#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 2.52 -0.07 3.17 1.01 -1.05 -4.95 121.20 121.83 1s4c s ILE 2 Ca 0.00 -1.16 -0.01 0.00 0.00 0.00 0.00 60.65 59.49 1s4c s ILE 2 Cb 0.00 -2.00 0.03 0.00 0.01 0.00 0.00 42.46 40.50 1s4c s ILE 2 CO 0.00 0.43 -0.01 -0.63 0.00 0.00 0.00 174.94 174.73 1s4c s ILE 3 N -0.81 0.44 0.00 2.92 1.01 -1.26 -1.24 121.20 122.26 1s4c s ILE 3 Ca 0.13 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1s4c s ILE 3 Cb -0.10 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.80 1s4c s ILE 3 CO 0.02 0.26 0.00 -0.24 0.00 0.00 0.00 174.94 174.99 1s4c n SER 4 N 4.96 0.00 -3.69 3.58 2.88 -0.23 -5.01 113.62 116.12 1s4c n SER 4 Ca -0.10 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.33 1s4c n SER 4 Cb 0.50 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.87 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 1.63 -0.61 0.57 -3.46 0.15 -1.26 -1.75 113.70 108.97 1s4c s SER 5 Ca 0.00 1.06 0.33 0.00 0.70 0.00 0.00 55.95 58.05 1s4c s SER 5 Cb 0.00 0.99 1.72 0.00 -1.71 0.00 0.00 66.02 67.02 1s4c s SER 5 CO 0.00 -0.20 2.15 -0.07 1.20 0.00 0.00 173.24 176.32 1s4c h LEU 6 N 6.49 0.00 0.00 3.45 3.38 -1.55 -2.91 115.31 124.18 1s4c h LEU 6 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1s4c h LEU 6 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1s4c h LEU 6 CO 0.23 0.06 -1.06 0.41 0.09 0.00 0.00 178.44 178.17 1s4c n THR 7 N -3.43 0.27 -3.09 0.22 -1.04 -1.26 -4.91 114.28 101.05 1s4c n THR 7 Ca -0.02 -0.34 -0.39 0.00 -2.04 0.00 0.00 64.05 61.26 1s4c n THR 7 Cb 0.19 0.03 -0.05 0.00 -1.82 0.00 0.00 70.33 68.68 1s4c n THR 7 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1s4c s ASN 8 N -4.32 7.01 0.49 8.00 2.20 -1.10 -4.90 114.94 122.31 1s4c s ASN 8 Ca 0.02 1.21 0.28 0.00 -0.94 0.00 0.00 52.86 53.43 1s4c s ASN 8 Cb 0.13 -2.40 1.53 0.00 -2.00 0.00 0.00 41.25 38.51 1s4c s ASN 8 CO 0.80 -0.03 1.84 1.55 -2.94 0.00 0.00 177.10 178.32 1s4c h PRO 9 N 6.29 0.00 -0.65 3.55 0.13 -1.91 -1.98 132.00 137.44 1s4c h PRO 9 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1s4c h PRO 9 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1s4c h PRO 9 CO 0.73 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.59 1s4c n ASN 10 N -2.57 3.75 0.01 1.44 3.02 -1.26 -4.77 115.26 114.88 1s4c n ASN 10 Ca -0.02 -2.00 0.17 0.00 -0.03 0.00 0.00 54.58 52.70 1s4c n ASN 10 Cb 0.17 -0.43 0.64 0.00 -0.61 0.00 0.00 39.78 39.54 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 3.93 0.11 -0.00 3.10 -5.15 -1.60 0.64 116.94 117.97 1s4c h PHE 11 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1s4c h PHE 11 Cb 0.95 -0.04 0.00 0.00 0.22 0.00 0.00 35.95 37.08 1s4c h PHE 11 CO 0.43 0.05 -0.00 1.63 -2.00 0.00 0.00 178.31 178.42 1s4c n LYS 12 N -4.43 0.96 -1.89 6.09 4.76 -1.26 -4.61 118.16 117.79 1s4c n LYS 12 Ca 0.08 -0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.06 1s4c n LYS 12 Cb 0.48 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.15 1s4c n LYS 12 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1s4c s VAL 13 N -2.07 3.38 0.00 -0.18 1.01 0.21 -1.91 120.40 120.84 1s4c s VAL 13 Ca 0.45 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1s4c s VAL 13 Cb 0.22 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1s4c s VAL 13 CO 0.38 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1s4c n GLY 14 N 4.45 1.45 3.73 4.51 0.00 -1.26 -4.97 105.19 113.10 1s4c n GLY 14 Ca 0.19 0.00 -0.42 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 4.40 0.28 0.99 1.43 -0.80 -4.99 118.68 119.99 1s4c s LEU 15 Ca 0.00 2.38 -0.29 0.00 -1.03 0.00 0.00 54.13 55.19 1s4c s LEU 15 Cb 0.00 -3.60 -0.14 0.00 0.03 0.00 0.00 46.19 42.48 1s4c s LEU 15 CO 0.00 -0.58 1.07 -2.65 0.23 0.00 0.00 176.35 174.42 1s4c n PRO 16 N 3.11 1.44 -0.02 1.29 -0.02 -1.26 -4.72 135.00 134.83 1s4c n PRO 16 Ca 0.08 0.51 -0.09 0.00 -2.02 0.00 0.00 63.50 61.98 1s4c n PRO 16 Cb 0.43 -1.92 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 1s4c n PRO 16 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1s4c h LYS 17 N 2.25 -0.25 -0.66 -0.52 -0.00 -1.95 0.09 116.57 115.53 1s4c h LYS 17 Ca -0.41 0.02 0.14 0.00 -0.00 0.00 0.00 60.65 60.40 1s4c h LYS 17 Cb 1.33 0.06 -0.04 0.00 -0.00 0.00 0.00 32.23 33.58 1s4c h LYS 17 CO 0.62 -0.17 0.45 -0.24 -0.00 0.00 0.00 179.45 180.11 1s4c h VAL 18 N -0.26 0.79 0.01 0.07 3.04 -1.89 0.16 116.25 118.16 1s4c h VAL 18 Ca 0.11 -0.10 -0.27 0.00 -1.01 0.00 0.00 66.70 65.44 1s4c h VAL 18 Cb 0.43 0.49 0.02 0.00 -2.01 0.00 0.00 31.29 30.22 1s4c h VAL 18 CO -0.32 0.05 -1.05 0.40 -1.01 0.00 0.00 177.57 175.64 1s4c h ILE 19 N 0.28 1.28 -0.83 3.17 2.04 -1.41 -1.93 117.51 120.11 1s4c h ILE 19 Ca 0.32 -2.26 0.11 0.00 1.00 0.00 0.00 64.86 64.03 1s4c h ILE 19 Cb 0.86 2.41 -0.06 0.00 -0.74 0.00 0.00 36.82 39.29 1s4c h ILE 19 CO -0.07 0.70 0.54 0.00 0.00 0.00 0.00 178.15 179.31 1s4c h ALA 20 N 0.39 1.76 -0.16 1.87 0.00 -0.03 0.88 119.26 123.97 1s4c h ALA 20 Ca -0.13 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1s4c h ALA 20 Cb 1.71 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1s4c h ALA 20 CO 0.21 0.05 -0.30 0.93 0.00 0.00 0.00 179.25 180.14 1s4c h GLU 21 N 0.74 0.49 -0.75 0.00 5.08 -0.67 -0.28 114.58 119.19 1s4c h GLU 21 Ca 0.39 -0.31 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1s4c h GLU 21 Cb 0.51 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 1s4c h GLU 21 CO -0.16 0.91 0.44 0.28 -1.00 0.00 0.00 179.01 179.48 1s4c h VAL 22 N 0.12 1.01 -0.32 3.13 2.07 -0.86 -1.78 116.25 119.61 1s4c h VAL 22 Ca 0.01 -0.28 -0.17 0.00 0.82 0.00 0.00 66.70 67.08 1s4c h VAL 22 Cb 0.89 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1s4c h VAL 22 CO 0.07 0.15 -0.45 0.00 0.02 0.00 0.00 177.57 177.35 1s4c h ASP 24 N 0.68 0.84 -0.10 0.00 3.32 -0.89 -1.62 116.42 118.64 1s4c h ASP 24 Ca 0.04 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.06 1s4c h ASP 24 Cb 1.04 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.34 1s4c h ASP 24 CO 0.10 0.65 -0.11 0.22 -1.72 0.00 0.00 179.24 178.39 1s4c h TYR 25 N 0.95 -0.27 0.00 4.55 3.20 -0.98 -2.13 116.97 122.29 1s4c h TYR 25 Ca 0.25 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 1s4c h TYR 25 Cb -0.03 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1s4c h TYR 25 CO -0.01 -0.17 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.24 1s4c h LEU 26 N -0.14 0.00 -0.50 2.82 3.38 -0.46 -1.05 115.31 119.36 1s4c h LEU 26 Ca 0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1s4c h LEU 26 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1s4c h LEU 26 CO -0.19 0.03 -0.51 0.78 0.09 0.00 0.00 178.44 178.64 1s4c h ASN 27 N 0.00 0.00 0.37 -0.43 2.35 -0.66 -2.19 115.58 115.02 1s4c h ASN 27 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1s4c h ASN 27 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1s4c h ASN 27 CO 0.00 0.51 0.00 0.41 -1.65 0.00 0.00 177.43 176.71 1s4c n THR 28 N -3.43 0.91 -3.83 2.81 -1.04 -0.40 -4.88 114.28 104.43 1s4c n THR 28 Ca 0.00 0.49 -0.22 0.00 -2.04 0.00 0.00 64.05 62.29 1s4c n THR 28 Cb 0.64 -1.46 -0.04 0.00 -1.82 0.00 0.00 70.33 67.65 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 -4.57 3.44 -0.61 -4.42 1.43 -0.82 -5.07 118.68 108.06 1s4c s LEU 29 Ca 0.01 -0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 52.29 1s4c s LEU 29 Cb 0.08 -2.02 0.14 0.00 0.03 0.00 0.00 46.19 44.41 1s4c s LEU 29 CO 0.30 -0.43 0.61 -0.62 0.23 0.00 0.00 176.35 176.44 1s4c s ASP 30 N -3.99 6.29 0.22 2.29 2.15 -1.26 -4.93 116.67 117.43 1s4c s ASP 30 Ca 0.42 -1.85 0.04 0.00 0.43 0.00 0.00 52.55 51.59 1s4c s ASP 30 Cb -0.04 -2.24 0.20 0.00 -0.30 0.00 0.00 42.92 40.54 1s4c s ASP 30 CO 0.26 -0.88 1.53 -0.07 -0.17 0.00 0.00 175.17 175.83 1s4c h LEU 31 N 9.02 0.29 -1.87 -1.34 4.07 -1.97 -1.77 115.31 121.75 1s4c h LEU 31 Ca -0.22 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 57.55 1s4c h LEU 31 Cb 1.09 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.74 1s4c h LEU 31 CO 1.01 0.86 -0.02 -1.13 -1.08 0.00 0.00 178.44 178.08 1s4c h ASN 32 N 0.18 0.00 -0.42 -0.43 -0.73 -1.91 -2.21 115.58 110.06 1s4c h ASN 32 Ca -0.01 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.16 1s4c h ASN 32 Cb 1.17 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.76 1s4c h ASN 32 CO 0.10 0.02 0.00 0.00 -0.37 0.00 0.00 177.43 177.18 1s4c n ALA 33 N -2.11 2.44 -2.18 1.57 0.00 -0.67 -4.93 120.51 114.62 1s4c n ALA 33 Ca -0.00 -0.89 -0.41 0.00 0.00 0.00 0.00 53.44 52.13 1s4c n ALA 33 Cb 0.25 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 1s4c n ALA 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s4c s LEU 34 N -1.29 4.45 0.10 0.00 1.43 -0.83 -4.97 118.68 117.57 1s4c s LEU 34 Ca 0.37 2.06 -0.31 0.00 -1.03 0.00 0.00 54.13 55.22 1s4c s LEU 34 Cb 0.20 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.73 1s4c s LEU 34 CO 0.28 -0.30 1.79 -1.61 0.23 0.00 0.00 176.35 176.74 1s4c s GLU 35 N 0.06 4.15 0.65 1.70 2.02 -1.26 -5.01 118.70 121.01 1s4c s GLU 35 Ca 0.52 2.52 -0.17 0.00 0.02 0.00 0.00 54.97 57.86 1s4c s GLU 35 Cb -0.29 -3.62 -0.13 0.00 0.10 0.00 0.00 34.13 30.19 1s4c s GLU 35 CO 0.33 -0.82 -0.12 0.09 0.02 0.00 0.00 175.26 174.77 1s4c n ASN 36 N 5.74 -3.59 0.00 -0.19 3.02 -1.26 -4.71 115.26 114.26 1s4c n ASN 36 Ca 0.17 0.55 0.00 0.00 -0.03 0.00 0.00 54.58 55.27 1s4c n ASN 36 Cb 0.39 -0.91 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 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 2.53 0.53 3.64 7.41 0.00 0.28 -4.89 105.19 114.68 1s4c n GLY 37 Ca 0.06 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.11 4.01 -0.20 1.61 3.52 -1.26 -2.46 118.95 123.06 1s4c s ARG 38 Ca 0.00 1.17 -0.07 0.00 -0.13 0.00 0.00 55.73 56.70 1s4c s ARG 38 Cb 0.00 -3.80 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 1s4c s ARG 38 CO 0.00 -0.99 0.06 -1.01 -0.81 0.00 0.00 175.30 172.55 1s4c s HIS 39 N 3.96 3.20 0.61 5.12 3.76 -0.44 -4.95 115.29 126.55 1s4c s HIS 39 Ca 0.51 -0.05 -0.11 0.00 -0.15 0.00 0.00 55.06 55.26 1s4c s HIS 39 Cb -0.14 -2.11 -0.04 0.00 1.11 0.00 0.00 32.58 31.40 1s4c s HIS 39 CO 0.19 0.03 1.02 -0.51 -0.85 0.00 0.00 174.74 174.62 1s4c s ASP 40 N 0.64 6.24 0.00 1.40 1.01 -1.26 0.27 116.67 124.97 1s4c s ASP 40 Ca 0.03 1.40 0.00 0.00 0.71 0.00 0.00 52.55 54.69 1s4c s ASP 40 Cb -0.13 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1s4c s ASP 40 CO 0.02 -0.85 0.00 -0.38 0.21 0.00 0.00 175.17 174.17 1s4c n ILE 41 N -2.70 0.00 -4.30 0.77 5.41 0.33 -4.84 119.36 114.03 1s4c n ILE 41 Ca 0.06 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.61 1s4c n ILE 41 Cb 0.54 -0.21 -0.08 0.00 -0.71 0.00 0.00 39.64 39.18 1s4c n ILE 41 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1s4c s ASN 42 N -3.20 1.66 0.63 4.38 3.84 -0.87 -4.96 114.94 116.41 1s4c s ASN 42 Ca 0.00 -1.72 0.40 0.00 0.21 0.00 0.00 52.86 51.75 1s4c s ASN 42 Cb 0.00 0.54 2.09 0.00 -0.55 0.00 0.00 41.25 43.33 1s4c s ASN 42 CO 0.00 -1.03 2.26 -0.78 -2.79 0.00 0.00 177.10 174.77 1s4c h ASP 43 N 2.14 0.00 0.00 -4.21 3.58 -2.04 -3.31 116.42 112.58 1s4c h ASP 43 Ca -0.27 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1s4c h ASP 43 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1s4c h ASP 43 CO 0.40 0.01 -0.10 0.00 -2.88 0.00 0.00 179.24 176.67 1s4c n GLN 44 N -3.22 4.58 -5.25 0.28 6.02 -1.26 -5.05 117.38 113.49 1s4c n GLN 44 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.65 1s4c n GLN 44 Cb 0.13 -0.43 -0.16 0.00 1.02 0.00 0.00 30.24 30.80 1s4c n GLN 44 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1s4c s ILE 45 N -0.82 2.12 0.17 5.09 1.01 -1.25 -4.53 121.20 123.00 1s4c s ILE 45 Ca 0.00 -1.05 -0.07 0.00 0.00 0.00 0.00 60.65 59.53 1s4c s ILE 45 Cb 0.00 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 1s4c s ILE 45 CO 0.00 0.57 0.25 -0.72 0.00 0.00 0.00 174.94 175.04 1s4c s TYR 46 N -0.28 0.56 0.08 3.97 1.13 -1.19 -0.52 117.35 121.11 1s4c s TYR 46 Ca -0.00 -0.91 0.03 0.00 -1.41 0.00 0.00 57.07 54.78 1s4c s TYR 46 Cb -0.13 -0.16 -0.03 0.00 -1.10 0.00 0.00 41.96 40.54 1s4c s TYR 46 CO 0.03 -0.70 -0.10 0.00 -2.51 0.00 0.00 175.55 172.26 1s4c s MET 47 N -4.01 0.78 -0.21 -3.49 0.23 0.14 -0.64 119.30 112.10 1s4c s MET 47 Ca 0.21 -1.07 -0.06 0.00 -1.03 0.00 0.00 55.69 53.75 1s4c s MET 47 Cb 0.04 -0.49 -0.03 0.00 -1.53 0.00 0.00 34.83 32.82 1s4c s MET 47 CO 0.03 0.08 0.01 -0.80 -2.03 0.00 0.00 175.02 172.31 1s4c s ASN 48 N -2.24 4.91 -0.12 -1.18 0.01 -0.38 -1.32 114.94 114.62 1s4c s ASN 48 Ca 0.02 -0.20 -0.03 0.00 -0.71 0.00 0.00 52.86 51.94 1s4c s ASN 48 Cb -0.04 -1.85 -0.03 0.00 0.41 0.00 0.00 41.25 39.74 1s4c s ASN 48 CO -0.00 0.05 0.01 -0.69 -1.51 0.00 0.00 177.10 174.96 1s4c s VAL 49 N 1.10 4.39 0.11 1.60 1.01 -1.03 -1.38 120.40 126.20 1s4c s VAL 49 Ca 0.03 -0.20 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 1s4c s VAL 49 Cb -0.14 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1s4c s VAL 49 CO 0.02 0.56 0.25 -0.04 0.00 0.00 0.00 175.10 175.89 1s4c s MET 50 N -0.46 0.95 -0.46 2.72 1.00 -0.88 0.10 119.30 122.28 1s4c s MET 50 Ca 0.08 -0.94 0.07 0.00 0.00 0.00 0.00 55.69 54.90 1s4c s MET 50 Cb -0.12 0.38 0.23 0.00 0.00 0.00 0.00 34.83 35.32 1s4c s MET 50 CO 0.02 -0.33 0.53 0.39 0.00 0.00 0.00 175.02 175.63 1s4c n GLU 51 N -0.12 0.99 0.00 2.03 1.02 -1.26 -2.39 120.64 120.91 1s4c n GLU 51 Ca -0.14 -3.54 0.00 0.00 -0.02 0.00 0.00 57.16 53.46 1s4c n GLU 51 Cb 0.63 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 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 1.61 2.82 -0.67 3.49 -0.04 -1.24 -4.81 135.00 136.16 1s4c n PRO 52 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1s4c n PRO 52 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 1s4c n PRO 52 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1s4c n LYS 61 N 0.00 0.00 -3.32 0.54 0.00 -1.26 -4.55 118.16 109.57 1s4c n LYS 61 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.00 1s4c n LYS 61 Cb 0.00 -0.32 -0.05 0.00 -0.00 0.00 0.00 35.03 34.66 1s4c n LYS 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s4c s ALA 62 N -1.84 3.53 0.28 0.58 0.00 0.37 -4.76 121.76 119.93 1s4c s ALA 62 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 51.70 1s4c s ALA 62 Cb 0.00 -2.46 -0.06 0.00 0.00 0.00 0.00 23.12 20.60 1s4c s ALA 62 CO 0.00 0.39 0.03 -1.83 0.00 0.00 0.00 175.76 174.35 1s4c s GLU 63 N -3.09 1.51 0.01 0.00 -1.05 -0.35 -1.18 118.70 114.55 1s4c s GLU 63 Ca 0.48 -1.80 -0.23 0.00 -0.15 0.00 0.00 54.97 53.26 1s4c s GLU 63 Cb -0.11 -0.74 0.05 0.00 -0.44 0.00 0.00 34.13 32.90 1s4c s GLU 63 CO 0.24 -0.15 0.52 -0.48 0.95 0.00 0.00 175.26 176.34 1s4c s LEU 64 N -3.40 -0.04 0.24 1.83 2.34 -0.82 -1.43 118.68 117.40 1s4c s LEU 64 Ca 0.33 0.28 0.09 0.00 0.06 0.00 0.00 54.13 54.90 1s4c s LEU 64 Cb 0.07 2.07 -0.05 0.00 -0.56 0.00 0.00 46.19 47.72 1s4c s LEU 64 CO 0.13 -0.65 -0.16 -1.00 -1.06 0.00 0.00 176.35 173.61 1s4c s HIS 65 N -1.97 1.95 -0.14 3.48 3.76 -1.26 -1.11 115.29 120.00 1s4c s HIS 65 Ca -0.08 -0.48 -0.02 0.00 -0.15 0.00 0.00 55.06 54.34 1s4c s HIS 65 Cb -0.01 -0.88 -0.08 0.00 1.11 0.00 0.00 32.58 32.72 1s4c s HIS 65 CO 0.02 0.50 -0.14 0.72 -0.85 0.00 0.00 174.74 174.99 1s4c n HIS 66 N -0.48 0.00 -0.05 1.40 8.25 -1.26 0.26 115.22 123.33 1s4c n HIS 66 Ca -0.07 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.38 1s4c n HIS 66 Cb 0.60 -0.51 -0.15 0.00 1.12 0.00 0.00 29.99 31.06 1s4c n HIS 66 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1s4c n GLU 67 N -3.12 0.67 -4.77 -0.41 1.02 -1.26 -4.75 120.64 108.01 1s4c n GLU 67 Ca -0.25 -0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.58 1s4c n GLU 67 Cb 0.73 -1.58 -0.14 0.00 -0.02 0.00 0.00 31.44 30.43 1s4c n GLU 67 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1s4c s TYR 68 N -2.89 2.32 0.25 -0.32 1.51 -1.26 -1.04 117.35 115.92 1s4c s TYR 68 Ca -0.08 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.55 1s4c s TYR 68 Cb 0.09 -1.36 -0.05 0.00 -0.11 0.00 0.00 41.96 40.54 1s4c s TYR 68 CO 0.85 0.18 0.47 -0.48 -1.11 0.00 0.00 175.55 175.46 1s4c s LEU 69 N -1.45 4.14 -0.10 -1.29 2.34 0.24 -4.04 118.68 118.52 1s4c s LEU 69 Ca 0.12 0.54 -0.03 0.00 0.06 0.00 0.00 54.13 54.83 1s4c s LEU 69 Cb -0.10 -3.34 -0.03 0.00 -0.56 0.00 0.00 46.19 42.16 1s4c s LEU 69 CO 0.03 -0.12 0.01 -1.81 -1.06 0.00 0.00 176.35 173.40 1s4c s ASP 70 N -3.20 5.31 -0.29 1.48 1.11 -0.17 -1.57 116.67 119.35 1s4c s ASP 70 Ca 0.41 0.14 0.01 0.00 0.18 0.00 0.00 52.55 53.29 1s4c s ASP 70 Cb -0.11 -1.58 0.06 0.00 1.07 0.00 0.00 42.92 42.37 1s4c s ASP 70 CO 0.30 0.35 -0.04 0.54 1.18 0.00 0.00 175.17 177.50 1s4c s VAL 71 N -0.69 2.53 -0.05 -1.27 0.11 0.05 -0.63 120.40 120.45 1s4c s VAL 71 Ca 0.11 -1.66 -0.21 0.00 -2.93 0.00 0.00 61.98 57.29 1s4c s VAL 71 Cb -0.12 -2.54 -0.05 0.00 -1.53 0.00 0.00 36.38 32.15 1s4c s VAL 71 CO 0.02 -0.16 0.60 -1.10 -3.33 0.00 0.00 175.10 171.13 1s4c s GLN 72 N 1.13 4.36 -0.08 1.54 -0.21 0.11 -0.71 119.66 125.80 1s4c s GLN 72 Ca -0.04 0.71 0.01 0.00 0.02 0.00 0.00 55.36 56.05 1s4c s GLN 72 Cb -0.20 -3.40 0.02 0.00 1.00 0.00 0.00 33.01 30.43 1s4c s GLN 72 CO -0.04 0.22 -0.09 0.08 -2.12 0.00 0.00 175.29 173.35 1s4c s VAL 73 N 0.32 0.95 -0.04 1.09 1.01 -0.21 -0.59 120.40 122.93 1s4c s VAL 73 Ca 0.32 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 1s4c s VAL 73 Cb -0.17 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1s4c s VAL 73 CO 0.16 0.33 0.95 -0.22 0.00 0.00 0.00 175.10 176.32 1s4c s LEU 74 N 1.16 4.33 -0.25 3.92 2.96 -1.02 -1.09 118.68 128.70 1s4c s LEU 74 Ca -0.06 1.55 -0.04 0.00 -0.22 0.00 0.00 54.13 55.37 1s4c s LEU 74 Cb -0.14 -3.49 -0.17 0.00 0.50 0.00 0.00 46.19 42.89 1s4c s LEU 74 CO -0.02 -0.29 -0.18 -0.38 -1.32 0.00 0.00 176.35 174.16 1s4c n ILE 75 N 4.07 1.53 -3.79 6.68 5.41 0.10 0.31 119.36 133.67 1s4c n ILE 75 Ca 0.06 -0.51 -0.13 0.00 1.00 0.00 0.00 62.75 63.16 1s4c n ILE 75 Cb 0.50 -1.59 -0.14 0.00 -0.71 0.00 0.00 39.64 37.70 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 -2.51 0.08 0.00 0.38 3.52 -0.50 -4.62 118.95 115.30 1s4c s ARG 76 Ca -0.34 0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 1s4c s ARG 76 Cb 0.10 -0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 1s4c s ARG 76 CO 0.59 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 175.39 1s4c n GLY 77 N 3.67 -1.41 3.17 8.12 0.00 -1.26 -1.04 105.19 116.44 1s4c n GLY 77 Ca -0.20 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.50 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 1.38 -0.00 2.61 2.01 -1.26 -3.86 115.64 116.52 1s4c s THR 78 Ca 0.00 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1s4c s THR 78 Cb 0.00 -1.17 -0.00 0.00 0.01 0.00 0.00 72.50 71.34 1s4c s THR 78 CO 0.00 0.33 -0.02 -0.70 -0.69 0.00 0.00 174.62 173.53 1s4c s GLU 79 N -0.58 0.18 -0.08 4.92 2.12 -0.71 -4.71 118.70 119.83 1s4c s GLU 79 Ca 0.06 -0.08 -0.04 0.00 0.36 0.00 0.00 54.97 55.28 1s4c s GLU 79 Cb -0.07 -0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.11 1s4c s GLU 79 CO -0.00 0.05 0.08 -0.80 -0.54 0.00 0.00 175.26 174.05 1s4c s ASN 80 N -0.06 5.85 -0.05 -1.70 0.01 -0.91 0.15 114.94 118.22 1s4c s ASN 80 Ca 0.01 0.29 0.00 0.00 -0.71 0.00 0.00 52.86 52.45 1s4c s ASN 80 Cb -0.01 -1.77 0.02 0.00 0.41 0.00 0.00 41.25 39.90 1s4c s ASN 80 CO -0.00 0.36 -0.02 -0.63 -1.51 0.00 0.00 177.10 175.30 1s4c s ILE 81 N -1.03 0.42 -0.04 0.60 1.01 -0.22 -1.76 121.20 120.19 1s4c s ILE 81 Ca 0.17 -0.00 -0.20 0.00 0.00 0.00 0.00 60.65 60.62 1s4c s ILE 81 Cb -0.12 -0.50 -0.05 0.00 0.01 0.00 0.00 42.46 41.80 1s4c s ILE 81 CO 0.06 0.22 0.55 -1.61 0.00 0.00 0.00 174.94 174.17 1s4c s GLU 82 N 1.30 4.30 0.22 2.79 2.02 -0.78 -0.19 118.70 128.36 1s4c s GLU 82 Ca -0.05 0.64 0.02 0.00 0.02 0.00 0.00 54.97 55.59 1s4c s GLU 82 Cb -0.13 -3.36 -0.05 0.00 0.10 0.00 0.00 34.13 30.68 1s4c s GLU 82 CO -0.02 0.32 0.05 0.14 0.02 0.00 0.00 175.26 175.77 1s4c s VAL 83 N 0.01 0.67 -0.06 2.63 -7.23 0.31 -1.19 120.40 115.53 1s4c s VAL 83 Ca 0.29 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.47 1s4c s VAL 83 Cb -0.17 -2.40 0.02 0.00 0.56 0.00 0.00 36.38 34.39 1s4c s VAL 83 CO 0.15 -0.22 -0.03 -0.83 -0.31 0.00 0.00 175.10 173.86 1s4c s GLY 84 N -3.26 0.48 0.26 2.32 0.00 -0.66 -1.83 107.32 104.62 1s4c s GLY 84 Ca 0.31 -0.12 0.14 0.00 0.00 0.00 0.00 44.72 45.05 1s4c s GLY 84 CO 0.09 0.78 1.44 0.00 0.00 0.00 0.00 173.10 175.41 1s4c h ALA 85 N 7.76 0.64 -2.34 3.20 0.00 -1.88 -3.35 119.26 123.28 1s4c h ALA 85 Ca -0.29 -0.53 -0.50 0.00 0.00 0.00 0.00 54.91 53.59 1s4c h ALA 85 Cb 1.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1s4c h ALA 85 CO 0.37 0.73 0.06 0.95 0.00 0.00 0.00 179.25 181.37 1s4c s THR 86 N -2.96 4.73 0.26 0.00 -4.23 -1.26 -5.01 115.64 107.17 1s4c s THR 86 Ca 0.03 0.83 -0.30 0.00 -1.18 0.00 0.00 61.69 61.07 1s4c s THR 86 Cb 0.08 -3.62 -0.10 0.00 1.34 0.00 0.00 72.50 70.20 1s4c s THR 86 CO 0.75 -0.21 1.36 -0.47 -0.54 0.00 0.00 174.62 175.52 1s4c s TYR 87 N -2.00 3.11 0.37 3.99 5.04 -1.26 -4.90 117.35 121.70 1s4c s TYR 87 Ca 0.53 1.21 -0.23 0.00 -2.44 0.00 0.00 57.07 56.14 1s4c s TYR 87 Cb -0.10 -3.70 -0.10 0.00 0.35 0.00 0.00 41.96 38.40 1s4c s TYR 87 CO 0.20 -2.16 0.93 -1.25 -1.34 0.00 0.00 175.55 171.93 1s4c s PRO 88 N -0.72 4.38 -0.44 4.97 0.04 -1.26 -4.99 135.00 136.97 1s4c s PRO 88 Ca 0.55 1.19 -0.28 0.00 0.04 0.00 0.00 61.00 62.50 1s4c s PRO 88 Cb -0.39 -2.49 -0.02 0.00 0.04 0.00 0.00 34.50 31.63 1s4c s PRO 88 CO 0.44 0.13 1.81 1.21 0.04 0.00 0.00 177.00 180.64 1s4c s ASN 89 N -1.91 5.65 0.38 6.66 3.84 -1.26 -4.89 114.94 123.41 1s4c s ASN 89 Ca 0.56 0.91 0.28 0.00 0.21 0.00 0.00 52.86 54.81 1s4c s ASN 89 Cb -0.14 -2.53 1.17 0.00 -0.55 0.00 0.00 41.25 39.20 1s4c s ASN 89 CO 0.18 -1.97 1.83 -0.07 -2.79 0.00 0.00 177.10 174.28 1s4c h LEU 90 N 14.78 0.00 -0.81 3.21 3.38 -1.97 -2.43 115.31 131.47 1s4c h LEU 90 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1s4c h LEU 90 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1s4c h LEU 90 CO 1.11 0.00 -0.34 -1.54 0.09 0.00 0.00 178.44 177.76 1s4c n SER 91 N -2.60 1.60 -0.16 -0.43 3.41 -1.26 -2.94 113.62 111.24 1s4c n SER 91 Ca 0.01 -1.26 0.05 0.00 -0.26 0.00 0.00 58.87 57.41 1s4c n SER 91 Cb 0.26 0.28 0.24 0.00 -0.26 0.00 0.00 64.21 64.73 1s4c n SER 91 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s4c n LYS 92 N -0.23 1.20 -4.11 4.33 5.02 -0.91 -4.91 118.16 118.55 1s4c n LYS 92 Ca 0.11 -0.31 -0.25 0.00 -2.02 0.00 0.00 58.31 55.84 1s4c n LYS 92 Cb 0.42 -1.18 -0.05 0.00 -0.02 0.00 0.00 35.03 34.19 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 -1.91 3.10 0.80 2.13 1.51 -1.15 -4.81 117.35 117.03 1s4c s TYR 93 Ca 0.16 -0.05 -0.11 0.00 -1.01 0.00 0.00 57.07 56.06 1s4c s TYR 93 Cb 0.08 -1.47 0.08 0.00 -0.11 0.00 0.00 41.96 40.54 1s4c s TYR 93 CO 0.12 0.52 1.11 -1.21 -1.11 0.00 0.00 175.55 174.98 1s4c s GLU 94 N -3.26 1.95 0.28 -0.62 2.02 0.01 -4.95 118.70 114.13 1s4c s GLU 94 Ca 0.31 1.30 -0.29 0.00 0.02 0.00 0.00 54.97 56.31 1s4c s GLU 94 Cb -0.09 -1.85 -0.13 0.00 0.10 0.00 0.00 34.13 32.15 1s4c s GLU 94 CO 0.23 -1.89 1.25 -0.25 0.02 0.00 0.00 175.26 174.62 1s4c n ASP 95 N -3.63 2.31 -4.66 -0.19 9.92 -1.26 -4.42 116.55 114.62 1s4c n ASP 95 Ca 0.10 1.17 -0.42 0.00 -0.53 0.00 0.00 54.79 55.11 1s4c n ASP 95 Cb 0.53 -1.40 -0.03 0.00 -0.64 0.00 0.00 41.12 39.58 1s4c n ASP 95 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1s4c s TYR 96 N -0.66 2.18 -0.43 1.24 5.04 -1.26 -4.73 117.35 118.72 1s4c s TYR 96 Ca 0.62 0.35 -0.24 0.00 -2.44 0.00 0.00 57.07 55.36 1s4c s TYR 96 Cb -0.65 -3.84 0.02 0.00 0.35 0.00 0.00 41.96 37.84 1s4c s TYR 96 CO 0.57 -3.46 0.83 1.21 -1.34 0.00 0.00 175.55 173.36 1s4c s ASN 97 N 3.01 6.48 0.16 4.32 3.84 -0.63 -4.91 114.94 127.20 1s4c s ASN 97 Ca 0.70 0.09 -0.08 0.00 0.21 0.00 0.00 52.86 53.79 1s4c s ASN 97 Cb -0.32 -2.41 0.01 0.00 -0.55 0.00 0.00 41.25 37.98 1s4c s ASN 97 CO 0.27 -0.91 1.45 -0.33 -2.79 0.00 0.00 177.10 174.80 1s4c h GLU 98 N 8.87 0.74 -0.33 0.43 5.08 -1.93 0.70 114.58 128.13 1s4c h GLU 98 Ca -0.24 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 57.63 1s4c h GLU 98 Cb 1.08 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1s4c h GLU 98 CO 0.97 1.09 0.11 0.00 -1.00 0.00 0.00 179.01 180.18 1s4c h ALA 99 N 0.82 0.43 -0.71 3.43 0.00 -1.98 -2.76 119.26 118.50 1s4c h ALA 99 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1s4c h ALA 99 Cb 1.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1s4c h ALA 99 CO 0.11 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 179.17 1s4c n ASP 100 N -4.68 4.14 -3.75 0.00 8.00 -1.23 -5.02 116.55 114.02 1s4c n ASP 100 Ca -0.01 -2.10 -0.27 0.00 0.71 0.00 0.00 54.79 53.12 1s4c n ASP 100 Cb 0.16 -0.51 0.01 0.00 -0.02 0.00 0.00 41.12 40.76 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 1.53 -5.13 -3.74 -2.24 2.03 0.21 -4.99 116.55 104.22 1s4c n ASP 101 Ca 0.25 -0.93 -0.10 0.00 0.52 0.00 0.00 54.79 54.53 1s4c n ASP 101 Cb 0.68 -2.32 -0.04 0.00 -0.72 0.00 0.00 41.12 38.73 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 -3.15 -0.12 0.08 -0.67 -0.85 -1.05 -4.40 117.35 107.19 1s4c s TYR 102 Ca 0.15 -0.22 0.05 0.00 -0.52 0.00 0.00 57.07 56.53 1s4c s TYR 102 Cb -0.07 0.40 -0.03 0.00 0.38 0.00 0.00 41.96 42.63 1s4c s TYR 102 CO 0.89 -0.92 -0.12 -0.65 -1.52 0.00 0.00 175.55 173.22 1s4c s GLN 103 N -3.87 0.82 0.05 -3.49 -0.21 -0.27 -1.61 119.66 111.07 1s4c s GLN 103 Ca 0.09 -1.02 0.07 0.00 0.02 0.00 0.00 55.36 54.53 1s4c s GLN 103 Cb -0.01 -0.71 -0.03 0.00 1.00 0.00 0.00 33.01 33.26 1s4c s GLN 103 CO -0.03 0.14 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.59 1s4c s LEU 104 N -1.98 2.58 -0.01 2.90 1.43 -1.26 -1.94 118.68 120.41 1s4c s LEU 104 Ca 0.00 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1s4c s LEU 104 Cb -0.08 -1.50 -0.00 0.00 0.03 0.00 0.00 46.19 44.64 1s4c s LEU 104 CO 0.02 0.25 0.04 0.00 0.23 0.00 0.00 176.35 176.88 1s4c h ALA 106 N 5.49 0.64 -2.00 0.00 0.00 -1.87 0.11 119.26 121.62 1s4c h ALA 106 Ca -0.27 0.01 -0.54 0.00 0.00 0.00 0.00 54.91 54.11 1s4c h ALA 106 Cb 1.21 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.77 1s4c h ALA 106 CO 0.45 -0.06 -0.50 0.34 0.00 0.00 0.00 179.25 179.48 1s4c s ASP 107 N -5.52 2.50 -0.12 0.00 2.15 -1.26 -4.08 116.67 110.34 1s4c s ASP 107 Ca -0.13 -1.73 0.02 0.00 0.43 0.00 0.00 52.55 51.14 1s4c s ASP 107 Cb 0.13 0.57 0.01 0.00 -0.30 0.00 0.00 42.92 43.33 1s4c s ASP 107 CO 0.73 -1.00 -0.19 -0.63 -0.17 0.00 0.00 175.17 173.92 1s4c s ILE 108 N -3.27 1.76 0.33 4.11 1.01 -1.26 -4.88 121.20 119.00 1s4c s ILE 108 Ca 0.28 -0.81 -0.26 0.00 0.00 0.00 0.00 60.65 59.87 1s4c s ILE 108 Cb 0.02 -1.57 -0.10 0.00 0.01 0.00 0.00 42.46 40.82 1s4c s ILE 108 CO 0.19 0.49 0.94 -1.81 0.00 0.00 0.00 174.94 174.75 1s4c s ASP 109 N 0.82 7.30 -1.54 3.58 1.01 -1.26 -3.75 116.67 122.83 1s4c s ASP 109 Ca -0.09 1.82 -0.05 0.00 0.71 0.00 0.00 52.55 54.95 1s4c s ASP 109 Cb -0.16 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.20 1s4c s ASP 109 CO -0.00 -0.09 0.60 0.47 0.21 0.00 0.00 175.17 176.36 1s4c n ASP 110 N 0.45 -6.10 -4.84 0.27 8.00 -1.26 -4.77 116.55 108.29 1s4c n ASP 110 Ca 0.02 -0.28 -0.31 0.00 0.71 0.00 0.00 54.79 54.93 1s4c n ASP 110 Cb 0.50 -4.92 0.03 0.00 -0.02 0.00 0.00 41.12 36.72 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 -5.68 3.25 0.30 -1.24 -2.85 -1.25 -4.62 119.74 107.66 1s4c s LYS 111 Ca 0.30 0.90 -0.06 0.00 -1.00 0.00 0.00 55.97 56.11 1s4c s LYS 111 Cb -0.13 -2.03 -0.00 0.00 -2.06 0.00 0.00 37.83 33.60 1s4c s LYS 111 CO 0.37 -0.85 0.45 -0.59 0.10 0.00 0.00 175.35 174.83 1s4c s PHE 112 N -3.03 0.84 -0.12 1.78 -0.71 -0.76 -4.95 117.98 111.04 1s4c s PHE 112 Ca 0.57 -1.12 0.03 0.00 -1.04 0.00 0.00 56.93 55.37 1s4c s PHE 112 Cb -0.13 -0.03 0.01 0.00 -1.21 0.00 0.00 43.02 41.66 1s4c s PHE 112 CO 0.52 -1.05 -0.21 0.99 -1.34 0.00 0.00 175.22 174.13 1s4c s THR 113 N -3.43 1.89 -0.24 -4.49 2.01 -1.26 -0.53 115.64 109.59 1s4c s THR 113 Ca 0.29 -0.90 -0.13 0.00 0.31 0.00 0.00 61.69 61.26 1s4c s THR 113 Cb 0.00 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 1s4c s THR 113 CO 0.16 0.52 0.26 0.68 -0.69 0.00 0.00 174.62 175.55 1s4c s VAL 114 N 0.68 5.28 -0.40 3.82 -7.23 0.74 -4.91 120.40 118.39 1s4c s VAL 114 Ca -0.11 0.37 -0.22 0.00 -1.81 0.00 0.00 61.98 60.21 1s4c s VAL 114 Cb -0.16 -3.59 0.01 0.00 0.56 0.00 0.00 36.38 33.20 1s4c s VAL 114 CO 0.02 0.28 0.74 -0.89 -0.31 0.00 0.00 175.10 174.94 1s4c s THR 115 N 1.36 4.75 -0.15 5.32 2.01 -1.26 -1.06 115.64 126.61 1s4c s THR 115 Ca 0.12 0.58 -0.16 0.00 0.31 0.00 0.00 61.69 62.54 1s4c s THR 115 Cb -0.14 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 1s4c s THR 115 CO 0.07 -0.52 0.38 -0.04 -0.69 0.00 0.00 174.62 173.82 1s4c s MET 116 N 3.06 4.29 0.28 4.92 -1.94 0.39 -4.95 119.30 125.35 1s4c s MET 116 Ca 0.28 0.25 0.09 0.00 -1.71 0.00 0.00 55.69 54.61 1s4c s MET 116 Cb -0.13 -3.44 -0.04 0.00 2.01 0.00 0.00 34.83 33.23 1s4c s MET 116 CO 0.19 0.18 0.02 0.15 -0.01 0.00 0.00 175.02 175.55 1s4c s LYS 117 N 0.61 2.32 0.26 2.03 -0.14 -1.26 -1.74 119.74 121.82 1s4c s LYS 117 Ca 0.21 -1.43 -0.30 0.00 -1.36 0.00 0.00 55.97 53.08 1s4c s LYS 117 Cb -0.14 -2.17 -0.13 0.00 -1.68 0.00 0.00 37.83 33.71 1s4c s LYS 117 CO 0.07 0.33 1.39 -2.30 -0.76 0.00 0.00 175.35 174.07 1s4c n PRO 118 N -0.94 2.08 -0.14 -1.68 -0.02 -1.25 -0.30 135.00 132.75 1s4c n PRO 118 Ca -0.06 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1s4c n PRO 118 Cb 0.59 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 1.71 0.00 -1.87 -0.52 4.76 0.15 -4.98 118.16 117.40 1s4c n LYS 119 Ca 0.10 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.14 1s4c n LYS 119 Cb 0.33 -1.84 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 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 -0.01 3.99 0.09 1.97 -1.94 0.59 -1.33 119.30 122.66 1s4c s MET 120 Ca 0.00 2.43 0.08 0.00 -1.71 0.00 0.00 55.69 56.49 1s4c s MET 120 Cb 0.00 -2.85 -0.03 0.00 2.01 0.00 0.00 34.83 33.95 1s4c s MET 120 CO 0.00 -0.58 -0.21 -0.59 -0.01 0.00 0.00 175.02 173.63 1s4c s PHE 121 N -1.17 1.83 -0.01 -0.03 -0.12 -0.72 -2.44 117.98 115.33 1s4c s PHE 121 Ca 0.55 -0.41 0.02 0.00 -0.05 0.00 0.00 56.93 57.04 1s4c s PHE 121 Cb -0.44 -1.02 -0.00 0.00 -0.63 0.00 0.00 43.02 40.93 1s4c s PHE 121 CO 0.58 0.19 -0.05 0.00 -0.05 0.00 0.00 175.22 175.89 1s4c s ALA 122 N -1.07 0.44 -0.21 1.99 0.00 0.24 -1.07 121.76 122.08 1s4c s ALA 122 Ca 0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.79 1s4c s ALA 122 Cb -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 1s4c s ALA 122 CO 0.04 0.09 -0.02 0.08 0.00 0.00 0.00 175.76 175.95 1s4c s VAL 123 N -0.02 3.72 -0.20 0.00 1.01 -0.38 0.05 120.40 124.58 1s4c s VAL 123 Ca 0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 1s4c s VAL 123 Cb -0.03 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1s4c s VAL 123 CO -0.00 0.42 -0.11 -0.36 0.00 0.00 0.00 175.10 175.05 1s4c s PHE 124 N 1.18 2.88 0.66 5.22 0.08 0.20 -2.53 117.98 125.67 1s4c s PHE 124 Ca 0.03 -1.26 -0.10 0.00 0.12 0.00 0.00 56.93 55.72 1s4c s PHE 124 Cb -0.15 -2.02 0.00 0.00 -0.57 0.00 0.00 43.02 40.29 1s4c s PHE 124 CO 0.00 -0.66 1.04 0.71 -0.10 0.00 0.00 175.22 176.21 1s4c s TYR 125 N 1.38 3.38 0.20 0.36 2.02 -1.26 -1.00 117.35 122.44 1s4c s TYR 125 Ca 0.05 1.02 -0.30 0.00 -0.37 0.00 0.00 57.07 57.48 1s4c s TYR 125 Cb -0.14 -2.92 -0.16 0.00 -0.40 0.00 0.00 41.96 38.34 1s4c s TYR 125 CO -0.08 -1.00 0.76 -2.30 -1.57 0.00 0.00 175.55 171.36 1s4c n PRO 126 N -2.86 0.45 -0.98 -1.71 -0.02 -1.26 -1.97 135.00 126.65 1s4c n PRO 126 Ca 0.06 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1s4c n PRO 126 Cb 0.57 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 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 0.34 0.00 -3.56 6.00 4.01 0.14 -4.92 117.16 119.17 1s4c n TYR 127 Ca 0.16 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.51 1s4c n TYR 127 Cb 0.25 -0.36 -0.11 0.00 -0.31 0.00 0.00 39.34 38.82 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 -0.34 3.76 0.18 -0.72 2.02 -0.83 -4.44 118.70 118.33 1s4c s GLU 128 Ca 0.00 -0.45 -0.30 0.00 0.02 0.00 0.00 54.97 54.24 1s4c s GLU 128 Cb 0.00 -3.72 -0.08 0.00 0.10 0.00 0.00 34.13 30.43 1s4c s GLU 128 CO 0.00 -0.29 1.04 -2.14 0.02 0.00 0.00 175.26 173.89 1s4c s PRO 129 N 1.75 4.66 -0.05 0.39 0.02 -1.26 -4.60 135.00 135.91 1s4c s PRO 129 Ca 0.07 1.63 -0.15 0.00 0.02 0.00 0.00 61.00 62.57 1s4c s PRO 129 Cb -0.17 -3.29 0.03 0.00 0.02 0.00 0.00 34.50 31.09 1s4c s PRO 129 CO 0.11 0.19 0.35 -3.38 -0.33 0.00 0.00 177.00 173.94 1s4c s HIS 130 N -0.43 -0.27 -0.38 6.54 -3.43 -0.51 -1.66 115.29 115.14 1s4c s HIS 130 Ca 0.47 0.53 0.01 0.00 -0.80 0.00 0.00 55.06 55.27 1s4c s HIS 130 Cb -0.28 0.13 0.12 0.00 -1.43 0.00 0.00 32.58 31.12 1s4c s HIS 130 CO 0.34 -0.34 0.19 0.21 -2.00 0.00 0.00 174.74 173.13 1s4c s LYS 131 N -0.86 0.95 0.36 -0.38 2.20 -0.34 -1.21 119.74 120.46 1s4c s LYS 131 Ca -0.09 -1.56 -0.06 0.00 -0.36 0.00 0.00 55.97 53.90 1s4c s LYS 131 Cb -0.04 -2.01 0.08 0.00 -1.51 0.00 0.00 37.83 34.35 1s4c s LYS 131 CO 0.03 -1.11 0.49 -0.35 -0.36 0.00 0.00 175.35 174.05 1s4c n PRO 132 N 4.07 -0.40 -2.35 4.03 -0.04 -1.26 -1.87 135.00 137.19 1s4c n PRO 132 Ca 0.06 -0.80 -0.20 0.00 -0.04 0.00 0.00 63.50 62.51 1s4c n PRO 132 Cb 0.37 -0.49 -0.02 0.00 -0.04 0.00 0.00 33.50 33.33 1s4c n PRO 132 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s4c n VAL 135 N 0.43 0.43 -3.40 0.00 3.14 -1.26 -2.15 118.33 115.53 1s4c n VAL 135 Ca -0.02 -0.11 -0.42 0.00 -2.96 0.00 0.00 64.34 60.83 1s4c n VAL 135 Cb 0.52 -1.67 -0.09 0.00 -1.06 0.00 0.00 33.84 31.53 1s4c n VAL 135 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1s4c s VAL 136 N 0.53 5.17 -0.97 1.55 1.01 -1.25 -4.27 120.40 122.17 1s4c s VAL 136 Ca 0.73 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.51 1s4c s VAL 136 Cb -0.61 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1s4c s VAL 136 CO 0.42 -0.20 0.27 0.59 0.00 0.00 0.00 175.10 176.17 1s4c n ASN 137 N 5.39 -4.20 -1.88 3.32 3.02 -1.26 -2.53 115.26 117.13 1s4c n ASN 137 Ca -0.09 -0.13 -0.17 0.00 -0.03 0.00 0.00 54.58 54.16 1s4c n ASN 137 Cb 0.49 -3.16 -0.05 0.00 -0.61 0.00 0.00 39.78 36.44 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 -1.16 0.77 3.18 7.41 0.00 -1.26 -4.96 105.19 109.17 1s4c n GLY 138 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.11 2.85 -0.10 1.61 3.01 -1.05 -5.08 119.74 116.87 1s4c s LYS 139 Ca 0.00 -0.96 -0.29 0.00 -1.01 0.00 0.00 55.97 53.71 1s4c s LYS 139 Cb 0.00 -2.91 -0.05 0.00 -1.01 0.00 0.00 37.83 33.86 1s4c s LYS 139 CO 0.00 -0.37 1.61 -0.08 0.51 0.00 0.00 175.35 177.02 1s4c s THR 140 N 1.31 3.67 0.02 2.17 -1.32 -1.26 -3.93 115.64 116.31 1s4c s THR 140 Ca 0.01 0.80 0.08 0.00 -1.21 0.00 0.00 61.69 61.37 1s4c s THR 140 Cb -0.16 -3.55 -0.02 0.00 -1.51 0.00 0.00 72.50 67.25 1s4c s THR 140 CO -0.06 -0.11 -0.24 -0.70 -2.21 0.00 0.00 174.62 171.30 1s4c s GLU 141 N 4.13 1.71 -0.83 7.08 2.12 -1.26 -5.07 118.70 126.58 1s4c s GLU 141 Ca 0.71 -0.97 -0.24 0.00 0.36 0.00 0.00 54.97 54.84 1s4c s GLU 141 Cb -0.30 -1.79 0.06 0.00 0.26 0.00 0.00 34.13 32.36 1s4c s GLU 141 CO 0.28 0.47 1.23 0.21 -0.54 0.00 0.00 175.26 176.91 1s4c s LYS 142 N -0.99 3.34 0.43 4.30 2.20 -1.26 -4.89 119.74 122.88 1s4c s LYS 142 Ca 0.10 -0.85 0.03 0.00 -0.36 0.00 0.00 55.97 54.89 1s4c s LYS 142 Cb -0.09 -4.62 0.00 0.00 -1.51 0.00 0.00 37.83 31.61 1s4c s LYS 142 CO 0.01 -2.03 0.62 0.96 -0.36 0.00 0.00 175.35 174.55 1s4c s ILE 143 N 4.68 3.69 -0.02 5.43 -5.25 -1.26 -4.87 121.20 123.60 1s4c s ILE 143 Ca 0.35 -0.71 0.06 0.00 -0.99 0.00 0.00 60.65 59.36 1s4c s ILE 143 Cb -0.07 -3.33 -0.02 0.00 2.95 0.00 0.00 42.46 41.99 1s4c s ILE 143 CO 0.03 -0.19 -0.21 -0.75 -1.79 0.00 0.00 174.94 172.03 1s4c s LYS 144 N -4.47 1.71 0.28 0.37 2.20 -0.21 -3.62 119.74 116.01 1s4c s LYS 144 Ca 0.50 -0.74 -0.21 0.00 -0.36 0.00 0.00 55.97 55.16 1s4c s LYS 144 Cb -0.10 -1.64 0.03 0.00 -1.51 0.00 0.00 37.83 34.61 1s4c s LYS 144 CO 0.36 0.44 0.76 -1.59 -0.36 0.00 0.00 175.35 174.95 1s4c s LYS 145 N -0.45 1.80 0.08 4.03 -2.85 -1.01 0.03 119.74 121.37 1s4c s LYS 145 Ca 0.07 -1.03 -0.08 0.00 -1.00 0.00 0.00 55.97 53.93 1s4c s LYS 145 Cb -0.08 0.59 -0.00 0.00 -2.06 0.00 0.00 37.83 36.27 1s4c s LYS 145 CO -0.01 -0.83 0.17 -1.17 0.10 0.00 0.00 175.35 173.62 1s4c s LEU 146 N -2.96 1.50 -0.12 2.77 0.20 -0.25 -2.07 118.68 117.76 1s4c s LEU 146 Ca 0.12 -0.67 -0.04 0.00 0.69 0.00 0.00 54.13 54.24 1s4c s LEU 146 Cb -0.05 0.97 0.06 0.00 -0.43 0.00 0.00 46.19 46.73 1s4c s LEU 146 CO 0.07 -0.71 0.15 -0.69 -0.29 0.00 0.00 176.35 174.88 1s4c s VAL 147 N -3.81 -0.22 0.01 1.68 1.01 -0.48 -1.04 120.40 117.55 1s4c s VAL 147 Ca 0.05 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.01 1s4c s VAL 147 Cb 0.05 -0.41 -0.06 0.00 0.00 0.00 0.00 36.38 35.96 1s4c s VAL 147 CO -0.11 -0.01 0.50 -0.69 0.00 0.00 0.00 175.10 174.79 1s4c s VAL 148 N 2.26 4.94 -0.28 2.92 1.01 0.11 -1.25 120.40 130.11 1s4c s VAL 148 Ca 0.04 1.03 -0.06 0.00 0.00 0.00 0.00 61.98 63.00 1s4c s VAL 148 Cb -0.14 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1s4c s VAL 148 CO -0.07 0.51 0.05 -0.54 0.00 0.00 0.00 175.10 175.05 1s4c s LYS 149 N -0.70 3.03 -0.11 2.72 -0.14 0.19 -0.77 119.74 123.95 1s4c s LYS 149 Ca 0.27 -0.88 0.02 0.00 -1.36 0.00 0.00 55.97 54.01 1s4c s LYS 149 Cb -0.18 -3.29 0.01 0.00 -1.68 0.00 0.00 37.83 32.70 1s4c s LYS 149 CO 0.15 -0.43 -0.17 0.14 -0.76 0.00 0.00 175.35 174.28 1s4c s VAL 150 N 1.46 1.61 -0.07 3.17 -7.23 -0.60 -3.20 120.40 115.53 1s4c s VAL 150 Ca 0.02 -0.71 -0.35 0.00 -1.81 0.00 0.00 61.98 59.13 1s4c s VAL 150 Cb -0.17 -1.46 -0.13 0.00 0.56 0.00 0.00 36.38 35.19 1s4c s VAL 150 CO 0.01 0.46 1.80 -2.65 -0.31 0.00 0.00 175.10 174.41 1s4c n PRO 151 N 4.13 1.99 -0.00 4.82 -0.02 -1.26 0.83 135.00 145.49 1s4c n PRO 151 Ca -0.19 0.73 0.19 0.00 -2.02 0.00 0.00 63.50 62.20 1s4c n PRO 151 Cb 0.51 -2.53 0.67 0.00 -0.02 0.00 0.00 33.50 32.13 1s4c n PRO 151 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1s4c h VAL 152 N 5.09 0.76 -0.94 -1.45 3.04 -1.41 0.29 116.25 121.63 1s4c h VAL 152 Ca -0.48 -0.02 0.26 0.00 -1.01 0.00 0.00 66.70 65.46 1s4c h VAL 152 Cb 1.28 0.71 -0.05 0.00 -2.01 0.00 0.00 31.29 31.22 1s4c h VAL 152 CO 0.94 0.01 0.66 0.50 -1.01 0.00 0.00 177.57 178.66 1s4c h LYS 153 N 0.05 0.10 0.00 4.17 3.64 -1.88 0.26 116.57 122.90 1s4c h LYS 153 Ca 0.25 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1s4c h LYS 153 Cb 0.93 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1s4c h LYS 153 CO -0.01 0.06 0.00 1.28 -2.27 0.00 0.00 179.45 178.51 1s4c n LEU 154 N -4.33 0.00 -0.45 5.20 4.77 0.09 -5.24 117.00 117.04 1s4c n LEU 154 Ca 0.20 0.39 0.14 0.00 -0.03 0.00 0.00 56.01 56.71 1s4c n LEU 154 Cb 0.94 -0.39 0.55 0.00 -2.33 0.00 0.00 43.42 42.19 1s4c n LEU 154 CO 0.37 -0.09 0.88 -0.38 -1.33 0.00 0.00 177.39 176.84