s TYR 93 Ca 0.31 0.73 -0.11 0.00 -1.01 0.00 0.00 57.07 56.99 1s4c s TYR 93 Cb 0.16 -2.25 0.16 0.00 -0.11 0.00 0.00 41.96 39.92 1s4c s TYR 93 CO 0.24 0.48 0.94 0.39 -1.11 0.00 0.00 175.55 176.49 1s4c n GLU 94 N 2.65 -0.88 -1.66 -0.62 1.02 0.25 -4.90 120.64 116.51 1s4c n GLU 94 Ca -0.14 -0.20 -0.42 0.00 -0.02 0.00 0.00 57.16 56.37 1s4c n GLU 94 Cb 0.53 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.73 1s4c n GLU 94 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1s4c n ASP 95 N -3.77 2.08 -4.77 1.62 8.00 -1.26 -4.30 116.55 114.15 1s4c n ASP 95 Ca 0.09 1.14 -0.41 0.00 0.71 0.00 0.00 54.79 56.32 1s4c n ASP 95 Cb 0.53 -1.42 -0.02 0.00 -0.02 0.00 0.00 41.12 40.20 1s4c n ASP 95 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1s4c s TYR 96 N -1.16 2.90 -0.33 1.24 5.04 -1.26 -4.66 117.35 119.13 1s4c s TYR 96 Ca 0.59 1.29 -0.10 0.00 -2.44 0.00 0.00 57.07 56.42 1s4c s TYR 96 Cb -0.58 -3.80 0.00 0.00 0.35 0.00 0.00 41.96 37.94 1s4c s TYR 96 CO 0.60 -2.30 0.16 1.21 -1.34 0.00 0.00 175.55 173.87 1s4c s ASN 97 N -0.29 5.55 0.16 4.32 3.84 0.68 -4.98 114.94 124.23 1s4c s ASN 97 Ca 0.51 -0.67 0.07 0.00 0.21 0.00 0.00 52.86 52.99 1s4c s ASN 97 Cb -0.42 -1.99 -0.06 0.00 -0.55 0.00 0.00 41.25 38.22 1s4c s ASN 97 CO 0.55 -0.24 1.36 -0.33 -2.79 0.00 0.00 177.10 175.65 1s4c h GLU 98 N 8.36 0.02 0.49 0.43 5.08 -1.94 0.22 114.58 127.24 1s4c h GLU 98 Ca -0.30 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 1s4c h GLU 98 Cb 1.13 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1s4c h GLU 98 CO 0.63 0.91 -0.24 0.00 -1.00 0.00 0.00 179.01 179.31 1s4c h ALA 99 N 1.08 -0.66 -0.18 3.43 0.00 -1.97 -3.31 119.26 117.64 1s4c h ALA 99 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1s4c h ALA 99 Cb 1.60 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1s4c h ALA 99 CO 0.12 -0.70 0.00 -0.25 0.00 0.00 0.00 179.25 178.42 1s4c n ASP 100 N -5.25 2.21 -3.31 0.00 8.00 -1.23 -4.99 116.55 111.97 1s4c n ASP 100 Ca -0.10 -1.77 -0.16 0.00 0.71 0.00 0.00 54.79 53.46 1s4c n ASP 100 Cb 0.31 -0.11 0.07 0.00 -0.02 0.00 0.00 41.12 41.37 1s4c n ASP 100 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1s4c n ASP 101 N 0.69 -5.40 -3.87 -2.24 2.03 0.74 -5.02 116.55 103.48 1s4c n ASP 101 Ca 0.17 -0.69 -0.10 0.00 0.52 0.00 0.00 54.79 54.69 1s4c n ASP 101 Cb 0.43 -5.15 -0.06 0.00 -0.72 0.00 0.00 41.12 35.62 1s4c n ASP 101 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1s4c s TYR 102 N -3.39 0.19 0.03 -0.67 -0.85 -0.96 -4.20 117.35 107.50 1s4c s TYR 102 Ca 0.34 -0.55 0.04 0.00 -0.52 0.00 0.00 57.07 56.38 1s4c s TYR 102 Cb -0.05 0.09 -0.02 0.00 0.38 0.00 0.00 41.96 42.37 1s4c s TYR 102 CO 0.74 -0.76 -0.11 -0.65 -1.52 0.00 0.00 175.55 173.25 1s4c s GLN 103 N -3.92 0.76 0.21 -3.49 -0.21 0.10 -0.23 119.66 112.88 1s4c s GLN 103 Ca 0.13 -0.66 0.10 0.00 0.02 0.00 0.00 55.36 54.95 1s4c s GLN 103 Cb 0.02 -0.71 -0.04 0.00 1.00 0.00 0.00 33.01 33.28 1s4c s GLN 103 CO -0.03 0.17 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.66 1s4c s LEU 104 N -1.06 2.76 -0.10 2.90 1.43 -1.26 -0.50 118.68 122.85 1s4c s LEU 104 Ca -0.01 -0.75 -0.27 0.00 -1.03 0.00 0.00 54.13 52.07 1s4c s LEU 104 Cb -0.07 -1.42 0.06 0.00 0.03 0.00 0.00 46.19 44.79 1s4c s LEU 104 CO 0.01 0.09 0.64 0.00 0.23 0.00 0.00 176.35 177.32 1s4c h ALA 106 N 3.64 1.13 -2.53 0.00 0.00 -1.85 0.42 119.26 120.07 1s4c h ALA 106 Ca -0.28 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 1s4c h ALA 106 Cb 1.15 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.74 1s4c h ALA 106 CO 0.31 0.24 -0.57 -0.51 0.00 0.00 0.00 179.25 178.72 1s4c s ASP 107 N -6.20 0.27 -0.17 0.00 1.01 -1.26 -4.46 116.67 105.86 1s4c s ASP 107 Ca -0.01 -0.67 -0.03 0.00 0.71 0.00 0.00 52.55 52.55 1s4c s ASP 107 Cb 0.12 0.22 -0.02 0.00 1.01 0.00 0.00 42.92 44.25 1s4c s ASP 107 CO 0.62 -0.54 -0.06 -0.63 0.21 0.00 0.00 175.17 174.77 1s4c s ILE 108 N -3.00 3.57 0.15 0.77 1.01 -1.26 -4.89 121.20 117.55 1s4c s ILE 108 Ca -0.02 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 1s4c s ILE 108 Cb 0.01 -2.57 -0.07 0.00 0.01 0.00 0.00 42.46 39.84 1s4c s ILE 108 CO -0.06 0.48 1.20 -1.81 0.00 0.00 0.00 174.94 174.74 1s4c s ASP 109 N 0.69 7.09 -1.44 3.58 1.01 -1.26 -3.55 116.67 122.78 1s4c s ASP 109 Ca -0.03 2.17 -0.10 0.00 0.71 0.00 0.00 52.55 55.30 1s4c s ASP 109 Cb -0.15 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.24 1s4c s ASP 109 CO 0.02 -0.39 0.97 0.47 0.21 0.00 0.00 175.17 176.45 1s4c n ASP 110 N 2.89 -4.28 -4.76 0.27 8.00 -1.26 -4.65 116.55 112.76 1s4c n ASP 110 Ca 0.06 -0.73 -0.35 0.00 0.71 0.00 0.00 54.79 54.47 1s4c n ASP 110 Cb 0.45 -4.19 0.03 0.00 -0.02 0.00 0.00 41.12 37.38 1s4c n ASP 110 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1s4c s LYS 111 N -6.38 3.04 0.29 -1.24 -2.85 -1.23 -4.51 119.74 106.85 1s4c s LYS 111 Ca 0.49 1.65 0.04 0.00 -1.00 0.00 0.00 55.97 57.16 1s4c s LYS 111 Cb -0.24 -1.96 -0.03 0.00 -2.06 0.00 0.00 37.83 33.54 1s4c s LYS 111 CO 0.80 -1.11 0.21 -0.59 0.10 0.00 0.00 175.35 174.77 1s4c s PHE 112 N -1.83 1.55 -0.15 1.78 -0.71 -0.42 -4.95 117.98 113.25 1s4c s PHE 112 Ca 0.73 -1.53 0.01 0.00 -1.04 0.00 0.00 56.93 55.10 1s4c s PHE 112 Cb -0.26 -0.69 0.00 0.00 -1.21 0.00 0.00 43.02 40.86 1s4c s PHE 112 CO 0.33 -0.75 -0.16 0.99 -1.34 0.00 0.00 175.22 174.29 1s4c s THR 113 N -3.69 2.56 -0.14 -4.49 2.01 -1.26 0.50 115.64 111.13 1s4c s THR 113 Ca 0.39 -0.81 -0.05 0.00 0.31 0.00 0.00 61.69 61.54 1s4c s THR 113 Cb 0.04 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 1s4c s THR 113 CO 0.21 0.52 0.05 0.54 -0.69 0.00 0.00 174.62 175.25 1s4c s VAL 114 N 0.82 4.69 -0.28 3.82 0.11 0.10 -4.92 120.40 124.74 1s4c s VAL 114 Ca -0.06 -0.09 -0.14 0.00 -2.93 0.00 0.00 61.98 58.77 1s4c s VAL 114 Cb -0.15 -3.05 -0.04 0.00 -1.53 0.00 0.00 36.38 31.61 1s4c s VAL 114 CO -0.00 0.54 0.31 -0.89 -3.33 0.00 0.00 175.10 171.73 1s4c s THR 115 N -0.30 5.22 -0.20 5.04 2.01 -1.26 -0.86 115.64 125.29 1s4c s THR 115 Ca 0.08 0.40 -0.14 0.00 0.31 0.00 0.00 61.69 62.33 1s4c s THR 115 Cb -0.12 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 1s4c s THR 115 CO 0.02 0.17 0.33 -0.04 -0.69 0.00 0.00 174.62 174.41 1s4c s MET 116 N 1.96 4.17 0.27 4.92 -1.94 0.42 -4.95 119.30 124.15 1s4c s MET 116 Ca 0.12 0.09 0.06 0.00 -1.71 0.00 0.00 55.69 54.25 1s4c s MET 116 Cb -0.16 -3.52 -0.03 0.00 2.01 0.00 0.00 34.83 33.13 1s4c s MET 116 CO 0.10 0.02 0.30 0.15 -0.01 0.00 0.00 175.02 175.58 1s4c s LYS 117 N 1.13 3.07 0.13 2.03 -0.14 -1.26 -2.24 119.74 122.45 1s4c s LYS 117 Ca 0.16 -1.00 -0.35 0.00 -1.36 0.00 0.00 55.97 53.42 1s4c s LYS 117 Cb -0.14 -2.68 -0.16 0.00 -1.68 0.00 0.00 37.83 33.17 1s4c s LYS 117 CO 0.07 0.31 1.25 -2.30 -0.76 0.00 0.00 175.35 173.92 1s4c n PRO 118 N -1.34 1.14 -0.75 -1.68 -0.02 -1.26 -1.05 135.00 130.05 1s4c n PRO 118 Ca -0.06 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1s4c n PRO 118 Cb 0.58 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1s4c n PRO 118 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1s4c n LYS 119 N 2.16 0.00 -2.10 -0.52 4.76 0.17 -4.96 118.16 117.66 1s4c n LYS 119 Ca 0.17 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.26 1s4c n LYS 119 Cb 0.21 -2.81 0.02 0.00 -1.84 0.00 0.00 35.03 30.61 1s4c n LYS 119 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1s4c s MET 120 N -0.19 3.14 0.04 1.97 -1.94 -0.21 0.30 119.30 122.40 1s4c s MET 120 Ca 0.00 1.67 -0.00 0.00 -1.71 0.00 0.00 55.69 55.64 1s4c s MET 120 Cb 0.00 -1.97 -0.03 0.00 2.01 0.00 0.00 34.83 34.84 1s4c s MET 120 CO 0.00 -1.04 -0.03 -0.59 -0.01 0.00 0.00 175.02 173.35 1s4c s PHE 121 N -1.77 0.44 -0.07 -0.03 -0.12 0.62 -2.60 117.98 114.45 1s4c s PHE 121 Ca 0.74 -0.81 0.01 0.00 -0.05 0.00 0.00 56.93 56.82 1s4c s PHE 121 Cb -0.26 -0.32 0.02 0.00 -0.63 0.00 0.00 43.02 41.83 1s4c s PHE 121 CO 0.31 -0.27 -0.10 0.00 -0.05 0.00 0.00 175.22 175.11 1s4c s ALA 122 N -2.76 1.19 -0.24 1.99 0.00 -0.06 -1.24 121.76 120.63 1s4c s ALA 122 Ca -0.03 -0.39 -0.13 0.00 0.00 0.00 0.00 51.96 51.41 1s4c s ALA 122 Cb -0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 1s4c s ALA 122 CO -0.05 -0.03 0.25 0.08 0.00 0.00 0.00 175.76 176.01 1s4c s VAL 123 N 0.94 5.29 -0.26 0.00 1.01 0.12 -1.16 120.40 126.33 1s4c s VAL 123 Ca -0.10 0.37 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 1s4c s VAL 123 Cb -0.15 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1s4c s VAL 123 CO 0.01 0.29 -0.02 -0.36 0.00 0.00 0.00 175.10 175.01 1s4c s PHE 124 N 1.33 3.09 0.76 5.22 0.08 -0.62 -1.58 117.98 126.25 1s4c s PHE 124 Ca 0.11 -1.35 -0.12 0.00 0.12 0.00 0.00 56.93 55.70 1s4c s PHE 124 Cb -0.14 -2.12 0.04 0.00 -0.57 0.00 0.00 43.02 40.23 1s4c s PHE 124 CO 0.07 -0.67 1.12 0.71 -0.10 0.00 0.00 175.22 176.34 1s4c s TYR 125 N 1.39 3.11 0.18 0.36 2.02 -1.26 -1.40 117.35 121.74 1s4c s TYR 125 Ca 0.01 1.00 -0.33 0.00 -0.37 0.00 0.00 57.07 57.38 1s4c s TYR 125 Cb -0.17 -3.19 -0.15 0.00 -0.40 0.00 0.00 41.96 38.06 1s4c s TYR 125 CO -0.02 -1.48 1.24 -2.30 -1.57 0.00 0.00 175.55 171.42 1s4c n PRO 126 N -3.19 1.40 -0.63 -1.71 -0.02 -1.26 -1.16 135.00 128.43 1s4c n PRO 126 Ca 0.07 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1s4c n PRO 126 Cb 0.58 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1s4c n PRO 126 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1s4c n TYR 127 N 1.70 0.00 -3.13 6.00 4.01 -0.76 -4.95 117.16 120.02 1s4c n TYR 127 Ca 0.14 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.45 1s4c n TYR 127 Cb 0.26 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.22 1s4c n TYR 127 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1s4c s GLU 128 N -0.37 3.29 0.31 -0.72 2.02 -0.31 -4.39 118.70 118.52 1s4c s GLU 128 Ca 0.00 -0.38 -0.28 0.00 0.02 0.00 0.00 54.97 54.33 1s4c s GLU 128 Cb 0.00 -3.94 -0.09 0.00 0.10 0.00 0.00 34.13 30.19 1s4c s GLU 128 CO 0.00 -0.97 1.08 -1.25 0.02 0.00 0.00 175.26 174.13 1s4c s PRO 129 N 2.74 4.53 -0.12 0.39 0.04 -1.26 -4.67 135.00 136.66 1s4c s PRO 129 Ca 0.22 1.71 -0.25 0.00 0.04 0.00 0.00 61.00 62.72 1s4c s PRO 129 Cb -0.14 -3.03 0.06 0.00 0.04 0.00 0.00 34.50 31.42 1s4c s PRO 129 CO 0.18 0.14 0.61 -3.38 0.04 0.00 0.00 177.00 174.60 1s4c s HIS 130 N -1.29 -0.61 -0.46 0.56 -3.43 -0.67 -2.22 115.29 107.17 1s4c s HIS 130 Ca 0.48 1.24 0.03 0.00 -0.80 0.00 0.00 55.06 56.01 1s4c s HIS 130 Cb -0.29 0.30 0.13 0.00 -1.43 0.00 0.00 32.58 31.29 1s4c s HIS 130 CO 0.37 -0.47 0.23 0.21 -2.00 0.00 0.00 174.74 173.08 1s4c s LYS 131 N -0.61 1.56 0.95 -0.38 2.20 -0.03 -1.85 119.74 121.58 1s4c s LYS 131 Ca -0.07 -2.22 -0.15 0.00 -0.36 0.00 0.00 55.97 53.17 1s4c s LYS 131 Cb -0.02 -2.76 0.17 0.00 -1.51 0.00 0.00 37.83 33.70 1s4c s LYS 131 CO 0.06 -1.12 1.22 -2.14 -0.36 0.00 0.00 175.35 173.00 1s4c s PRO 132 N 0.16 0.82 -1.15 4.03 0.02 -1.26 -1.86 135.00 135.75 1s4c s PRO 132 Ca 0.17 -0.09 -0.07 0.00 0.02 0.00 0.00 61.00 61.02 1s4c s PRO 132 Cb -0.25 -1.84 0.01 0.00 0.02 0.00 0.00 34.50 32.44 1s4c s PRO 132 CO -0.01 -2.34 0.94 0.00 -0.33 0.00 0.00 177.00 175.26 1s4c n VAL 135 N 0.23 4.27 -5.05 0.00 0.24 0.48 -2.07 118.33 116.43 1s4c n VAL 135 Ca -0.00 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 61.48 1s4c n VAL 135 Cb 0.52 -1.41 -0.14 0.00 -1.47 0.00 0.00 33.84 31.34 1s4c n VAL 135 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1s4c s VAL 136 N -1.40 2.65 -1.79 3.34 1.01 -1.22 -4.56 120.40 118.43 1s4c s VAL 136 Ca 0.78 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1s4c s VAL 136 Cb -0.40 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1s4c s VAL 136 CO 0.45 0.58 0.00 0.59 0.00 0.00 0.00 175.10 176.72 1s4c n ASN 137 N 2.54 -5.43 0.00 3.32 3.02 -1.26 -1.99 115.26 115.46 1s4c n ASN 137 Ca -0.17 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1s4c n ASN 137 Cb 0.52 -4.62 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 1s4c n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s4c n GLY 138 N -0.79 2.43 3.79 7.41 0.00 -1.26 -5.01 105.19 111.76 1s4c n GLY 138 Ca -0.22 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 1s4c n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4c s LYS 139 N 0.00 3.01 -0.14 1.61 1.02 -0.84 -5.04 119.74 119.35 1s4c s LYS 139 Ca 0.00 1.25 -0.03 0.00 0.02 0.00 0.00 55.97 57.21 1s4c s LYS 139 Cb 0.00 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 35.30 1s4c s LYS 139 CO 0.00 -1.06 -0.04 0.99 -0.92 0.00 0.00 175.35 174.31 1s4c s THR 140 N -2.49 3.84 0.03 2.17 2.01 -1.26 -3.41 115.64 116.53 1s4c s THR 140 Ca 0.64 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 62.30 1s4c s THR 140 Cb -0.18 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.65 1s4c s THR 140 CO 0.42 0.51 -0.12 -0.70 -0.69 0.00 0.00 174.62 174.04 1s4c s GLU 141 N 0.23 0.79 -0.52 4.92 2.12 -1.26 -4.92 118.70 120.05 1s4c s GLU 141 Ca -0.03 -0.68 -0.27 0.00 0.36 0.00 0.00 54.97 54.35 1s4c s GLU 141 Cb -0.14 -0.75 0.03 0.00 0.26 0.00 0.00 34.13 33.53 1s4c s GLU 141 CO 0.03 0.18 1.06 -1.59 -0.54 0.00 0.00 175.26 174.40 1s4c s LYS 142 N -1.08 3.52 0.43 4.30 0.00 -1.26 -0.53 119.74 125.11 1s4c s LYS 142 Ca -0.01 0.17 0.07 0.00 0.00 0.00 0.00 55.97 56.21 1s4c s LYS 142 Cb -0.07 -3.98 -0.03 0.00 0.00 0.00 0.00 37.83 33.75 1s4c s LYS 142 CO 0.01 -1.46 0.28 0.96 0.00 0.00 0.00 175.35 175.14 1s4c s ILE 143 N 4.31 2.39 -0.03 3.79 -4.36 -0.87 -4.88 121.20 121.56 1s4c s ILE 143 Ca 0.40 -1.53 0.07 0.00 -0.26 0.00 0.00 60.65 59.32 1s4c s ILE 143 Cb -0.09 -2.92 -0.01 0.00 1.25 0.00 0.00 42.46 40.68 1s4c s ILE 143 CO 0.26 0.00 -0.23 -0.75 0.24 0.00 0.00 174.94 174.45 1s4c s LYS 144 N -4.03 2.07 0.19 0.37 2.20 -0.08 -3.57 119.74 116.90 1s4c s LYS 144 Ca 0.43 -0.83 -0.18 0.00 -0.36 0.00 0.00 55.97 55.03 1s4c s LYS 144 Cb 0.00 -1.90 0.03 0.00 -1.51 0.00 0.00 37.83 34.46 1s4c s LYS 144 CO 0.25 0.44 0.54 -1.59 -0.36 0.00 0.00 175.35 174.63 1s4c s LYS 145 N -0.37 1.38 0.15 4.03 -2.85 -0.76 -0.49 119.74 120.84 1s4c s LYS 145 Ca 0.04 -0.82 0.04 0.00 -1.00 0.00 0.00 55.97 54.23 1s4c s LYS 145 Cb -0.11 0.53 -0.05 0.00 -2.06 0.00 0.00 37.83 36.15 1s4c s LYS 145 CO 0.01 -0.59 -0.08 -0.48 0.10 0.00 0.00 175.35 174.31 1s4c s LEU 146 N -2.86 2.46 -0.09 2.77 -0.00 -0.73 -1.22 118.68 119.02 1s4c s LEU 146 Ca 0.08 -1.05 0.01 0.00 -0.00 0.00 0.00 54.13 53.17 1s4c s LEU 146 Cb -0.01 -0.29 0.02 0.00 -0.00 0.00 0.00 46.19 45.91 1s4c s LEU 146 CO -0.04 -0.39 -0.08 -0.69 -0.00 0.00 0.00 176.35 175.16 1s4c s VAL 147 N -3.40 0.95 -0.05 1.48 1.01 -0.20 -1.56 120.40 118.64 1s4c s VAL 147 Ca 0.18 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 61.66 1s4c s VAL 147 Cb 0.03 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1s4c s VAL 147 CO 0.01 0.34 0.58 -0.69 0.00 0.00 0.00 175.10 175.34 1s4c s VAL 148 N 1.31 5.02 -0.36 2.92 1.01 0.17 -1.80 120.40 128.67 1s4c s VAL 148 Ca -0.03 1.20 -0.11 0.00 0.00 0.00 0.00 61.98 63.04 1s4c s VAL 148 Cb -0.14 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.34 1s4c s VAL 148 CO -0.03 0.36 0.21 -0.54 0.00 0.00 0.00 175.10 175.09 1s4c s LYS 149 N 0.24 3.05 -0.13 2.72 -0.14 0.10 -0.87 119.74 124.71 1s4c s LYS 149 Ca 0.31 -0.93 0.02 0.00 -1.36 0.00 0.00 55.97 54.01 1s4c s LYS 149 Cb -0.17 -3.73 -0.00 0.00 -1.68 0.00 0.00 37.83 32.25 1s4c s LYS 149 CO 0.15 -0.60 -0.19 0.08 -0.76 0.00 0.00 175.35 174.03 1s4c s VAL 150 N 1.60 2.43 0.19 3.17 1.01 -0.71 -3.34 120.40 124.75 1s4c s VAL 150 Ca 0.04 -0.87 -0.32 0.00 0.00 0.00 0.00 61.98 60.83 1s4c s VAL 150 Cb -0.18 -1.99 -0.11 0.00 0.00 0.00 0.00 36.38 34.10 1s4c s VAL 150 CO 0.07 0.54 1.69 -2.84 0.00 0.00 0.00 175.10 174.56 1s4c s PRO 151 N 0.61 4.15 0.61 2.72 0.02 -1.26 0.13 135.00 141.99 1s4c s PRO 151 Ca -0.10 2.54 0.36 0.00 0.02 0.00 0.00 61.00 63.82 1s4c s PRO 151 Cb -0.16 -3.12 2.02 0.00 0.02 0.00 0.00 34.50 33.26 1s4c s PRO 151 CO 0.03 -0.72 2.27 0.28 -0.33 0.00 0.00 177.00 178.53 1s4c h VAL 152 N 3.90 0.29 -0.97 3.83 2.07 -1.52 -1.61 116.25 122.23 1s4c h VAL 152 Ca -0.43 -0.09 0.26 0.00 0.82 0.00 0.00 66.70 67.26 1s4c h VAL 152 Cb 1.20 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.98 1s4c h VAL 152 CO 0.95 0.01 0.68 0.11 0.02 0.00 0.00 177.57 179.34 1s4c h LYS 153 N 0.00 0.16 0.00 1.57 6.56 -1.90 -1.70 116.57 121.26 1s4c h LYS 153 Ca -0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1s4c h LYS 153 Cb 0.07 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.69 1s4c h LYS 153 CO 0.00 0.10 0.00 1.28 -2.06 0.00 0.00 179.45 178.78 1s4c n LEU 154 N -4.37 0.00 -0.01 2.94 4.77 -0.60 -5.23 117.00 114.49 1s4c n LEU 154 Ca 0.21 0.25 0.16 0.00 -0.03 0.00 0.00 56.01 56.60 1s4c n LEU 154 Cb 0.94 -0.25 0.94 0.00 -2.33 0.00 0.00 43.42 42.72 1s4c n LEU 154 CO 0.35 -0.00 1.10 -0.38 -1.33 0.00 0.00 177.39 177.13