#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 2.00 -0.11 3.17 1.01 -0.77 -4.93 121.20 121.57 1s4c s ILE 2 Ca 0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 60.65 59.37 1s4c s ILE 2 Cb 0.00 -1.70 0.04 0.00 0.01 0.00 0.00 42.46 40.81 1s4c s ILE 2 CO 0.00 0.39 0.02 -0.63 0.00 0.00 0.00 174.94 174.71 1s4c s ILE 3 N -0.74 0.40 0.00 2.92 1.01 -1.26 0.65 121.20 124.18 1s4c s ILE 3 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1s4c s ILE 3 Cb -0.10 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.69 1s4c s ILE 3 CO 0.01 0.09 0.00 -0.24 0.00 0.00 0.00 174.94 174.80 1s4c n SER 4 N 5.13 0.42 -3.70 3.58 2.88 -0.15 -5.01 113.62 116.77 1s4c n SER 4 Ca -0.08 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.33 1s4c n SER 4 Cb 0.49 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.86 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 1.30 -0.50 0.00 -3.46 0.15 -1.26 -1.92 113.70 108.01 1s4c s SER 5 Ca 0.00 0.94 0.22 0.00 0.70 0.00 0.00 55.95 57.81 1s4c s SER 5 Cb 0.00 0.96 0.94 0.00 -1.71 0.00 0.00 66.02 66.21 1s4c s SER 5 CO 0.00 -0.20 1.70 0.18 1.20 0.00 0.00 173.24 176.12 1s4c n LEU 6 N 2.68 0.00 -0.23 3.45 4.77 -0.36 -2.21 117.00 125.10 1s4c n LEU 6 Ca -0.14 0.48 0.04 0.00 -0.03 0.00 0.00 56.01 56.35 1s4c n LEU 6 Cb 0.57 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1s4c n LEU 6 CO 0.11 -0.12 0.28 1.07 -1.33 0.00 0.00 177.39 177.40 1s4c n THR 7 N -1.48 0.00 -2.73 -5.08 5.66 -1.26 -4.92 114.28 104.47 1s4c n THR 7 Ca 0.06 -0.46 -0.42 0.00 -3.05 0.00 0.00 64.05 60.18 1s4c n THR 7 Cb 0.24 1.12 -0.03 0.00 -1.55 0.00 0.00 70.33 70.11 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 -0.86 7.34 0.58 1.09 0.02 -0.94 -4.94 114.94 117.23 1s4c s ASN 8 Ca 0.07 1.62 0.38 0.00 -1.02 0.00 0.00 52.86 53.92 1s4c s ASN 8 Cb 0.06 -2.56 1.87 0.00 0.02 0.00 0.00 41.25 40.64 1s4c s ASN 8 CO 0.14 -0.26 2.15 1.55 0.02 0.00 0.00 177.10 180.69 1s4c h PRO 9 N 6.81 0.00 -0.43 -0.60 0.13 -1.91 -2.39 132.00 133.62 1s4c h PRO 9 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1s4c h PRO 9 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1s4c h PRO 9 CO 0.76 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.62 1s4c n ASN 10 N -3.00 3.22 -0.10 1.44 3.02 -1.26 -4.74 115.26 113.84 1s4c n ASN 10 Ca -0.01 -1.94 0.10 0.00 -0.03 0.00 0.00 54.58 52.70 1s4c n ASN 10 Cb 0.17 -0.28 0.46 0.00 -0.61 0.00 0.00 39.78 39.52 1s4c n ASN 10 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1s4c h PHE 11 N 3.20 0.51 0.00 3.10 -5.15 -1.68 -0.67 116.94 116.25 1s4c h PHE 11 Ca 0.00 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.78 1s4c h PHE 11 Cb 0.83 -0.17 0.00 0.00 0.22 0.00 0.00 35.95 36.83 1s4c h PHE 11 CO 0.28 0.25 0.00 1.63 -2.00 0.00 0.00 178.31 178.48 1s4c n LYS 12 N -4.48 0.00 -1.96 6.09 5.02 -1.26 -4.63 118.16 116.94 1s4c n LYS 12 Ca 0.10 0.37 -0.42 0.00 -2.02 0.00 0.00 58.31 56.33 1s4c n LYS 12 Cb 0.32 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 1s4c n LYS 12 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1s4c s VAL 13 N -3.01 3.50 0.00 -0.18 1.01 -0.26 -1.65 120.40 119.81 1s4c s VAL 13 Ca 0.04 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1s4c s VAL 13 Cb 0.05 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1s4c s VAL 13 CO 0.14 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1s4c n GLY 14 N 4.46 1.20 3.72 4.51 0.00 -1.26 -5.01 105.19 112.81 1s4c n GLY 14 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 4.44 0.43 0.99 1.43 -0.66 -4.97 118.68 120.33 1s4c s LEU 15 Ca 0.00 1.89 -0.25 0.00 -1.03 0.00 0.00 54.13 54.74 1s4c s LEU 15 Cb 0.00 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.53 1s4c s LEU 15 CO 0.00 -0.24 1.13 -2.65 0.23 0.00 0.00 176.35 174.82 1s4c n PRO 16 N 3.18 1.59 -0.17 1.29 -0.02 -1.26 -4.73 135.00 134.88 1s4c n PRO 16 Ca 0.05 0.57 -0.02 0.00 -2.02 0.00 0.00 63.50 62.07 1s4c n PRO 16 Cb 0.48 -2.20 0.07 0.00 -0.02 0.00 0.00 33.50 31.83 1s4c n PRO 16 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1s4c h LYS 17 N 1.74 0.33 -0.65 -0.52 6.56 -1.93 -1.99 116.57 120.09 1s4c h LYS 17 Ca -0.46 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.12 1s4c h LYS 17 Cb 1.32 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 32.87 1s4c h LYS 17 CO 0.58 0.22 0.43 -0.24 -2.06 0.00 0.00 179.45 178.38 1s4c h VAL 18 N 0.34 1.15 -0.23 0.50 3.04 -1.89 0.65 116.25 119.81 1s4c h VAL 18 Ca 0.25 -0.30 -0.13 0.00 -1.01 0.00 0.00 66.70 65.51 1s4c h VAL 18 Cb 0.30 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 29.78 1s4c h VAL 18 CO -0.28 0.16 -0.42 0.40 -1.01 0.00 0.00 177.57 176.42 1s4c h ILE 19 N 0.86 1.30 -0.54 3.17 1.08 -1.79 -1.38 117.51 120.22 1s4c h ILE 19 Ca 0.24 -1.59 -0.09 0.00 -0.39 0.00 0.00 64.86 63.03 1s4c h ILE 19 Cb -0.07 1.58 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 1s4c h ILE 19 CO -0.06 0.50 -0.03 0.00 -0.69 0.00 0.00 178.15 177.88 1s4c h ALA 20 N 1.09 0.94 -0.25 1.87 0.00 -0.49 -0.60 119.26 121.82 1s4c h ALA 20 Ca 0.04 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1s4c h ALA 20 Cb 0.92 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1s4c h ALA 20 CO 0.08 0.63 -0.36 0.93 0.00 0.00 0.00 179.25 180.53 1s4c h GLU 21 N 0.86 0.57 -0.23 0.00 5.08 -0.68 -0.62 114.58 119.55 1s4c h GLU 21 Ca 0.15 -0.27 -0.15 0.00 -1.00 0.00 0.00 59.36 58.10 1s4c h GLU 21 Cb 0.54 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1s4c h GLU 21 CO 0.03 0.85 -0.45 -0.39 -1.00 0.00 0.00 179.01 178.04 1s4c h VAL 22 N 0.48 1.30 -0.40 3.13 -1.51 -1.10 -2.23 116.25 115.92 1s4c h VAL 22 Ca 0.05 -1.65 -0.12 0.00 -1.23 0.00 0.00 66.70 63.75 1s4c h VAL 22 Cb 0.85 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.61 1s4c h VAL 22 CO 0.07 0.52 -0.23 0.00 -1.23 0.00 0.00 177.57 176.70 1s4c h ASP 24 N 0.67 0.54 -0.12 0.00 3.32 -1.10 -0.14 116.42 119.59 1s4c h ASP 24 Ca 0.08 0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 1s4c h ASP 24 Cb 0.80 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 1s4c h ASP 24 CO 0.07 0.18 -0.14 0.22 -1.72 0.00 0.00 179.24 177.85 1s4c h TYR 25 N 0.60 0.38 -0.49 4.55 3.20 -0.66 -1.81 116.97 122.73 1s4c h TYR 25 Ca 0.51 -0.12 0.05 0.00 3.14 0.00 0.00 58.73 62.31 1s4c h TYR 25 Cb 0.79 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 1s4c h TYR 25 CO -0.08 0.73 0.33 -0.07 -1.64 0.00 0.00 178.16 177.43 1s4c h LEU 26 N -0.09 0.42 -1.32 2.82 4.07 -0.36 -0.74 115.31 120.11 1s4c h LEU 26 Ca 0.02 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.91 1s4c h LEU 26 Cb 0.68 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 1s4c h LEU 26 CO 0.03 0.29 -0.31 0.78 -1.08 0.00 0.00 178.44 178.15 1s4c h ASN 27 N 0.49 0.00 0.20 -0.43 2.35 -0.28 -2.04 115.58 115.87 1s4c h ASN 27 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1s4c h ASN 27 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1s4c h ASN 27 CO -0.05 0.31 0.00 0.41 -1.65 0.00 0.00 177.43 176.45 1s4c n THR 28 N -3.84 1.08 -4.37 2.81 -1.04 -0.28 -4.89 114.28 103.75 1s4c n THR 28 Ca -0.01 0.27 -0.24 0.00 -2.04 0.00 0.00 64.05 62.03 1s4c n THR 28 Cb 0.39 -1.13 -0.09 0.00 -1.82 0.00 0.00 70.33 67.68 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 -2.74 2.91 -0.51 -4.42 1.02 -0.77 -5.08 118.68 109.09 1s4c s LEU 29 Ca 0.06 -0.80 -0.24 0.00 0.02 0.00 0.00 54.13 53.18 1s4c s LEU 29 Cb 0.05 -1.45 0.04 0.00 0.02 0.00 0.00 46.19 44.85 1s4c s LEU 29 CO 0.13 0.03 0.88 -0.62 0.02 0.00 0.00 176.35 176.80 1s4c s ASP 30 N -3.49 6.37 0.12 2.29 2.15 -1.26 -4.92 116.67 117.93 1s4c s ASP 30 Ca 0.30 -0.27 0.02 0.00 0.43 0.00 0.00 52.55 53.03 1s4c s ASP 30 Cb -0.06 -2.42 -0.17 0.00 -0.30 0.00 0.00 42.92 39.97 1s4c s ASP 30 CO 0.17 -1.11 1.26 -0.07 -0.17 0.00 0.00 175.17 175.26 1s4c h LEU 31 N 10.63 0.22 -1.40 -1.34 3.38 -1.98 -2.84 115.31 121.98 1s4c h LEU 31 Ca -0.26 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 1s4c h LEU 31 Cb 1.08 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1s4c h LEU 31 CO 1.04 1.12 -0.30 0.78 0.09 0.00 0.00 178.44 181.17 1s4c h ASN 32 N 0.06 0.00 0.22 -0.43 2.35 -1.92 -1.84 115.58 114.01 1s4c h ASN 32 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1s4c h ASN 32 Cb 1.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.12 1s4c h ASN 32 CO 0.16 0.30 -0.01 0.00 -1.65 0.00 0.00 177.43 176.23 1s4c n ALA 33 N -2.46 2.62 -2.15 -0.83 0.00 -1.08 -4.91 120.51 111.69 1s4c n ALA 33 Ca -0.02 -0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1s4c n ALA 33 Cb 0.35 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1s4c n ALA 33 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1s4c s LEU 34 N -2.23 4.39 0.23 0.00 2.96 -0.70 -4.97 118.68 118.37 1s4c s LEU 34 Ca 0.40 2.29 -0.30 0.00 -0.22 0.00 0.00 54.13 56.29 1s4c s LEU 34 Cb 0.21 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 43.21 1s4c s LEU 34 CO 0.41 -0.56 1.47 -1.61 -1.32 0.00 0.00 176.35 174.73 1s4c s GLU 35 N 0.62 4.26 0.48 1.98 2.02 -1.26 -5.00 118.70 121.80 1s4c s GLU 35 Ca 0.60 2.31 -0.24 0.00 0.02 0.00 0.00 54.97 57.66 1s4c s GLU 35 Cb -0.35 -3.12 -0.07 0.00 0.10 0.00 0.00 34.13 30.69 1s4c s GLU 35 CO 0.33 -0.46 1.37 -0.80 0.02 0.00 0.00 175.26 175.72 1s4c s ASN 36 N 0.56 5.71 0.00 -0.19 0.01 -1.26 -4.69 114.94 115.07 1s4c s ASN 36 Ca 0.62 2.79 0.00 0.00 -0.71 0.00 0.00 52.86 55.56 1s4c s ASN 36 Cb -0.42 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.60 1s4c s ASN 36 CO 0.40 -1.28 0.00 0.61 -1.51 0.00 0.00 177.10 175.33 1s4c n GLY 37 N 0.64 0.33 3.64 0.66 0.00 0.81 -4.92 105.19 106.34 1s4c n GLY 37 Ca 0.07 -2.29 -0.40 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.09 4.13 -0.08 1.61 3.52 -1.26 -0.61 118.95 126.17 1s4c s ARG 38 Ca 0.00 0.42 0.01 0.00 -0.13 0.00 0.00 55.73 56.03 1s4c s ARG 38 Cb 0.00 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 1s4c s ARG 38 CO 0.00 -0.28 -0.09 -1.01 -0.81 0.00 0.00 175.30 173.11 1s4c s HIS 39 N 2.06 2.87 -0.12 5.12 3.76 -0.24 -4.99 115.29 123.76 1s4c s HIS 39 Ca 0.24 -0.11 -0.15 0.00 -0.15 0.00 0.00 55.06 54.88 1s4c s HIS 39 Cb -0.16 -1.73 -0.05 0.00 1.11 0.00 0.00 32.58 31.76 1s4c s HIS 39 CO 0.09 0.21 0.37 -0.51 -0.85 0.00 0.00 174.74 174.06 1s4c s ASP 40 N -0.57 6.59 -0.08 1.40 1.01 -1.26 0.13 116.67 123.89 1s4c s ASP 40 Ca 0.08 0.69 -0.05 0.00 0.71 0.00 0.00 52.55 53.99 1s4c s ASP 40 Cb -0.12 -2.23 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 1s4c s ASP 40 CO 0.02 0.11 -0.10 -0.38 0.21 0.00 0.00 175.17 175.03 1s4c n ILE 41 N 3.27 0.79 -3.75 0.77 5.41 0.12 -4.94 119.36 121.03 1s4c n ILE 41 Ca -0.11 0.34 -0.13 0.00 1.00 0.00 0.00 62.75 63.86 1s4c n ILE 41 Cb 0.52 -2.00 -0.00 0.00 -0.71 0.00 0.00 39.64 37.45 1s4c n ILE 41 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1s4c n ASN 42 N -3.57 1.91 0.07 4.38 5.03 -0.58 -4.96 115.26 117.54 1s4c n ASN 42 Ca -0.04 -1.91 -0.01 0.00 0.87 0.00 0.00 54.58 53.49 1s4c n ASN 42 Cb 0.15 0.00 0.27 0.00 -1.02 0.00 0.00 39.78 39.18 1s4c n ASN 42 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 1s4c h ASP 43 N 0.34 0.34 0.00 6.41 3.58 -2.05 -3.29 116.42 121.75 1s4c h ASP 43 Ca -0.17 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1s4c h ASP 43 Cb 0.60 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1s4c h ASP 43 CO 0.26 0.59 -1.36 0.00 -2.88 0.00 0.00 179.24 175.85 1s4c n GLN 44 N -4.15 0.83 -4.69 0.28 1.13 -1.26 -5.00 117.38 104.52 1s4c n GLN 44 Ca -0.01 -0.09 -0.29 0.00 -1.94 0.00 0.00 57.00 54.67 1s4c n GLN 44 Cb 0.37 -1.39 -0.14 0.00 0.11 0.00 0.00 30.24 29.19 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 -2.99 2.16 0.28 5.09 1.01 -1.24 -4.57 121.20 120.94 1s4c s ILE 45 Ca -0.00 -1.53 -0.14 0.00 0.00 0.00 0.00 60.65 58.98 1s4c s ILE 45 Cb 0.13 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.72 1s4c s ILE 45 CO 0.75 0.25 0.55 -0.72 0.00 0.00 0.00 174.94 175.77 1s4c s TYR 46 N -0.91 0.31 0.03 3.97 1.13 -1.19 -0.70 117.35 119.98 1s4c s TYR 46 Ca 0.12 -0.70 -0.01 0.00 -1.41 0.00 0.00 57.07 55.07 1s4c s TYR 46 Cb -0.10 0.32 -0.02 0.00 -1.10 0.00 0.00 41.96 41.06 1s4c s TYR 46 CO 0.04 -1.11 -0.00 0.00 -2.51 0.00 0.00 175.55 171.97 1s4c s MET 47 N -3.75 0.41 -0.19 -3.49 0.23 0.12 -0.11 119.30 112.51 1s4c s MET 47 Ca 0.21 -0.71 -0.07 0.00 -1.03 0.00 0.00 55.69 54.08 1s4c s MET 47 Cb -0.02 0.15 -0.04 0.00 -1.53 0.00 0.00 34.83 33.39 1s4c s MET 47 CO 0.10 -0.08 0.06 -0.80 -2.03 0.00 0.00 175.02 172.27 1s4c s ASN 48 N -1.77 5.51 -0.08 -1.18 0.01 -0.72 -1.08 114.94 115.62 1s4c s ASN 48 Ca -0.11 0.02 -0.00 0.00 -0.71 0.00 0.00 52.86 52.06 1s4c s ASN 48 Cb -0.06 -1.95 -0.03 0.00 0.41 0.00 0.00 41.25 39.62 1s4c s ASN 48 CO -0.03 0.13 -0.06 0.54 -1.51 0.00 0.00 177.10 176.18 1s4c s VAL 49 N 0.61 3.75 0.08 1.60 0.11 0.21 -1.49 120.40 125.28 1s4c s VAL 49 Ca 0.03 -0.45 -0.11 0.00 -2.93 0.00 0.00 61.98 58.52 1s4c s VAL 49 Cb -0.13 -2.55 0.01 0.00 -1.53 0.00 0.00 36.38 32.18 1s4c s VAL 49 CO 0.01 0.58 0.25 0.00 -3.33 0.00 0.00 175.10 172.61 1s4c s MET 50 N -0.60 0.86 -0.56 1.54 0.23 -0.31 -0.13 119.30 120.33 1s4c s MET 50 Ca 0.09 -0.81 0.06 0.00 -1.03 0.00 0.00 55.69 54.00 1s4c s MET 50 Cb -0.12 0.36 0.22 0.00 -1.53 0.00 0.00 34.83 33.77 1s4c s MET 50 CO 0.02 -0.29 0.59 0.39 -2.03 0.00 0.00 175.02 173.70 1s4c n GLU 51 N 0.08 1.61 0.00 3.16 1.02 -1.26 -1.63 120.64 123.62 1s4c n GLU 51 Ca -0.16 -4.05 0.00 0.00 -0.02 0.00 0.00 57.16 52.92 1s4c n GLU 51 Cb 0.62 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1s4c n GLU 51 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1s4c n PRO 52 N 1.46 3.71 0.00 3.49 -0.05 -1.24 -4.86 135.00 137.52 1s4c n PRO 52 Ca 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.71 1s4c n PRO 52 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.89 1s4c n PRO 52 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 175.50 175.81 1s4c n LYS 61 N 0.00 0.00 -2.88 0.54 2.85 -1.26 -4.81 118.16 112.60 1s4c n LYS 61 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 1s4c n LYS 61 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 1s4c n LYS 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1s4c s ALA 62 N 0.00 3.18 0.08 0.58 0.00 0.15 -4.81 121.76 120.94 1s4c s ALA 62 Ca 0.00 0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.17 1s4c s ALA 62 Cb 0.00 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.14 1s4c s ALA 62 CO 0.00 0.14 -0.12 -1.83 0.00 0.00 0.00 175.76 173.95 1s4c s GLU 63 N -3.32 0.81 0.18 0.00 1.03 -0.10 -1.72 118.70 115.58 1s4c s GLU 63 Ca 0.57 -1.03 -0.07 0.00 0.03 0.00 0.00 54.97 54.48 1s4c s GLU 63 Cb -0.10 -0.65 -0.02 0.00 -0.80 0.00 0.00 34.13 32.56 1s4c s GLU 63 CO 0.19 0.13 0.25 -0.48 -1.33 0.00 0.00 175.26 174.02 1s4c s LEU 64 N -2.04 1.01 0.16 1.83 -0.00 -0.49 -2.05 118.68 117.10 1s4c s LEU 64 Ca 0.00 -1.03 0.06 0.00 -0.00 0.00 0.00 54.13 53.17 1s4c s LEU 64 Cb -0.07 1.00 -0.04 0.00 -0.00 0.00 0.00 46.19 47.08 1s4c s LEU 64 CO 0.01 -0.90 -0.13 -1.00 -0.00 0.00 0.00 176.35 174.33 1s4c s HIS 65 N -4.02 1.49 -0.18 3.48 3.76 -1.26 -0.28 115.29 118.28 1s4c s HIS 65 Ca 0.23 -0.61 -0.05 0.00 -0.15 0.00 0.00 55.06 54.48 1s4c s HIS 65 Cb 0.04 -0.74 -0.09 0.00 1.11 0.00 0.00 32.58 32.90 1s4c s HIS 65 CO 0.04 0.21 -0.21 0.72 -0.85 0.00 0.00 174.74 174.65 1s4c n HIS 66 N 0.04 0.00 -0.04 1.40 8.25 -1.26 -0.39 115.22 123.22 1s4c n HIS 66 Ca -0.12 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.38 1s4c n HIS 66 Cb 0.59 -0.66 -0.17 0.00 1.12 0.00 0.00 29.99 30.87 1s4c n HIS 66 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1s4c n GLU 67 N -3.53 0.67 -4.38 -0.41 0.28 -1.26 -4.81 120.64 107.21 1s4c n GLU 67 Ca -0.34 -0.13 -0.31 0.00 -0.16 0.00 0.00 57.16 56.21 1s4c n GLU 67 Cb 0.78 -1.52 -0.10 0.00 1.43 0.00 0.00 31.44 32.03 1s4c n GLU 67 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1s4c s TYR 68 N -3.15 2.82 0.24 -1.84 1.51 -1.26 -0.88 117.35 114.78 1s4c s TYR 68 Ca -0.09 -0.09 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 1s4c s TYR 68 Cb 0.11 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 40.39 1s4c s TYR 68 CO 0.88 0.39 0.40 -0.48 -1.11 0.00 0.00 175.55 175.63 1s4c s LEU 69 N -1.73 4.22 -0.09 -1.29 0.05 0.60 -3.89 118.68 116.54 1s4c s LEU 69 Ca 0.19 0.29 -0.11 0.00 0.05 0.00 0.00 54.13 54.55 1s4c s LEU 69 Cb -0.11 -3.08 -0.05 0.00 -2.05 0.00 0.00 46.19 40.90 1s4c s LEU 69 CO 0.10 -0.09 0.26 -1.81 -0.55 0.00 0.00 176.35 174.26 1s4c s ASP 70 N -3.58 6.53 -0.28 1.48 1.11 -0.42 -1.86 116.67 119.64 1s4c s ASP 70 Ca 0.37 0.63 -0.02 0.00 0.18 0.00 0.00 52.55 53.70 1s4c s ASP 70 Cb -0.10 -2.15 0.04 0.00 1.07 0.00 0.00 42.92 41.77 1s4c s ASP 70 CO 0.30 0.30 -0.01 -0.69 1.18 0.00 0.00 175.17 176.26 1s4c s VAL 71 N -0.65 3.07 -0.23 -1.27 1.01 -0.49 -0.75 120.40 121.10 1s4c s VAL 71 Ca 0.18 -1.17 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 1s4c s VAL 71 Cb -0.14 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1s4c s VAL 71 CO 0.07 0.02 0.08 -1.10 0.00 0.00 0.00 175.10 174.17 1s4c s GLN 72 N 1.31 3.79 -0.02 2.72 -0.21 -0.37 0.59 119.66 127.47 1s4c s GLN 72 Ca -0.02 -0.42 0.05 0.00 0.02 0.00 0.00 55.36 54.99 1s4c s GLN 72 Cb -0.18 -3.32 -0.01 0.00 1.00 0.00 0.00 33.01 30.50 1s4c s GLN 72 CO -0.02 -0.03 -0.15 0.54 -2.12 0.00 0.00 175.29 173.51 1s4c s VAL 73 N 1.21 1.23 -0.16 1.09 0.11 -0.50 -0.73 120.40 122.66 1s4c s VAL 73 Ca 0.05 -0.65 -0.14 0.00 -2.93 0.00 0.00 61.98 58.30 1s4c s VAL 73 Cb -0.14 -1.03 -0.05 0.00 -1.53 0.00 0.00 36.38 33.63 1s4c s VAL 73 CO 0.04 0.35 0.31 -0.22 -3.33 0.00 0.00 175.10 172.25 1s4c s LEU 74 N -0.29 4.25 -0.23 2.54 1.98 -0.97 -1.30 118.68 124.66 1s4c s LEU 74 Ca 0.04 0.54 -0.04 0.00 -2.89 0.00 0.00 54.13 51.78 1s4c s LEU 74 Cb -0.07 -2.41 -0.13 0.00 0.66 0.00 0.00 46.19 44.24 1s4c s LEU 74 CO -0.00 0.09 -0.25 -0.38 -1.89 0.00 0.00 176.35 173.91 1s4c n ILE 75 N 3.59 1.32 -3.87 6.68 5.41 0.11 0.19 119.36 132.79 1s4c n ILE 75 Ca -0.11 -0.43 -0.12 0.00 1.00 0.00 0.00 62.75 63.09 1s4c n ILE 75 Cb 0.52 -1.53 -0.12 0.00 -0.71 0.00 0.00 39.64 37.79 1s4c n ILE 75 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1s4c s ARG 76 N -2.45 0.17 1.77 0.38 3.52 -0.75 -4.60 118.95 116.99 1s4c s ARG 76 Ca -0.32 -0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 1s4c s ARG 76 Cb 0.10 0.07 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 1s4c s ARG 76 CO 0.48 -0.03 0.00 0.41 -0.81 0.00 0.00 175.30 175.35 1s4c n GLY 77 N 2.63 -0.06 3.64 8.12 0.00 -1.26 -2.00 105.19 116.27 1s4c n GLY 77 Ca -0.15 -1.40 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 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 0.00 -0.01 2.61 2.01 -1.26 -3.86 115.64 115.13 1s4c s THR 78 Ca 0.00 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1s4c s THR 78 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.52 1s4c s THR 78 CO 0.00 0.00 -0.02 -0.70 -0.69 0.00 0.00 174.62 173.21 1s4c s GLU 79 N 1.49 0.25 -0.01 4.92 2.12 -0.88 -4.98 118.70 121.61 1s4c s GLU 79 Ca -0.09 -0.05 -0.17 0.00 0.36 0.00 0.00 54.97 55.02 1s4c s GLU 79 Cb -0.05 -0.29 -0.06 0.00 0.26 0.00 0.00 34.13 33.99 1s4c s GLU 79 CO -0.18 0.01 0.47 -0.80 -0.54 0.00 0.00 175.26 174.22 1s4c s ASN 80 N 0.24 6.85 -0.03 -1.70 -0.87 -1.03 0.30 114.94 118.70 1s4c s ASN 80 Ca -0.02 1.01 0.03 0.00 -1.57 0.00 0.00 52.86 52.31 1s4c s ASN 80 Cb -0.05 -2.29 0.00 0.00 -0.02 0.00 0.00 41.25 38.90 1s4c s ASN 80 CO -0.01 0.23 -0.12 -0.63 -2.57 0.00 0.00 177.10 174.01 1s4c s ILE 81 N -0.66 1.00 -0.12 0.60 1.01 0.14 -1.51 121.20 121.67 1s4c s ILE 81 Ca 0.26 -0.47 -0.13 0.00 0.00 0.00 0.00 60.65 60.31 1s4c s ILE 81 Cb -0.17 -0.88 -0.05 0.00 0.01 0.00 0.00 42.46 41.37 1s4c s ILE 81 CO 0.14 0.30 0.30 -1.61 0.00 0.00 0.00 174.94 174.08 1s4c s GLU 82 N 0.21 4.06 0.11 2.79 2.02 -0.88 -0.45 118.70 126.57 1s4c s GLU 82 Ca -0.05 0.15 0.03 0.00 0.02 0.00 0.00 54.97 55.12 1s4c s GLU 82 Cb -0.10 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 1s4c s GLU 82 CO 0.01 0.42 -0.08 0.14 0.02 0.00 0.00 175.26 175.77 1s4c s VAL 83 N -0.09 0.86 -0.12 2.63 -7.23 0.06 -1.03 120.40 115.48 1s4c s VAL 83 Ca 0.18 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.49 1s4c s VAL 83 Cb -0.14 -1.64 0.01 0.00 0.56 0.00 0.00 36.38 35.17 1s4c s VAL 83 CO 0.06 -0.77 -0.21 -0.83 -0.31 0.00 0.00 175.10 173.04 1s4c s GLY 84 N -2.94 1.28 0.13 2.32 0.00 -0.89 -1.27 107.32 105.95 1s4c s GLY 84 Ca 0.11 -0.97 0.08 0.00 0.00 0.00 0.00 44.72 43.95 1s4c s GLY 84 CO -0.02 -0.08 1.26 0.00 0.00 0.00 0.00 173.10 174.26 1s4c h ALA 85 N 7.12 0.41 -2.59 3.20 0.00 -1.86 -3.37 119.26 122.17 1s4c h ALA 85 Ca -0.28 -0.88 -0.48 0.00 0.00 0.00 0.00 54.91 53.27 1s4c h ALA 85 Cb 1.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1s4c h ALA 85 CO 0.51 1.19 0.38 0.95 0.00 0.00 0.00 179.25 182.29 1s4c s THR 86 N -2.74 3.96 0.14 0.00 -4.23 -1.26 -4.98 115.64 106.52 1s4c s THR 86 Ca 0.01 1.73 -0.31 0.00 -1.18 0.00 0.00 61.69 61.93 1s4c s THR 86 Cb 0.10 -4.00 -0.10 0.00 1.34 0.00 0.00 72.50 69.84 1s4c s THR 86 CO 0.81 0.23 1.60 -0.47 -0.54 0.00 0.00 174.62 176.25 1s4c s TYR 87 N -1.45 2.88 0.49 3.99 6.14 -1.26 -4.86 117.35 123.28 1s4c s TYR 87 Ca 0.49 0.53 -0.20 0.00 0.64 0.00 0.00 57.07 58.53 1s4c s TYR 87 Cb -0.23 -3.94 -0.08 0.00 0.42 0.00 0.00 41.96 38.12 1s4c s TYR 87 CO 0.29 -3.57 1.05 -1.25 0.64 0.00 0.00 175.55 172.70 1s4c s PRO 88 N 1.55 3.75 -0.47 4.97 0.04 -1.26 -4.97 135.00 138.61 1s4c s PRO 88 Ca 0.71 1.38 -0.28 0.00 0.04 0.00 0.00 61.00 62.85 1s4c s PRO 88 Cb -0.43 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.03 1s4c s PRO 88 CO 0.32 -0.47 1.46 1.21 0.04 0.00 0.00 177.00 179.55 1s4c s ASN 89 N -1.98 6.17 0.00 6.66 3.84 -1.26 -4.90 114.94 123.47 1s4c s ASN 89 Ca 0.68 0.63 0.12 0.00 0.21 0.00 0.00 52.86 54.50 1s4c s ASN 89 Cb -0.17 -2.54 0.71 0.00 -0.55 0.00 0.00 41.25 38.70 1s4c s ASN 89 CO 0.21 -1.60 1.33 0.18 -2.79 0.00 0.00 177.10 174.42 1s4c n LEU 90 N 9.40 0.00 -0.05 3.21 4.32 -1.26 -3.08 117.00 129.55 1s4c n LEU 90 Ca 0.16 0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.94 1s4c n LEU 90 Cb 0.49 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.16 1s4c n LEU 90 CO 0.71 0.00 -0.48 0.28 -1.22 0.00 0.00 177.39 176.68 1s4c h SER 91 N 0.00 0.19 0.00 -1.43 0.02 -1.99 -3.33 113.55 107.00 1s4c h SER 91 Ca 0.00 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 1s4c h SER 91 Cb 0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1s4c h SER 91 CO 0.00 1.56 0.00 2.29 -1.14 0.00 0.00 176.83 179.54 1s4c n LYS 92 N -4.12 0.17 -3.84 3.45 0.00 -1.18 -4.71 118.16 107.94 1s4c n LYS 92 Ca -0.28 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.67 1s4c n LYS 92 Cb 0.80 -1.19 -0.06 0.00 -0.00 0.00 0.00 35.03 34.58 1s4c n LYS 92 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1s4c s TYR 93 N -2.00 3.59 1.02 5.58 1.51 -1.25 -4.73 117.35 121.07 1s4c s TYR 93 Ca 0.03 0.53 -0.12 0.00 -1.01 0.00 0.00 57.07 56.50 1s4c s TYR 93 Cb 0.01 -1.95 0.20 0.00 -0.11 0.00 0.00 41.96 40.12 1s4c s TYR 93 CO 0.02 0.69 1.08 -1.21 -1.11 0.00 0.00 175.55 175.02 1s4c s GLU 94 N -1.41 0.22 0.62 -0.62 2.02 0.27 -4.94 118.70 114.87 1s4c s GLU 94 Ca 0.21 0.99 -0.19 0.00 0.02 0.00 0.00 54.97 56.00 1s4c s GLU 94 Cb -0.13 -1.68 -0.02 0.00 0.10 0.00 0.00 34.13 32.40 1s4c s GLU 94 CO 0.11 -3.00 1.27 -0.51 0.02 0.00 0.00 175.26 173.15 1s4c s ASP 95 N -2.86 4.85 -0.10 -0.19 1.11 -1.26 -4.38 116.67 113.83 1s4c s ASP 95 Ca 0.66 2.55 -0.30 0.00 0.18 0.00 0.00 52.55 55.65 1s4c s ASP 95 Cb -0.22 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.12 1s4c s ASP 95 CO 0.60 -1.84 1.42 -0.47 1.18 0.00 0.00 175.17 176.07 1s4c s TYR 96 N -1.45 2.53 -0.36 4.23 5.04 -1.26 -4.71 117.35 121.36 1s4c s TYR 96 Ca 0.80 0.69 -0.26 0.00 -2.44 0.00 0.00 57.07 55.86 1s4c s TYR 96 Cb -0.35 -3.67 0.01 0.00 0.35 0.00 0.00 41.96 38.30 1s4c s TYR 96 CO 0.38 -2.57 0.93 1.21 -1.34 0.00 0.00 175.55 174.15 1s4c s ASN 97 N 2.46 6.70 -0.02 4.32 3.84 -0.57 -4.93 114.94 126.74 1s4c s ASN 97 Ca 0.63 0.63 -0.06 0.00 0.21 0.00 0.00 52.86 54.27 1s4c s ASN 97 Cb -0.27 -2.47 -0.29 0.00 -0.55 0.00 0.00 41.25 37.67 1s4c s ASN 97 CO 0.22 -0.84 0.76 -0.08 -2.79 0.00 0.00 177.10 174.37 1s4c h GLU 98 N 8.41 0.31 -0.27 0.43 4.81 -1.94 -1.24 114.58 125.09 1s4c h GLU 98 Ca -0.23 -0.53 0.03 0.00 -0.13 0.00 0.00 59.36 58.50 1s4c h GLU 98 Cb 1.08 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 1s4c h GLU 98 CO 0.98 1.19 0.09 0.00 -0.73 0.00 0.00 179.01 180.54 1s4c h ALA 99 N 0.33 0.30 -0.09 2.92 0.00 -1.98 -3.08 119.26 117.67 1s4c h ALA 99 Ca -0.29 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1s4c h ALA 99 Cb 2.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1s4c h ALA 99 CO 0.17 -0.32 0.00 -0.25 0.00 0.00 0.00 179.25 178.85 1s4c n ASP 100 N -5.03 2.71 -3.44 0.00 9.92 -1.26 -5.03 116.55 114.42 1s4c n ASP 100 Ca -0.01 -1.82 -0.21 0.00 -0.53 0.00 0.00 54.79 52.21 1s4c n ASP 100 Cb 0.09 -0.04 0.06 0.00 -0.64 0.00 0.00 41.12 40.59 1s4c n ASP 100 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1s4c n ASP 101 N 1.10 -5.76 -3.67 -2.24 2.03 -0.53 -5.03 116.55 102.45 1s4c n ASP 101 Ca 0.12 -0.83 -0.12 0.00 0.52 0.00 0.00 54.79 54.49 1s4c n ASP 101 Cb 0.49 -4.48 -0.06 0.00 -0.72 0.00 0.00 41.12 36.35 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 -3.43 -0.22 -0.00 -0.67 -0.85 -0.81 -4.25 117.35 107.13 1s4c s TYR 102 Ca 0.43 0.05 0.02 0.00 -0.52 0.00 0.00 57.07 57.06 1s4c s TYR 102 Cb -0.10 0.21 -0.01 0.00 0.38 0.00 0.00 41.96 42.45 1s4c s TYR 102 CO 0.79 -0.61 -0.08 -0.65 -1.52 0.00 0.00 175.55 173.48 1s4c s GLN 103 N -3.02 0.63 0.03 -3.49 -0.21 0.62 -1.51 119.66 112.71 1s4c s GLN 103 Ca -0.02 -0.30 0.07 0.00 0.02 0.00 0.00 55.36 55.13 1s4c s GLN 103 Cb 0.00 -0.60 -0.03 0.00 1.00 0.00 0.00 33.01 33.38 1s4c s GLN 103 CO -0.06 0.16 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.58 1s4c s LEU 104 N -0.26 2.60 0.17 2.90 1.43 -1.26 -1.40 118.68 122.87 1s4c s LEU 104 Ca 0.02 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 1s4c s LEU 104 Cb -0.03 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.67 1s4c s LEU 104 CO -0.00 0.26 0.34 0.00 0.23 0.00 0.00 176.35 177.18 1s4c h ALA 106 N 2.47 0.44 -3.04 0.00 0.00 -1.85 0.45 119.26 117.72 1s4c h ALA 106 Ca -0.31 -0.63 -0.30 0.00 0.00 0.00 0.00 54.91 53.66 1s4c h ALA 106 Cb 1.24 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.79 1s4c h ALA 106 CO 0.46 0.74 -0.74 -0.51 0.00 0.00 0.00 179.25 179.21 1s4c s ASP 107 N -7.05 1.16 -0.17 0.00 1.01 -1.26 -4.20 116.67 106.15 1s4c s ASP 107 Ca -0.07 -0.66 -0.16 0.00 0.71 0.00 0.00 52.55 52.36 1s4c s ASP 107 Cb 0.09 0.02 -0.04 0.00 1.01 0.00 0.00 42.92 44.00 1s4c s ASP 107 CO 0.87 -0.22 0.41 -0.63 0.21 0.00 0.00 175.17 175.82 1s4c s ILE 108 N -1.79 5.21 0.13 0.77 1.01 -1.26 -4.94 121.20 120.33 1s4c s ILE 108 Ca -0.03 0.77 -0.30 0.00 0.00 0.00 0.00 60.65 61.09 1s4c s ILE 108 Cb -0.07 -3.75 -0.07 0.00 0.01 0.00 0.00 42.46 38.59 1s4c s ILE 108 CO 0.00 0.29 1.05 -1.81 0.00 0.00 0.00 174.94 174.48 1s4c s ASP 109 N 0.82 7.34 -1.12 3.58 1.01 -1.26 -4.06 116.67 122.97 1s4c s ASP 109 Ca 0.21 1.95 -0.06 0.00 0.71 0.00 0.00 52.55 55.36 1s4c s ASP 109 Cb -0.15 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 1s4c s ASP 109 CO 0.08 -0.19 0.89 0.47 0.21 0.00 0.00 175.17 176.63 1s4c n ASP 110 N 2.75 -4.85 -4.84 0.27 8.00 -1.26 -4.67 116.55 111.95 1s4c n ASP 110 Ca 0.03 -0.75 -0.21 0.00 0.71 0.00 0.00 54.79 54.57 1s4c n ASP 110 Cb 0.47 -4.77 -0.04 0.00 -0.02 0.00 0.00 41.12 36.77 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 -5.03 2.75 0.26 -1.24 -2.85 -1.26 -4.36 119.74 108.02 1s4c s LYS 111 Ca 0.31 -1.26 -0.08 0.00 -1.00 0.00 0.00 55.97 53.95 1s4c s LYS 111 Cb -0.06 -2.48 -0.01 0.00 -2.06 0.00 0.00 37.83 33.22 1s4c s LYS 111 CO 0.77 0.15 0.41 -0.59 0.10 0.00 0.00 175.35 176.19 1s4c s PHE 112 N -2.28 0.69 -0.16 1.78 -0.71 -0.40 -4.94 117.98 111.96 1s4c s PHE 112 Ca 0.39 -0.99 -0.03 0.00 -1.04 0.00 0.00 56.93 55.26 1s4c s PHE 112 Cb -0.06 -0.02 -0.02 0.00 -1.21 0.00 0.00 43.02 41.71 1s4c s PHE 112 CO 0.26 -0.96 -0.06 0.99 -1.34 0.00 0.00 175.22 174.10 1s4c s THR 113 N -3.80 3.55 -0.21 -4.49 2.01 -1.26 -0.76 115.64 110.68 1s4c s THR 113 Ca 0.28 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.74 1s4c s THR 113 Cb 0.01 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1s4c s THR 113 CO 0.12 0.48 0.04 -0.69 -0.69 0.00 0.00 174.62 173.89 1s4c s VAL 114 N 0.61 4.32 -0.43 3.82 1.01 0.40 -4.92 120.40 125.22 1s4c s VAL 114 Ca -0.04 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 1s4c s VAL 114 Cb -0.15 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.30 1s4c s VAL 114 CO 0.03 0.41 0.32 -0.89 0.00 0.00 0.00 175.10 174.97 1s4c s THR 115 N 0.94 5.25 0.13 3.92 2.01 -1.26 0.27 115.64 126.89 1s4c s THR 115 Ca 0.03 -0.76 -0.27 0.00 0.31 0.00 0.00 61.69 61.00 1s4c s THR 115 Cb -0.14 -3.98 -0.07 0.00 0.01 0.00 0.00 72.50 68.33 1s4c s THR 115 CO 0.02 -0.38 0.84 -0.04 -0.69 0.00 0.00 174.62 174.38 1s4c s MET 116 N 1.67 4.62 0.24 4.92 -1.94 0.15 -4.94 119.30 124.01 1s4c s MET 116 Ca 0.05 1.24 0.11 0.00 -1.71 0.00 0.00 55.69 55.38 1s4c s MET 116 Cb -0.20 -3.32 -0.05 0.00 2.01 0.00 0.00 34.83 33.27 1s4c s MET 116 CO 0.09 0.39 -0.15 0.15 -0.01 0.00 0.00 175.02 175.49 1s4c s LYS 117 N -0.55 1.83 0.14 2.03 -0.14 -1.26 -2.06 119.74 119.73 1s4c s LYS 117 Ca 0.40 -1.55 -0.34 0.00 -1.36 0.00 0.00 55.97 53.12 1s4c s LYS 117 Cb -0.23 -1.94 -0.16 0.00 -1.68 0.00 0.00 37.83 33.82 1s4c s LYS 117 CO 0.27 0.37 1.13 -2.30 -0.76 0.00 0.00 175.35 174.06 1s4c n PRO 118 N -0.33 0.94 -0.04 -1.68 -0.02 -1.25 -0.90 135.00 131.73 1s4c n PRO 118 Ca -0.08 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1s4c n PRO 118 Cb 0.58 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1s4c n PRO 118 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1s4c n LYS 119 N 1.76 0.00 -2.10 -0.52 3.00 0.49 -4.95 118.16 115.84 1s4c n LYS 119 Ca 0.16 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.10 1s4c n LYS 119 Cb 0.22 -1.49 0.01 0.00 0.00 0.00 0.00 35.03 33.77 1s4c n LYS 119 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1s4c s MET 120 N -0.03 3.57 0.10 1.64 -1.94 -0.08 -1.22 119.30 121.34 1s4c s MET 120 Ca 0.00 1.93 0.07 0.00 -1.71 0.00 0.00 55.69 55.98 1s4c s MET 120 Cb 0.00 -2.37 -0.03 0.00 2.01 0.00 0.00 34.83 34.43 1s4c s MET 120 CO 0.00 -0.75 -0.18 -0.59 -0.01 0.00 0.00 175.02 173.49 1s4c s PHE 121 N -1.46 1.60 -0.04 -0.03 -0.12 -0.81 -2.29 117.98 114.84 1s4c s PHE 121 Ca 0.66 -0.44 0.02 0.00 -0.05 0.00 0.00 56.93 57.11 1s4c s PHE 121 Cb -0.33 -0.87 0.01 0.00 -0.63 0.00 0.00 43.02 41.20 1s4c s PHE 121 CO 0.39 0.17 -0.08 0.00 -0.05 0.00 0.00 175.22 175.65 1s4c s ALA 122 N -1.33 0.84 -0.19 1.99 0.00 0.10 -0.97 121.76 122.19 1s4c s ALA 122 Ca 0.05 -0.24 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 1s4c s ALA 122 Cb -0.09 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 1s4c s ALA 122 CO 0.04 0.09 -0.01 0.08 0.00 0.00 0.00 175.76 175.96 1s4c s VAL 123 N 0.49 3.98 -0.21 0.00 1.01 0.21 -1.24 120.40 124.65 1s4c s VAL 123 Ca -0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1s4c s VAL 123 Cb -0.11 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.49 1s4c s VAL 123 CO 0.01 0.45 -0.12 -0.36 0.00 0.00 0.00 175.10 175.07 1s4c s PHE 124 N 0.81 2.89 0.70 5.22 0.08 0.07 -1.85 117.98 125.91 1s4c s PHE 124 Ca 0.00 -1.40 -0.10 0.00 0.12 0.00 0.00 56.93 55.54 1s4c s PHE 124 Cb -0.14 -2.00 0.02 0.00 -0.57 0.00 0.00 43.02 40.33 1s4c s PHE 124 CO 0.02 -0.71 1.07 0.71 -0.10 0.00 0.00 175.22 176.21 1s4c s TYR 125 N 1.36 3.25 0.19 0.36 2.02 -1.26 -1.31 117.35 121.95 1s4c s TYR 125 Ca 0.04 0.92 -0.31 0.00 -0.37 0.00 0.00 57.07 57.35 1s4c s TYR 125 Cb -0.14 -3.08 -0.16 0.00 -0.40 0.00 0.00 41.96 38.18 1s4c s TYR 125 CO -0.08 -1.21 0.96 -2.30 -1.57 0.00 0.00 175.55 171.34 1s4c n PRO 126 N -2.98 0.80 -0.95 -1.71 -0.02 -1.25 -1.21 135.00 127.68 1s4c n PRO 126 Ca 0.07 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1s4c n PRO 126 Cb 0.58 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 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 0.84 0.00 -3.11 6.00 4.01 0.47 -4.91 117.16 120.46 1s4c n TYR 127 Ca 0.15 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.47 1s4c n TYR 127 Cb 0.25 -0.53 -0.07 0.00 -0.31 0.00 0.00 39.34 38.68 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 -0.48 3.53 0.19 -0.72 2.02 -0.35 -4.53 118.70 118.35 1s4c s GLU 128 Ca 0.00 -0.11 -0.30 0.00 0.02 0.00 0.00 54.97 54.58 1s4c s GLU 128 Cb 0.00 -3.86 -0.09 0.00 0.10 0.00 0.00 34.13 30.28 1s4c s GLU 128 CO 0.00 -0.84 1.32 -1.25 0.02 0.00 0.00 175.26 174.51 1s4c s PRO 129 N 2.76 4.38 0.06 0.39 0.04 -1.26 -4.68 135.00 136.69 1s4c s PRO 129 Ca 0.24 2.06 -0.05 0.00 0.04 0.00 0.00 61.00 63.28 1s4c s PRO 129 Cb -0.14 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 1s4c s PRO 129 CO 0.17 -0.28 0.10 -3.38 0.04 0.00 0.00 177.00 173.64 1s4c s HIS 130 N 0.23 0.27 -0.37 0.56 -3.43 -0.87 -2.10 115.29 109.58 1s4c s HIS 130 Ca 0.58 -0.70 0.02 0.00 -0.80 0.00 0.00 55.06 54.16 1s4c s HIS 130 Cb -0.37 -0.18 0.15 0.00 -1.43 0.00 0.00 32.58 30.75 1s4c s HIS 130 CO 0.37 -0.44 0.27 0.21 -2.00 0.00 0.00 174.74 173.15 1s4c s LYS 131 N -3.48 0.66 1.10 -0.38 2.20 -0.19 -0.92 119.74 118.73 1s4c s LYS 131 Ca 0.02 -1.54 -0.18 0.00 -0.36 0.00 0.00 55.97 53.92 1s4c s LYS 131 Cb 0.04 -1.28 0.25 0.00 -1.51 0.00 0.00 37.83 35.33 1s4c s LYS 131 CO -0.09 -1.27 1.22 -2.14 -0.36 0.00 0.00 175.35 172.71 1s4c s PRO 132 N 0.78 -0.41 -1.30 4.03 0.02 -1.26 -2.06 135.00 134.79 1s4c s PRO 132 Ca 0.23 -0.26 -0.02 0.00 0.02 0.00 0.00 61.00 60.97 1s4c s PRO 132 Cb -0.14 -1.71 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1s4c s PRO 132 CO -0.06 -3.14 0.25 0.00 -0.33 0.00 0.00 177.00 173.72 1s4c n VAL 135 N 0.61 0.13 0.00 0.00 0.31 -1.26 -2.45 118.33 115.67 1s4c n VAL 135 Ca -0.05 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1s4c n VAL 135 Cb 0.52 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 1s4c n VAL 135 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1s4c n ILE 143 N 7.59 0.00 -4.53 2.52 -5.35 -1.26 -4.79 119.36 113.54 1s4c n ILE 143 Ca 0.40 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.54 1s4c n ILE 143 Cb 0.35 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.14 1s4c n ILE 143 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1s4c s LYS 144 N -4.47 2.91 0.28 6.28 2.20 -0.85 -3.62 119.74 122.47 1s4c s LYS 144 Ca 0.00 -0.50 -0.18 0.00 -0.36 0.00 0.00 55.97 54.92 1s4c s LYS 144 Cb 0.00 -2.68 0.01 0.00 -1.51 0.00 0.00 37.83 33.65 1s4c s LYS 144 CO 0.00 0.63 0.65 -1.59 -0.36 0.00 0.00 175.35 174.68 1s4c s LYS 145 N -0.71 1.74 0.07 4.03 -2.85 -0.65 -0.71 119.74 120.67 1s4c s LYS 145 Ca 0.11 -1.10 -0.02 0.00 -1.00 0.00 0.00 55.97 53.96 1s4c s LYS 145 Cb -0.11 0.57 -0.03 0.00 -2.06 0.00 0.00 37.83 36.19 1s4c s LYS 145 CO 0.02 -0.78 0.02 -0.48 0.10 0.00 0.00 175.35 174.23 1s4c s LEU 146 N -2.96 2.19 -0.07 2.77 0.05 -0.42 -1.16 118.68 119.09 1s4c s LEU 146 Ca 0.15 -1.00 -0.03 0.00 0.05 0.00 0.00 54.13 53.30 1s4c s LEU 146 Cb -0.04 0.34 0.04 0.00 -2.05 0.00 0.00 46.19 44.48 1s4c s LEU 146 CO 0.08 -0.65 0.11 0.68 -0.55 0.00 0.00 176.35 176.02 1s4c s VAL 147 N -3.94 -0.18 0.23 1.48 -7.23 -0.55 -1.41 120.40 108.80 1s4c s VAL 147 Ca 0.10 0.37 -0.18 0.00 -1.81 0.00 0.00 61.98 60.46 1s4c s VAL 147 Cb 0.07 -0.23 -0.08 0.00 0.56 0.00 0.00 36.38 36.70 1s4c s VAL 147 CO -0.08 0.15 0.71 -0.69 -0.31 0.00 0.00 175.10 174.88 1s4c s VAL 148 N 2.23 4.61 -0.18 1.32 1.01 0.20 -1.75 120.40 127.83 1s4c s VAL 148 Ca 0.04 1.19 -0.01 0.00 0.00 0.00 0.00 61.98 63.21 1s4c s VAL 148 Cb -0.12 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1s4c s VAL 148 CO -0.05 0.15 -0.13 -0.54 0.00 0.00 0.00 175.10 174.53 1s4c s LYS 149 N -2.14 3.20 -0.02 2.72 -0.14 0.84 -1.39 119.74 122.81 1s4c s LYS 149 Ca 0.44 -0.74 0.00 0.00 -1.36 0.00 0.00 55.97 54.32 1s4c s LYS 149 Cb -0.15 -2.72 0.02 0.00 -1.68 0.00 0.00 37.83 33.29 1s4c s LYS 149 CO 0.20 -0.11 0.00 0.14 -0.76 0.00 0.00 175.35 174.82 1s4c s VAL 150 N 1.15 0.13 0.21 3.17 -7.23 -0.78 -3.16 120.40 113.89 1s4c s VAL 150 Ca 0.01 0.07 -0.31 0.00 -1.81 0.00 0.00 61.98 59.93 1s4c s VAL 150 Cb -0.14 -0.21 -0.11 0.00 0.56 0.00 0.00 36.38 36.48 1s4c s VAL 150 CO -0.05 0.11 1.63 -2.84 -0.31 0.00 0.00 175.10 173.65 1s4c s PRO 151 N 0.76 4.16 0.47 4.82 0.02 -1.26 -0.29 135.00 143.68 1s4c s PRO 151 Ca -0.07 2.50 0.13 0.00 0.02 0.00 0.00 61.00 63.58 1s4c s PRO 151 Cb -0.10 -3.09 1.10 0.00 0.02 0.00 0.00 34.50 32.42 1s4c s PRO 151 CO -0.02 -0.67 2.10 -0.39 -0.33 0.00 0.00 177.00 177.70 1s4c h VAL 152 N 3.80 1.03 -1.52 3.83 -1.51 -1.33 -1.75 116.25 118.80 1s4c h VAL 152 Ca -0.44 -0.08 0.44 0.00 -1.23 0.00 0.00 66.70 65.39 1s4c h VAL 152 Cb 1.21 0.77 -0.07 0.00 -2.13 0.00 0.00 31.29 31.07 1s4c h VAL 152 CO 0.91 0.04 1.08 0.11 -1.23 0.00 0.00 177.57 178.48 1s4c h LYS 153 N 0.24 0.02 -0.00 5.19 1.57 -1.90 0.78 116.57 122.47 1s4c h LYS 153 Ca 0.08 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1s4c h LYS 153 Cb 0.02 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1s4c h LYS 153 CO -0.02 0.01 -0.11 1.28 -0.57 0.00 0.00 179.45 180.05 1s4c n LEU 154 N -4.14 0.21 -0.40 2.94 4.32 -0.66 -5.24 117.00 114.04 1s4c n LEU 154 Ca 0.34 0.24 0.14 0.00 -0.02 0.00 0.00 56.01 56.71 1s4c n LEU 154 Cb 1.56 -0.32 0.60 0.00 -1.62 0.00 0.00 43.42 43.64 1s4c n LEU 154 CO 0.40 0.04 0.91 0.00 -1.22 0.00 0.00 177.39 177.53