#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4u s VAL 4 N 0.00 0.80 -0.14 -0.18 1.01 -1.26 -4.81 120.40 115.82 1s4u s VAL 4 Ca 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 1s4u s VAL 4 Cb 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1s4u s VAL 4 CO 0.00 0.30 0.04 -0.36 0.00 0.00 0.00 175.10 175.08 1s4u s PHE 5 N 1.24 3.23 0.12 5.22 0.40 -1.26 -4.97 117.98 121.95 1s4u s PHE 5 Ca -0.05 0.10 0.09 0.00 -0.60 0.00 0.00 56.93 56.47 1s4u s PHE 5 Cb -0.14 -1.96 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 1s4u s PHE 5 CO -0.02 0.28 -0.22 0.96 0.70 0.00 0.00 175.22 176.92 1s4u s ILE 6 N -0.15 1.84 0.07 0.64 -4.36 -1.26 -4.88 121.20 113.11 1s4u s ILE 6 Ca 0.06 -1.64 -0.31 0.00 -0.26 0.00 0.00 60.65 58.51 1s4u s ILE 6 Cb -0.12 -1.68 -0.07 0.00 1.25 0.00 0.00 42.46 41.83 1s4u s ILE 6 CO 0.02 -0.06 1.41 0.00 0.24 0.00 0.00 174.94 176.54 1s4u s ALA 7 N -1.26 3.59 -0.19 2.27 0.00 -1.26 0.65 121.76 125.56 1s4u s ALA 7 Ca 0.09 1.03 -0.01 0.00 0.00 0.00 0.00 51.96 53.07 1s4u s ALA 7 Cb -0.09 -3.57 -0.11 0.00 0.00 0.00 0.00 23.12 19.35 1s4u s ALA 7 CO 0.05 -0.76 -0.18 0.25 0.00 0.00 0.00 175.76 175.12 1s4u n THR 8 N 4.27 1.05 -3.51 0.00 -2.24 -0.97 -4.87 114.28 108.01 1s4u n THR 8 Ca 0.12 -0.37 -0.16 0.00 -2.27 0.00 0.00 64.05 61.37 1s4u n THR 8 Cb 0.43 -1.29 -0.05 0.00 -2.10 0.00 0.00 70.33 67.32 1s4u n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s4u s ALA 9 N -2.36 -1.64 0.15 6.98 0.00 -1.21 -4.89 121.76 118.79 1s4u s ALA 9 Ca -0.25 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 52.53 1s4u s ALA 9 Cb 0.07 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.50 1s4u s ALA 9 CO 0.40 -0.48 0.45 0.54 0.00 0.00 0.00 175.76 176.67 1s4u s ASN 10 N -1.68 -0.27 -0.12 0.00 2.20 -1.26 -0.79 114.94 113.02 1s4u s ASN 10 Ca -0.07 -0.34 -0.01 0.00 -0.94 0.00 0.00 52.86 51.50 1s4u s ASN 10 Cb -0.00 0.52 0.03 0.00 -2.00 0.00 0.00 41.25 39.79 1s4u s ASN 10 CO 0.03 -0.92 -0.06 0.00 -2.94 0.00 0.00 177.10 173.21 1s4u s ALA 11 N -3.82 1.23 0.42 3.54 0.00 -0.43 -4.69 121.76 118.01 1s4u s ALA 11 Ca 0.05 -0.52 -0.08 0.00 0.00 0.00 0.00 51.96 51.41 1s4u s ALA 11 Cb 0.01 -0.92 -0.05 0.00 0.00 0.00 0.00 23.12 22.16 1s4u s ALA 11 CO -0.09 -0.49 0.75 0.20 0.00 0.00 0.00 175.76 176.13 1s4u s GLY 12 N 1.75 1.75 -1.57 0.00 0.00 -1.26 -1.71 107.32 106.28 1s4u s GLY 12 Ca 0.04 -0.36 -0.06 0.00 0.00 0.00 0.00 44.72 44.34 1s4u s GLY 12 CO -0.08 -0.19 0.35 0.28 0.00 0.00 0.00 173.10 173.46 1s4u n LYS 13 N -1.66 -2.10 0.16 2.90 5.02 -0.68 -4.83 118.16 116.98 1s4u n LYS 13 Ca 0.01 0.25 0.01 0.00 -2.02 0.00 0.00 58.31 56.57 1s4u n LYS 13 Cb 0.54 -4.31 0.27 0.00 -0.02 0.00 0.00 35.03 31.52 1s4u n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s4u h ALA 14 N 0.84 1.14 -2.21 7.82 0.00 -1.32 -3.44 119.26 122.08 1s4u h ALA 14 Ca -0.63 -0.44 -0.36 0.00 0.00 0.00 0.00 54.91 53.48 1s4u h ALA 14 Cb 1.39 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.96 1s4u h ALA 14 CO 0.72 0.61 -0.67 -1.01 0.00 0.00 0.00 179.25 178.90 1s4u s HIS 15 N -3.84 1.48 -2.15 0.00 3.76 -1.26 -5.05 115.29 108.23 1s4u s HIS 15 Ca -0.02 -0.90 0.30 0.00 -0.15 0.00 0.00 55.06 54.29 1s4u s HIS 15 Cb 0.13 -0.84 1.42 0.00 1.11 0.00 0.00 32.58 34.40 1s4u s HIS 15 CO 0.73 -0.03 1.95 -0.25 -0.85 0.00 0.00 174.74 176.30 1s4u n ASP 16 N -0.37 0.73 -0.95 1.40 8.00 -1.26 -4.89 116.55 119.21 1s4u n ASP 16 Ca -0.06 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1s4u n ASP 16 Cb 0.63 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1s4u n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s4u n ALA 17 N -0.49 0.00 -1.79 2.24 0.00 -1.26 -4.89 120.51 114.32 1s4u n ALA 17 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.23 1s4u n ALA 17 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.68 1s4u n ALA 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s4u s ASP 18 N -0.88 6.54 -0.61 0.00 -0.00 -1.26 -4.67 116.67 115.78 1s4u s ASP 18 Ca 0.00 2.87 -0.16 0.00 -0.00 0.00 0.00 52.55 55.26 1s4u s ASP 18 Cb 0.00 -2.65 0.15 0.00 -0.00 0.00 0.00 42.92 40.41 1s4u s ASP 18 CO 0.00 -0.73 0.58 -0.63 -0.00 0.00 0.00 175.17 174.39 1s4u s ILE 19 N -0.91 5.26 -0.21 0.77 1.01 -1.26 -0.84 121.20 125.03 1s4u s ILE 19 Ca 0.53 -1.68 0.17 0.00 0.00 0.00 0.00 60.65 59.67 1s4u s ILE 19 Cb -0.44 -4.39 0.07 0.00 0.01 0.00 0.00 42.46 37.72 1s4u s ILE 19 CO 0.56 -0.93 1.33 -0.26 0.00 0.00 0.00 174.94 175.63 1s4u h PHE 20 N 8.66 0.00 -2.54 3.97 -1.00 -1.70 -3.42 116.94 120.91 1s4u h PHE 20 Ca -0.20 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.49 1s4u h PHE 20 Cb 1.08 0.00 -0.20 0.00 3.61 0.00 0.00 35.95 40.44 1s4u h PHE 20 CO 0.81 0.39 -0.07 0.45 -1.61 0.00 0.00 178.31 178.28 1s4u s SER 21 N -6.20 -0.43 -0.02 2.17 0.15 -1.24 -4.48 113.70 103.64 1s4u s SER 21 Ca 0.03 0.49 -0.05 0.00 0.70 0.00 0.00 55.95 57.13 1s4u s SER 21 Cb 0.07 0.53 0.01 0.00 -1.71 0.00 0.00 66.02 64.92 1s4u s SER 21 CO 0.75 -0.47 0.11 0.54 1.20 0.00 0.00 173.24 175.37 1s4u s VAL 22 N -1.00 0.03 0.22 4.45 0.11 -1.26 -1.99 120.40 120.96 1s4u s VAL 22 Ca -0.10 -0.28 -0.04 0.00 -2.93 0.00 0.00 61.98 58.62 1s4u s VAL 22 Cb -0.03 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.54 1s4u s VAL 22 CO 0.06 -0.16 0.24 -0.55 -3.33 0.00 0.00 175.10 171.36 1s4u s SER 23 N -0.49 0.16 0.05 3.54 0.15 0.03 -4.81 113.70 112.33 1s4u s SER 23 Ca -0.06 -1.28 -0.22 0.00 0.70 0.00 0.00 55.95 55.09 1s4u s SER 23 Cb -0.04 0.45 0.05 0.00 -1.71 0.00 0.00 66.02 64.77 1s4u s SER 23 CO 0.00 -0.94 0.50 0.00 1.20 0.00 0.00 173.24 174.01 1s4u s ALA 24 N -4.07 -1.28 0.31 5.45 0.00 -1.26 -0.09 121.76 120.82 1s4u s ALA 24 Ca 0.34 0.55 0.04 0.00 0.00 0.00 0.00 51.96 52.89 1s4u s ALA 24 Cb 0.05 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 1s4u s ALA 24 CO 0.12 -0.50 0.14 0.00 0.00 0.00 0.00 175.76 175.52 1s4u h ASN 26 N 1.35 -0.97 0.12 0.00 -0.73 -1.93 -3.02 115.58 110.39 1s4u h ASN 26 Ca -0.24 0.19 -0.14 0.00 1.87 0.00 0.00 56.30 57.98 1s4u h ASN 26 Cb 0.96 0.47 -0.01 0.00 0.27 0.00 0.00 38.32 40.01 1s4u h ASN 26 CO 0.37 -0.30 -0.50 0.28 -0.37 0.00 0.00 177.43 176.92 1s4u h SER 27 N -0.21 0.48 -4.79 1.15 0.02 -1.97 -3.43 113.55 104.79 1s4u h SER 27 Ca 0.19 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1s4u h SER 27 Cb 0.51 -0.14 -0.18 0.00 0.14 0.00 0.00 62.40 62.74 1s4u h SER 27 CO -0.54 0.90 0.30 0.72 -1.14 0.00 0.00 176.83 177.06 1s4u s PHE 28 N -4.03 -0.54 0.15 3.45 -0.12 -1.14 -1.53 117.98 114.22 1s4u s PHE 28 Ca -0.06 0.74 -0.18 0.00 -0.05 0.00 0.00 56.93 57.38 1s4u s PHE 28 Cb 0.12 0.47 -0.07 0.00 -0.63 0.00 0.00 43.02 42.90 1s4u s PHE 28 CO 0.82 -0.61 0.62 0.99 -0.05 0.00 0.00 175.22 176.99 1s4u s THR 29 N -2.00 4.70 -0.06 -4.49 2.01 -0.17 -1.32 115.64 114.31 1s4u s THR 29 Ca -0.05 1.14 0.02 0.00 0.31 0.00 0.00 61.69 63.12 1s4u s THR 29 Cb -0.00 -3.85 0.01 0.00 0.01 0.00 0.00 72.50 68.67 1s4u s THR 29 CO 0.01 0.34 -0.12 0.54 -0.69 0.00 0.00 174.62 174.70 1s4u s VAL 30 N -1.36 1.09 0.24 3.82 0.11 0.87 0.02 120.40 125.20 1s4u s VAL 30 Ca 0.37 -0.46 0.10 0.00 -2.93 0.00 0.00 61.98 59.06 1s4u s VAL 30 Cb -0.17 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.63 1s4u s VAL 30 CO 0.20 0.34 -0.07 -0.94 -3.33 0.00 0.00 175.10 171.31 1s4u s SER 31 N 0.65 4.29 0.07 3.54 1.04 -0.46 -0.79 113.70 122.04 1s4u s SER 31 Ca -0.14 -0.68 0.02 0.00 0.48 0.00 0.00 55.95 55.63 1s4u s SER 31 Cb -0.15 -0.72 -0.03 0.00 0.10 0.00 0.00 66.02 65.22 1s4u s SER 31 CO 0.03 0.04 -0.07 0.00 0.98 0.00 0.00 173.24 174.22 1s4u s SER 33 N -2.25 0.22 0.00 0.00 0.15 -0.99 -2.27 113.70 108.56 1s4u s SER 33 Ca 0.00 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1s4u s SER 33 Cb -0.03 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1s4u s SER 33 CO -0.02 -0.40 0.71 0.61 1.20 0.00 0.00 173.24 175.34 1s4u n GLY 34 N 1.17 -0.24 0.09 9.45 0.00 -0.02 -1.02 105.19 114.62 1s4u n GLY 34 Ca -0.21 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.95 1s4u n GLY 34 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s4u n ASP 35 N -1.21 0.32 0.00 1.61 5.68 -1.26 -4.19 116.55 117.50 1s4u n ASP 35 Ca 0.00 -0.59 0.00 0.00 -0.50 0.00 0.00 54.79 53.70 1s4u n ASP 35 Cb 0.04 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 1s4u n ASP 35 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s4u n GLY 36 N 1.22 0.79 3.81 6.12 0.00 -0.19 -4.86 105.19 112.09 1s4u n GLY 36 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1s4u n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s4u s TYR 37 N -2.63 3.38 0.26 1.61 1.51 -1.25 -0.81 117.35 119.42 1s4u s TYR 37 Ca 0.00 0.29 -0.13 0.00 -1.01 0.00 0.00 57.07 56.22 1s4u s TYR 37 Cb 0.00 -1.80 -0.08 0.00 -0.11 0.00 0.00 41.96 39.97 1s4u s TYR 37 CO 0.00 0.60 0.63 -0.51 -1.11 0.00 0.00 175.55 175.16 1s4u s LEU 38 N -1.58 4.16 -0.05 -1.29 1.43 -0.55 -2.34 118.68 118.46 1s4u s LEU 38 Ca 0.22 1.11 0.01 0.00 -1.03 0.00 0.00 54.13 54.44 1s4u s LEU 38 Cb -0.12 -3.79 0.02 0.00 0.03 0.00 0.00 46.19 42.34 1s4u s LEU 38 CO 0.12 -0.10 -0.05 -0.75 0.23 0.00 0.00 176.35 175.81 1s4u s LYS 39 N -2.72 0.89 -0.14 1.70 2.47 -0.31 -1.19 119.74 120.43 1s4u s LYS 39 Ca 0.49 -0.10 -0.05 0.00 -1.56 0.00 0.00 55.97 54.74 1s4u s LYS 39 Cb -0.12 -0.93 -0.04 0.00 -1.46 0.00 0.00 37.83 35.29 1s4u s LYS 39 CO 0.19 -0.11 0.03 0.08 0.16 0.00 0.00 175.35 175.71 1s4u s VAL 40 N 1.07 4.56 -0.22 4.02 1.01 0.40 -1.36 120.40 129.89 1s4u s VAL 40 Ca -0.08 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1s4u s VAL 40 Cb -0.14 -3.00 0.05 0.00 0.00 0.00 0.00 36.38 33.29 1s4u s VAL 40 CO -0.01 0.52 -0.08 0.26 0.00 0.00 0.00 175.10 175.79 1s4u s TRP 41 N -0.12 2.46 -0.07 5.22 0.52 0.10 -1.32 118.94 125.74 1s4u s TRP 41 Ca 0.06 -1.71 -0.36 0.00 0.02 0.00 0.00 56.10 54.11 1s4u s TRP 41 Cb -0.12 -1.63 -0.14 0.00 -1.15 0.00 0.00 33.47 30.43 1s4u s TRP 41 CO 0.02 -0.76 1.71 -3.47 0.02 0.00 0.00 176.95 174.46 1s4u n ASP 42 N 4.66 2.85 0.20 2.95 -0.08 -0.91 -1.00 116.55 125.22 1s4u n ASP 42 Ca -0.13 1.04 0.09 0.00 -1.51 0.00 0.00 54.79 54.27 1s4u n ASP 42 Cb 0.45 -1.30 0.24 0.00 2.34 0.00 0.00 41.12 42.86 1s4u n ASP 42 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1s4u h ASN 43 N 7.38 0.00 -0.08 1.67 2.35 -1.55 -3.32 115.58 122.04 1s4u h ASN 43 Ca -0.47 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.23 1s4u h ASN 43 Cb 1.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.64 1s4u h ASN 43 CO 0.92 0.23 0.07 1.17 -1.65 0.00 0.00 177.43 178.16 1s4u n LYS 44 N -3.21 1.13 -1.47 0.81 4.81 -1.26 -3.35 118.16 115.61 1s4u n LYS 44 Ca 0.02 -0.25 -0.34 0.00 -0.87 0.00 0.00 58.31 56.87 1s4u n LYS 44 Cb 0.55 -1.10 0.09 0.00 0.02 0.00 0.00 35.03 34.59 1s4u n LYS 44 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1s4u s LEU 45 N -0.29 3.32 0.00 3.14 2.96 -1.25 -4.96 118.68 121.61 1s4u s LEU 45 Ca 0.05 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.26 1s4u s LEU 45 Cb 0.04 -4.58 0.00 0.00 0.50 0.00 0.00 46.19 42.15 1s4u s LEU 45 CO -0.00 -2.18 0.00 0.18 -1.32 0.00 0.00 176.35 173.03 1s4u n LEU 46 N -2.68 0.00 -4.56 -0.68 4.32 -1.26 -4.59 117.00 107.54 1s4u n LEU 46 Ca 0.13 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.90 1s4u n LEU 46 Cb 0.50 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.25 1s4u n LEU 46 CO 0.48 -0.22 1.34 -0.62 -1.22 0.00 0.00 177.39 177.14 1s4u s ASP 47 N -1.00 4.61 -1.11 -1.43 2.15 -1.26 -3.93 116.67 114.70 1s4u s ASP 47 Ca 0.00 -0.24 -0.23 0.00 0.43 0.00 0.00 52.55 52.51 1s4u s ASP 47 Cb 0.00 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 40.09 1s4u s ASP 47 CO 0.00 -3.19 0.71 -3.20 -0.17 0.00 0.00 175.17 169.31 1s4u n ASN 48 N 15.91 -4.78 -4.91 -0.34 5.15 -1.26 -4.99 115.26 120.04 1s4u n ASN 48 Ca 0.42 -1.11 -0.32 0.00 -0.60 0.00 0.00 54.58 52.97 1s4u n ASN 48 Cb 0.46 -2.33 -0.04 0.00 -0.53 0.00 0.00 39.78 37.34 1s4u n ASN 48 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1s4u s GLU 49 N -6.39 3.50 -0.17 1.20 2.56 -1.25 -5.05 118.70 113.09 1s4u s GLU 49 Ca 0.39 -0.31 -0.31 0.00 0.00 0.00 0.00 54.97 54.74 1s4u s GLU 49 Cb -0.18 -3.00 -0.08 0.00 2.00 0.00 0.00 34.13 32.87 1s4u s GLU 49 CO 0.92 0.58 2.11 -1.71 -0.56 0.00 0.00 175.26 176.60 1s4u n ASN 50 N 0.36 3.29 -0.25 -1.70 2.85 -1.26 -4.81 115.26 113.75 1s4u n ASN 50 Ca -0.05 0.50 0.22 0.00 -0.11 0.00 0.00 54.58 55.14 1s4u n ASN 50 Cb 0.51 -1.47 0.57 0.00 1.24 0.00 0.00 39.78 40.63 1s4u n ASN 50 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1s4u h PRO 51 N 12.78 0.29 -0.12 1.20 0.11 -1.95 -2.03 132.00 142.29 1s4u h PRO 51 Ca -0.42 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 1s4u h PRO 51 Cb 1.26 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1s4u h PRO 51 CO 0.96 0.19 -0.19 0.87 -0.21 0.00 0.00 178.00 179.63 1s4u h LYS 52 N 0.30 0.20 0.00 1.05 1.57 -1.91 -2.08 116.57 115.70 1s4u h LYS 52 Ca 0.49 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 59.17 1s4u h LYS 52 Cb 1.39 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 1s4u h LYS 52 CO -0.16 0.39 -0.23 -0.44 -0.57 0.00 0.00 179.45 178.45 1s4u h ASP 53 N 0.19 0.00 -1.77 0.86 3.32 -1.76 -2.96 116.42 114.30 1s4u h ASP 53 Ca 0.04 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.41 1s4u h ASP 53 Cb 0.45 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.65 1s4u h ASP 53 CO 0.03 0.23 0.09 0.29 -1.72 0.00 0.00 179.24 178.16 1s4u n LYS 54 N -3.71 3.19 -4.32 3.56 4.76 -0.79 -5.01 118.16 115.84 1s4u n LYS 54 Ca -0.01 -4.10 -0.19 0.00 -2.87 0.00 0.00 58.31 51.13 1s4u n LYS 54 Cb 0.34 -2.26 -0.13 0.00 -1.84 0.00 0.00 35.03 31.14 1s4u n LYS 54 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1s4u s SER 55 N -2.42 1.61 -0.07 4.39 1.04 -1.12 -2.14 113.70 114.99 1s4u s SER 55 Ca 0.49 -0.47 -0.02 0.00 0.48 0.00 0.00 55.95 56.44 1s4u s SER 55 Cb 0.41 -0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.46 1s4u s SER 55 CO -0.29 0.01 0.03 -0.31 0.98 0.00 0.00 173.24 173.67 1s4u s TYR 56 N -0.90 0.42 0.16 5.02 2.02 -0.44 -4.97 117.35 118.66 1s4u s TYR 56 Ca 0.01 -0.03 0.04 0.00 -0.37 0.00 0.00 57.07 56.72 1s4u s TYR 56 Cb -0.08 -0.68 -0.04 0.00 -0.40 0.00 0.00 41.96 40.77 1s4u s TYR 56 CO 0.01 -0.29 0.20 -1.54 -1.57 0.00 0.00 175.55 172.37 1s4u s SER 57 N 2.05 5.90 -0.19 2.29 1.04 -1.26 -0.45 113.70 123.08 1s4u s SER 57 Ca 0.05 0.01 -0.05 0.00 0.48 0.00 0.00 55.95 56.43 1s4u s SER 57 Cb -0.12 -1.66 0.09 0.00 0.10 0.00 0.00 66.02 64.43 1s4u s SER 57 CO -0.05 0.06 0.36 -2.28 0.98 0.00 0.00 173.24 172.31 1s4u s HIS 58 N -1.75 -0.69 0.34 5.02 2.46 -0.34 -4.99 115.29 115.34 1s4u s HIS 58 Ca 0.33 1.17 -0.28 0.00 0.47 0.00 0.00 55.06 56.75 1s4u s HIS 58 Cb -0.10 0.13 -0.10 0.00 -0.13 0.00 0.00 32.58 32.37 1s4u s HIS 58 CO 0.26 -0.51 1.24 0.12 -2.47 0.00 0.00 174.74 173.38 1s4u s PHE 59 N 2.54 3.14 0.08 3.88 5.36 -1.26 -1.48 117.98 130.24 1s4u s PHE 59 Ca 0.03 1.50 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 1s4u s PHE 59 Cb -0.13 -3.55 0.00 0.00 -0.34 0.00 0.00 43.02 39.01 1s4u s PHE 59 CO -0.12 -1.51 0.00 0.28 -1.46 0.00 0.00 175.22 172.41 1s4u n VAL 60 N 0.68 0.51 -3.64 3.12 0.31 0.01 -4.92 118.33 114.40 1s4u n VAL 60 Ca 0.01 0.17 -0.09 0.00 -0.01 0.00 0.00 64.34 64.42 1s4u n VAL 60 Cb 0.43 -1.30 -0.07 0.00 -0.91 0.00 0.00 33.84 31.99 1s4u n VAL 60 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1s4u s HIS 61 N -2.00 -0.96 -0.90 3.52 5.65 -1.15 -5.05 115.29 114.40 1s4u s HIS 61 Ca 0.00 2.02 0.18 0.00 0.25 0.00 0.00 55.06 57.52 1s4u s HIS 61 Cb 0.00 0.52 0.77 0.00 -1.18 0.00 0.00 32.58 32.68 1s4u s HIS 61 CO 0.00 -0.48 1.58 0.36 -0.65 0.00 0.00 174.74 175.55 1s4u n LYS 62 N 3.86 0.04 0.17 2.88 -0.00 -1.26 -1.78 118.16 122.07 1s4u n LYS 62 Ca -0.18 0.25 0.13 0.00 -0.00 0.00 0.00 58.31 58.51 1s4u n LYS 62 Cb 0.58 -1.58 0.51 0.00 -0.00 0.00 0.00 35.03 34.53 1s4u n LYS 62 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1s4u h SER 63 N 0.00 0.00 -4.76 -5.58 4.64 -1.94 -3.45 113.55 102.45 1s4u h SER 63 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s4u h SER 63 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1s4u h SER 63 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1s4u n GLY 64 N 0.30 1.03 3.38 -0.77 0.00 -0.74 -4.19 105.19 104.19 1s4u n GLY 64 Ca 0.02 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 1s4u n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s4u s LEU 65 N -0.89 2.57 -0.00 0.99 1.02 -0.52 -1.21 118.68 120.63 1s4u s LEU 65 Ca 0.00 -0.33 0.04 0.00 0.02 0.00 0.00 54.13 53.86 1s4u s LEU 65 Cb 0.00 -1.54 -0.06 0.00 0.02 0.00 0.00 46.19 44.61 1s4u s LEU 65 CO 0.00 0.24 0.10 0.00 0.02 0.00 0.00 176.35 176.71 1s4u n HIS 66 N 3.03 0.00 -4.09 0.29 1.44 -0.55 -3.53 115.22 111.80 1s4u n HIS 66 Ca -0.18 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.39 1s4u n HIS 66 Cb 0.52 -0.08 -0.12 0.00 0.12 0.00 0.00 29.99 30.43 1s4u n HIS 66 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1s4u s HIS 67 N -2.15 0.68 -0.17 -1.40 3.76 -1.22 -4.20 115.29 110.59 1s4u s HIS 67 Ca -0.01 -0.43 -0.14 0.00 -0.15 0.00 0.00 55.06 54.33 1s4u s HIS 67 Cb 0.03 -0.41 0.05 0.00 1.11 0.00 0.00 32.58 33.35 1s4u s HIS 67 CO 0.17 -0.06 0.44 0.54 -0.85 0.00 0.00 174.74 174.97 1s4u s VAL 68 N -1.16 -0.00 -0.01 -0.90 0.11 -1.26 -1.94 120.40 115.24 1s4u s VAL 68 Ca -0.07 0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 58.96 1s4u s VAL 68 Cb -0.09 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 1s4u s VAL 68 CO 0.00 0.01 0.08 -0.62 -3.33 0.00 0.00 175.10 171.24 1s4u s ASP 69 N 0.48 0.01 -0.06 3.54 2.15 -0.33 -4.37 116.67 118.09 1s4u s ASP 69 Ca -0.02 -0.08 0.05 0.00 0.43 0.00 0.00 52.55 52.93 1s4u s ASP 69 Cb -0.04 0.18 -0.02 0.00 -0.30 0.00 0.00 42.92 42.74 1s4u s ASP 69 CO -0.02 -0.20 -0.21 0.54 -0.17 0.00 0.00 175.17 175.11 1s4u s VAL 70 N -0.72 2.44 -0.17 1.11 0.11 -1.26 -1.45 120.40 120.47 1s4u s VAL 70 Ca -0.08 -0.93 -0.02 0.00 -2.93 0.00 0.00 61.98 58.01 1s4u s VAL 70 Cb -0.05 -1.92 -0.02 0.00 -1.53 0.00 0.00 36.38 32.87 1s4u s VAL 70 CO 0.00 0.57 -0.08 -0.22 -3.33 0.00 0.00 175.10 172.05 1s4u s LEU 71 N -0.33 2.90 -0.09 2.54 2.96 0.69 -4.83 118.68 122.54 1s4u s LEU 71 Ca 0.02 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.62 1s4u s LEU 71 Cb -0.13 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 44.90 1s4u s LEU 71 CO 0.02 0.10 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.55 1s4u s GLN 72 N 0.74 0.94 0.19 1.98 0.74 -1.26 -0.30 119.66 122.68 1s4u s GLN 72 Ca -0.04 -0.02 -0.09 0.00 0.05 0.00 0.00 55.36 55.26 1s4u s GLN 72 Cb -0.15 -1.19 -0.01 0.00 1.10 0.00 0.00 33.01 32.76 1s4u s GLN 72 CO 0.02 -0.29 0.31 0.00 -0.55 0.00 0.00 175.29 174.78 1s4u s ALA 73 N 1.87 0.10 -0.16 1.58 0.00 -0.41 -4.98 121.76 119.75 1s4u s ALA 73 Ca 0.05 -0.99 -0.09 0.00 0.00 0.00 0.00 51.96 50.93 1s4u s ALA 73 Cb -0.12 0.98 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 1s4u s ALA 73 CO -0.06 -0.69 0.15 0.96 0.00 0.00 0.00 175.76 176.12 1s4u s ILE 74 N -4.00 5.44 -0.71 0.00 -4.36 -1.26 -0.87 121.20 115.44 1s4u s ILE 74 Ca 0.21 0.24 -0.18 0.00 -0.26 0.00 0.00 60.65 60.66 1s4u s ILE 74 Cb 0.03 -3.45 0.13 0.00 1.25 0.00 0.00 42.46 40.42 1s4u s ILE 74 CO 0.04 0.52 0.80 -0.70 0.24 0.00 0.00 174.94 175.84 1s4u s GLU 75 N -0.32 3.27 -0.97 0.37 2.56 0.95 -4.59 118.70 119.97 1s4u s GLU 75 Ca 0.12 -1.66 -0.12 0.00 0.00 0.00 0.00 54.97 53.31 1s4u s GLU 75 Cb -0.12 -4.43 -0.00 0.00 2.00 0.00 0.00 34.13 31.58 1s4u s GLU 75 CO 0.02 -1.53 0.71 0.54 -0.56 0.00 0.00 175.26 174.44 1s4u n ARG 76 N 5.84 -1.25 -1.50 4.30 5.12 -1.26 -2.47 116.66 125.44 1s4u n ARG 76 Ca 0.02 0.73 -0.09 0.00 -1.93 0.00 0.00 57.85 56.58 1s4u n ARG 76 Cb 0.45 -3.78 -0.03 0.00 -1.16 0.00 0.00 32.46 27.93 1s4u n ARG 76 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1s4u n ASP 77 N -2.43 -2.53 0.11 0.55 8.00 -1.26 -4.54 116.55 114.45 1s4u n ASP 77 Ca -0.14 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1s4u n ASP 77 Cb 0.60 -2.44 0.00 0.00 -0.02 0.00 0.00 41.12 39.26 1s4u n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s4u n ALA 78 N -0.44 3.00 -3.13 2.24 0.00 -1.09 -5.05 120.51 116.04 1s4u n ALA 78 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.97 1s4u n ALA 78 Cb 0.35 0.09 -0.12 0.00 0.00 0.00 0.00 19.45 19.77 1s4u n ALA 78 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1s4u s PHE 79 N -2.00 3.14 -0.08 0.00 5.36 -1.03 -4.94 117.98 118.43 1s4u s PHE 79 Ca 0.00 -0.86 -0.30 0.00 -0.96 0.00 0.00 56.93 54.81 1s4u s PHE 79 Cb 0.00 -2.27 -0.04 0.00 -0.34 0.00 0.00 43.02 40.38 1s4u s PHE 79 CO 0.00 -0.54 1.35 -2.00 -1.46 0.00 0.00 175.22 172.57 1s4u s GLU 80 N 1.53 4.27 -0.22 10.12 2.56 -1.26 -0.03 118.70 135.66 1s4u s GLU 80 Ca 0.03 1.83 -0.01 0.00 0.00 0.00 0.00 54.97 56.83 1s4u s GLU 80 Cb -0.17 -3.69 0.02 0.00 2.00 0.00 0.00 34.13 32.29 1s4u s GLU 80 CO 0.03 -0.63 -0.11 -1.17 -0.56 0.00 0.00 175.26 172.82 1s4u s LEU 81 N 2.97 2.77 -0.16 2.70 2.96 -0.05 -4.95 118.68 124.91 1s4u s LEU 81 Ca 0.60 -0.72 -0.04 0.00 -0.22 0.00 0.00 54.13 53.75 1s4u s LEU 81 Cb -0.27 -1.61 0.06 0.00 0.50 0.00 0.00 46.19 44.87 1s4u s LEU 81 CO 0.22 -0.06 0.07 0.00 -1.32 0.00 0.00 176.35 175.26 1s4u s LEU 83 N 2.08 2.06 -0.10 0.00 1.43 0.59 -1.07 118.68 123.66 1s4u s LEU 83 Ca 0.02 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 1s4u s LEU 83 Cb -0.16 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 1s4u s LEU 83 CO -0.08 0.27 -0.14 -0.69 0.23 0.00 0.00 176.35 175.94 1s4u s VAL 84 N -0.35 2.98 -0.06 -1.59 1.01 -0.10 -0.22 120.40 122.08 1s4u s VAL 84 Ca 0.02 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.33 1s4u s VAL 84 Cb -0.12 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1s4u s VAL 84 CO 0.02 0.55 -0.17 0.00 0.00 0.00 0.00 175.10 175.50 1s4u s ALA 85 N 0.00 2.53 -0.07 5.51 0.00 -0.53 -1.34 121.76 127.87 1s4u s ALA 85 Ca -0.04 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 1s4u s ALA 85 Cb -0.14 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.07 1s4u s ALA 85 CO 0.04 0.48 0.22 -0.08 0.00 0.00 0.00 175.76 176.42 1s4u s THR 86 N -0.46 0.01 -0.02 0.00 -1.32 -0.82 -1.19 115.64 111.85 1s4u s THR 86 Ca 0.05 -0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 1s4u s THR 86 Cb -0.12 -0.35 -0.04 0.00 -1.51 0.00 0.00 72.50 70.49 1s4u s THR 86 CO 0.02 -0.06 0.01 0.42 -2.21 0.00 0.00 174.62 172.80 1s4u s THR 87 N -0.13 4.26 0.35 5.08 -4.23 -0.82 -1.21 115.64 118.94 1s4u s THR 87 Ca -0.02 -0.49 0.08 0.00 -1.18 0.00 0.00 61.69 60.07 1s4u s THR 87 Cb -0.02 -2.88 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 1s4u s THR 87 CO 0.01 0.43 0.27 -0.94 -0.54 0.00 0.00 174.62 173.85 1s4u s SER 88 N -1.42 5.12 0.56 3.99 1.04 -0.50 -1.48 113.70 121.02 1s4u s SER 88 Ca 0.18 -0.60 0.35 0.00 0.48 0.00 0.00 55.95 56.37 1s4u s SER 88 Cb -0.12 -0.86 1.57 0.00 0.10 0.00 0.00 66.02 66.72 1s4u s SER 88 CO 0.09 -0.39 2.05 -0.26 0.98 0.00 0.00 173.24 175.70 1s4u h PHE 89 N 1.27 0.00 0.00 5.02 0.04 -1.33 -0.70 116.94 121.24 1s4u h PHE 89 Ca -0.44 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1s4u h PHE 89 Cb 1.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.41 1s4u h PHE 89 CO 0.55 0.00 0.00 -1.13 -0.60 0.00 0.00 178.31 177.13 1s4u n SER 90 N -3.03 0.00 0.00 2.17 3.41 -1.26 -4.89 113.62 110.02 1s4u n SER 90 Ca -0.00 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1s4u n SER 90 Cb 0.25 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1s4u n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s4u n GLY 91 N 0.59 0.81 3.82 5.00 0.00 -0.27 -4.90 105.19 110.24 1s4u n GLY 91 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1s4u n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s4u s ASP 92 N -2.18 6.71 -0.24 1.61 1.11 -1.25 -1.03 116.67 121.39 1s4u s ASP 92 Ca 0.00 1.71 0.00 0.00 0.18 0.00 0.00 52.55 54.44 1s4u s ASP 92 Cb 0.00 -2.54 0.07 0.00 1.07 0.00 0.00 42.92 41.52 1s4u s ASP 92 CO 0.00 -0.52 -0.02 -0.22 1.18 0.00 0.00 175.17 175.59 1s4u s LEU 93 N -3.51 2.48 0.10 1.23 2.96 -1.26 -1.40 118.68 119.28 1s4u s LEU 93 Ca 0.62 -1.25 0.06 0.00 -0.22 0.00 0.00 54.13 53.35 1s4u s LEU 93 Cb -0.11 -1.09 -0.04 0.00 0.50 0.00 0.00 46.19 45.46 1s4u s LEU 93 CO 0.20 -0.28 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.12 1s4u s LEU 94 N 1.45 3.18 -0.00 -0.68 1.02 -0.35 -4.96 118.68 118.34 1s4u s LEU 94 Ca -0.02 -0.31 0.05 0.00 0.02 0.00 0.00 54.13 53.86 1s4u s LEU 94 Cb -0.18 -1.95 -0.01 0.00 0.02 0.00 0.00 46.19 44.06 1s4u s LEU 94 CO -0.09 0.18 -0.16 -0.36 0.02 0.00 0.00 176.35 175.94 1s4u s PHE 95 N -1.24 1.42 -0.03 0.29 0.08 -1.26 -1.94 117.98 115.30 1s4u s PHE 95 Ca 0.23 -0.28 -0.01 0.00 0.12 0.00 0.00 56.93 56.99 1s4u s PHE 95 Cb -0.11 -0.91 0.03 0.00 -0.57 0.00 0.00 43.02 41.46 1s4u s PHE 95 CO 0.15 -0.01 0.05 0.71 -0.10 0.00 0.00 175.22 176.02 1s4u s TYR 96 N -0.43 -0.00 0.13 0.36 1.51 -0.45 -1.29 117.35 117.17 1s4u s TYR 96 Ca 0.06 0.21 -0.26 0.00 -1.01 0.00 0.00 57.07 56.06 1s4u s TYR 96 Cb -0.06 -0.23 -0.07 0.00 -0.11 0.00 0.00 41.96 41.49 1s4u s TYR 96 CO -0.00 -0.11 0.82 0.50 -1.11 0.00 0.00 175.55 175.64 1s4u s ARG 97 N 1.19 4.60 -0.11 -0.62 3.52 0.13 -0.92 118.95 126.75 1s4u s ARG 97 Ca -0.08 1.21 0.03 0.00 -0.13 0.00 0.00 55.73 56.76 1s4u s ARG 97 Cb -0.13 -3.32 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 1s4u s ARG 97 CO -0.04 0.41 -0.19 0.42 -0.81 0.00 0.00 175.30 175.10 1s4u s ILE 98 N -0.61 2.50 0.25 4.11 1.01 -0.23 -0.97 121.20 127.26 1s4u s ILE 98 Ca 0.39 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 1s4u s ILE 98 Cb -0.23 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 1s4u s ILE 98 CO 0.26 0.55 0.38 0.42 0.00 0.00 0.00 174.94 176.55 1s4u s THR 99 N 0.25 0.00 -0.08 2.92 -4.23 -0.98 -4.40 115.64 109.12 1s4u s THR 99 Ca -0.13 -1.61 0.04 0.00 -1.18 0.00 0.00 61.69 58.80 1s4u s THR 99 Cb -0.16 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 1s4u s THR 99 CO 0.07 0.00 -0.20 -0.13 -0.54 0.00 0.00 174.62 173.82 1s4u s ARG 100 N -3.90 2.78 0.31 3.99 0.52 -1.26 -0.35 118.95 121.03 1s4u s ARG 100 Ca 0.29 -0.80 0.01 0.00 -0.52 0.00 0.00 55.73 54.71 1s4u s ARG 100 Cb 0.02 -2.34 0.74 0.00 0.52 0.00 0.00 34.95 33.89 1s4u s ARG 100 CO 0.12 0.38 1.56 1.17 0.02 0.00 0.00 175.30 178.55 1s4u n LYS 105 N 2.98 -0.08 -1.87 3.54 4.81 -1.26 -4.58 118.16 121.70 1s4u n LYS 105 Ca -0.18 1.49 0.00 0.00 -0.87 0.00 0.00 58.31 58.76 1s4u n LYS 105 Cb 0.52 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.21 1s4u n LYS 105 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1s4u n LYS 106 N -5.50 1.32 -0.78 1.64 3.00 -1.26 -5.07 118.16 111.51 1s4u n LYS 106 Ca 0.23 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.24 1s4u n LYS 106 Cb 0.75 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.73 1s4u n LYS 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1s4u n VAL 107 N 0.00 0.00 -4.84 3.15 0.31 -1.26 -4.96 118.33 110.73 1s4u n VAL 107 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 1s4u n VAL 107 Cb 0.00 -0.17 -0.16 0.00 -0.91 0.00 0.00 33.84 32.60 1s4u n VAL 107 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1s4u s ILE 108 N 1.01 1.47 -0.17 2.52 1.01 0.52 -4.98 121.20 122.58 1s4u s ILE 108 Ca 0.47 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 60.34 1s4u s ILE 108 Cb -0.67 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1s4u s ILE 108 CO 0.35 0.43 0.06 -0.36 0.00 0.00 0.00 174.94 175.42 1s4u s PHE 109 N 0.24 3.26 -0.25 3.97 0.40 -1.26 -2.32 117.98 122.03 1s4u s PHE 109 Ca -0.09 0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.36 1s4u s PHE 109 Cb -0.14 -2.05 0.06 0.00 0.51 0.00 0.00 43.02 41.40 1s4u s PHE 109 CO 0.04 0.20 -0.07 -2.00 0.70 0.00 0.00 175.22 174.09 1s4u s GLU 110 N 0.22 1.81 0.16 0.44 2.12 -0.14 -4.95 118.70 118.36 1s4u s GLU 110 Ca 0.04 -1.14 -0.31 0.00 0.36 0.00 0.00 54.97 53.92 1s4u s GLU 110 Cb -0.12 -2.70 -0.09 0.00 0.26 0.00 0.00 34.13 31.48 1s4u s GLU 110 CO 0.00 -0.60 1.42 0.21 -0.54 0.00 0.00 175.26 175.75 1s4u s LYS 111 N 1.28 4.30 -0.07 4.30 2.20 -1.26 -0.69 119.74 129.80 1s4u s LYS 111 Ca -0.06 2.16 -0.01 0.00 -0.36 0.00 0.00 55.97 57.70 1s4u s LYS 111 Cb -0.19 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1s4u s LYS 111 CO -0.06 -0.44 -0.01 -0.51 -0.36 0.00 0.00 175.35 173.97 1s4u s LEU 112 N 0.73 3.51 -0.56 5.43 1.43 -0.41 -4.94 118.68 123.87 1s4u s LEU 112 Ca 0.64 0.10 -0.14 0.00 -1.03 0.00 0.00 54.13 53.69 1s4u s LEU 112 Cb -0.39 -1.83 0.14 0.00 0.03 0.00 0.00 46.19 44.14 1s4u s LEU 112 CO 0.33 0.36 0.50 -0.62 0.23 0.00 0.00 176.35 177.16 1s4u s ASP 113 N -0.98 6.16 -0.03 2.29 2.15 -1.26 -4.43 116.67 120.57 1s4u s ASP 113 Ca 0.14 -1.93 0.01 0.00 0.43 0.00 0.00 52.55 51.21 1s4u s ASP 113 Cb -0.11 -2.17 -0.03 0.00 -0.30 0.00 0.00 42.92 40.31 1s4u s ASP 113 CO 0.03 -0.79 -0.01 0.18 -0.17 0.00 0.00 175.17 174.41 1s4u n LEU 114 N 5.03 1.61 -4.80 -1.34 4.77 -1.26 -4.98 117.00 116.02 1s4u n LEU 114 Ca -0.10 -0.01 -0.37 0.00 -0.03 0.00 0.00 56.01 55.51 1s4u n LEU 114 Cb 0.41 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1s4u n LEU 114 CO 0.50 0.33 0.47 -0.76 -1.33 0.00 0.00 177.39 176.60 1s4u s LEU 115 N -4.74 4.38 0.83 2.23 1.43 -1.26 -4.45 118.68 117.10 1s4u s LEU 115 Ca -0.03 1.53 -0.10 0.00 -1.03 0.00 0.00 54.13 54.50 1s4u s LEU 115 Cb 0.01 -3.61 0.14 0.00 0.03 0.00 0.00 46.19 42.76 1s4u s LEU 115 CO 0.10 0.04 1.16 1.51 0.23 0.00 0.00 176.35 179.39 1s4u s ASP 116 N -1.56 3.88 0.22 2.29 1.47 -1.26 -4.94 116.67 116.78 1s4u s ASP 116 Ca 0.43 0.15 -0.08 0.00 1.18 0.00 0.00 52.55 54.23 1s4u s ASP 116 Cb -0.18 -0.44 0.24 0.00 -0.34 0.00 0.00 42.92 42.21 1s4u s ASP 116 CO 0.22 -2.21 1.86 0.28 0.68 0.00 0.00 175.17 176.00 1s4u h SER 117 N -1.08 0.79 -0.37 2.11 0.02 -1.99 -2.69 113.55 110.35 1s4u h SER 117 Ca -0.42 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.57 1s4u h SER 117 Cb 1.27 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.60 1s4u h SER 117 CO 0.45 0.54 0.14 -0.78 -1.14 0.00 0.00 176.83 176.03 1s4u h ASP 118 N 0.94 0.16 -0.29 3.07 1.82 -2.02 -2.40 116.42 117.71 1s4u h ASP 118 Ca 0.32 0.04 -0.06 0.00 -0.39 0.00 0.00 57.03 56.94 1s4u h ASP 118 Cb 0.06 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 1s4u h ASP 118 CO -0.13 0.13 -0.02 0.24 -1.61 0.00 0.00 179.24 177.85 1s4u h MET 119 N 0.30 0.64 0.00 0.28 2.86 -1.90 -2.99 114.93 114.12 1s4u h MET 119 Ca 0.17 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1s4u h MET 119 Cb 0.14 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1s4u h MET 119 CO -0.16 0.67 0.00 1.63 1.06 0.00 0.00 176.91 180.11 1s4u n LYS 120 N -4.24 0.01 0.08 1.72 5.02 -0.91 -2.01 118.16 117.82 1s4u n LYS 120 Ca 0.02 0.19 0.13 0.00 -2.02 0.00 0.00 58.31 56.62 1s4u n LYS 120 Cb 0.28 -1.51 0.46 0.00 -0.02 0.00 0.00 35.03 34.24 1s4u n LYS 120 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1s4u n LYS 121 N -1.52 0.18 -2.12 1.97 5.02 -1.13 -4.86 118.16 115.70 1s4u n LYS 121 Ca 0.04 0.18 -0.28 0.00 -2.02 0.00 0.00 58.31 56.24 1s4u n LYS 121 Cb 0.22 -1.73 0.05 0.00 -0.02 0.00 0.00 35.03 33.55 1s4u n LYS 121 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1s4u s HIS 122 N -3.09 3.23 -0.40 2.13 3.76 -0.85 -5.05 115.29 115.01 1s4u s HIS 122 Ca 0.11 0.81 0.02 0.00 -0.15 0.00 0.00 55.06 55.85 1s4u s HIS 122 Cb 0.14 -2.97 0.11 0.00 1.11 0.00 0.00 32.58 30.96 1s4u s HIS 122 CO 0.55 -1.10 0.14 0.45 -0.85 0.00 0.00 174.74 173.94 1s4u s SER 123 N -4.37 4.82 0.36 1.40 0.15 -1.26 -4.75 113.70 110.05 1s4u s SER 123 Ca 0.57 -2.33 -0.25 0.00 0.70 0.00 0.00 55.95 54.64 1s4u s SER 123 Cb -0.11 -1.69 -0.10 0.00 -1.71 0.00 0.00 66.02 62.42 1s4u s SER 123 CO 0.48 -0.39 0.99 -0.36 1.20 0.00 0.00 173.24 175.17 1s4u s PHE 124 N 0.67 3.48 0.00 3.44 0.40 -0.20 -1.12 117.98 124.66 1s4u s PHE 124 Ca 0.12 1.71 0.00 0.00 -0.60 0.00 0.00 56.93 58.16 1s4u s PHE 124 Cb -0.21 -3.02 0.00 0.00 0.51 0.00 0.00 43.02 40.30 1s4u s PHE 124 CO -0.05 -0.19 0.00 1.87 0.70 0.00 0.00 175.22 177.55 1s4u n TRP 125 N 0.24 0.00 -2.43 0.36 -0.00 -0.23 -4.50 117.44 110.88 1s4u n TRP 125 Ca 0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 57.23 1s4u n TRP 125 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.80 1s4u n TRP 125 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1s4u s ALA 126 N -2.00 3.25 0.09 5.87 0.00 -1.26 -4.70 121.76 123.01 1s4u s ALA 126 Ca 0.00 -0.19 -0.19 0.00 0.00 0.00 0.00 51.96 51.58 1s4u s ALA 126 Cb 0.00 -2.85 0.04 0.00 0.00 0.00 0.00 23.12 20.31 1s4u s ALA 126 CO 0.00 -0.35 0.45 -0.48 0.00 0.00 0.00 175.76 175.39 1s4u s LEU 127 N -4.53 0.19 -0.28 0.00 2.34 -1.26 -1.59 118.68 113.54 1s4u s LEU 127 Ca 0.52 -0.10 -0.16 0.00 0.06 0.00 0.00 54.13 54.46 1s4u s LEU 127 Cb -0.10 1.96 0.08 0.00 -0.56 0.00 0.00 46.19 47.57 1s4u s LEU 127 CO 0.42 -0.79 0.70 -0.75 -1.06 0.00 0.00 176.35 174.86 1s4u s LYS 128 N -3.20 0.69 0.25 1.48 2.47 0.23 -4.89 119.74 116.77 1s4u s LYS 128 Ca -0.01 1.22 -0.30 0.00 -1.56 0.00 0.00 55.97 55.33 1s4u s LYS 128 Cb 0.00 0.17 -0.09 0.00 -1.46 0.00 0.00 37.83 36.46 1s4u s LYS 128 CO -0.08 -0.15 1.10 -1.58 0.16 0.00 0.00 175.35 174.80 1s4u s TRP 129 N 1.69 3.59 -0.63 4.03 0.52 -1.26 -1.01 118.94 125.87 1s4u s TRP 129 Ca -0.10 1.66 -0.06 0.00 0.02 0.00 0.00 56.10 57.62 1s4u s TRP 129 Cb -0.05 -3.28 0.16 0.00 -1.15 0.00 0.00 33.47 29.15 1s4u s TRP 129 CO -0.20 -0.57 0.48 0.20 0.02 0.00 0.00 176.95 176.89 1s4u s GLY 130 N -0.62 2.43 0.71 0.98 0.00 0.36 -4.90 107.32 106.27 1s4u s GLY 130 Ca 0.46 -3.11 -0.16 0.00 0.00 0.00 0.00 44.72 41.92 1s4u s GLY 130 CO 0.39 1.13 1.21 0.00 0.00 0.00 0.00 173.10 175.84 1s4u s ALA 131 N 0.30 2.19 0.00 3.20 0.00 -1.26 -1.23 121.76 124.97 1s4u s ALA 131 Ca 0.15 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1s4u s ALA 131 Cb -0.19 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1s4u s ALA 131 CO -0.04 -1.76 0.00 -1.13 0.00 0.00 0.00 175.76 172.82 1s4u n SER 132 N -2.52 0.00 0.10 0.00 3.41 -1.26 -4.86 113.62 108.49 1s4u n SER 132 Ca 0.14 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.70 1s4u n SER 132 Cb 0.50 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.46 1s4u n SER 132 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1s4u h LEU 137 N 0.00 0.02-10.24 1.04 5.85 -2.02 -3.51 115.31 106.45 1s4u h LEU 137 Ca 0.00 -0.02 -0.51 0.00 0.84 0.00 0.00 57.88 58.19 1s4u h LEU 137 Cb 0.00 -0.01 0.10 0.00 0.37 0.00 0.00 40.66 41.13 1s4u h LEU 137 CO 0.00 0.84 0.36 -0.44 -0.34 0.00 0.00 178.44 178.86 1s4u s SER 138 N -6.79 5.07 0.57 1.25 0.01 -1.26 -5.01 113.70 107.54 1s4u s SER 138 Ca -0.00 1.88 -0.21 0.00 1.31 0.00 0.00 55.95 58.93 1s4u s SER 138 Cb 0.11 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1s4u s SER 138 CO 0.80 -1.65 1.31 -1.00 0.41 0.00 0.00 173.24 173.11 1s4u s HIS 139 N -2.58 2.30 0.31 2.43 3.76 -1.25 -4.83 115.29 115.42 1s4u s HIS 139 Ca 0.64 1.43 0.11 0.00 -0.15 0.00 0.00 55.06 57.08 1s4u s HIS 139 Cb -0.18 -3.71 -0.05 0.00 1.11 0.00 0.00 32.58 29.74 1s4u s HIS 139 CO 0.46 -2.72 -0.12 1.03 -0.85 0.00 0.00 174.74 172.54 1s4u s ARG 140 N -3.04 1.82 0.01 1.40 0.52 -0.37 0.00 118.95 119.30 1s4u s ARG 140 Ca 0.74 -1.79 0.03 0.00 -0.52 0.00 0.00 55.73 54.19 1s4u s ARG 140 Cb -0.38 -1.80 -0.01 0.00 0.52 0.00 0.00 34.95 33.28 1s4u s ARG 140 CO 0.43 0.25 -0.09 -1.17 0.02 0.00 0.00 175.30 174.74 1s4u s LEU 141 N -3.58 2.09 -0.01 2.53 2.96 -0.88 -0.49 118.68 121.31 1s4u s LEU 141 Ca 0.32 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 54.00 1s4u s LEU 141 Cb -0.02 -0.37 -0.01 0.00 0.50 0.00 0.00 46.19 46.28 1s4u s LEU 141 CO 0.16 0.02 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.36 1s4u s VAL 142 N -0.54 1.31 0.04 1.68 1.01 -0.18 -1.34 120.40 122.38 1s4u s VAL 142 Ca -0.00 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 1s4u s VAL 142 Cb -0.05 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1s4u s VAL 142 CO 0.00 0.35 0.13 0.00 0.00 0.00 0.00 175.10 175.58 1s4u s ALA 143 N -0.42 -0.15 0.39 5.51 0.00 -0.95 -0.60 121.76 125.53 1s4u s ALA 143 Ca 0.06 -0.49 0.08 0.00 0.00 0.00 0.00 51.96 51.61 1s4u s ALA 143 Cb -0.07 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 1s4u s ALA 143 CO -0.00 -0.34 0.34 0.95 0.00 0.00 0.00 175.76 176.71 1s4u s THR 144 N -2.67 2.95 0.48 0.00 -4.23 -0.62 0.15 115.64 111.70 1s4u s THR 144 Ca -0.04 -1.37 0.02 0.00 -1.18 0.00 0.00 61.69 59.12 1s4u s THR 144 Cb -0.01 -3.06 -0.02 0.00 1.34 0.00 0.00 72.50 70.75 1s4u s THR 144 CO -0.05 -0.06 0.03 1.51 -0.54 0.00 0.00 174.62 175.51 1s4u s ASP 145 N -4.07 3.77 0.46 3.99 1.47 -0.67 -1.07 116.67 120.55 1s4u s ASP 145 Ca 0.45 -1.63 0.26 0.00 1.18 0.00 0.00 52.55 52.81 1s4u s ASP 145 Cb -0.04 0.43 0.73 0.00 -0.34 0.00 0.00 42.92 43.71 1s4u s ASP 145 CO 0.27 -0.83 1.75 0.58 0.68 0.00 0.00 175.17 177.61 1s4u h VAL 146 N 1.50 0.18 0.00 2.11 2.07 -1.44 -2.71 116.25 117.96 1s4u h VAL 146 Ca -0.42 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1s4u h VAL 146 Cb 1.30 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 1s4u h VAL 146 CO 0.71 0.09 0.00 0.29 0.02 0.00 0.00 177.57 178.67 1s4u n LYS 147 N -3.16 0.18 0.00 1.57 4.76 -1.26 -3.26 118.16 116.99 1s4u n LYS 147 Ca 0.02 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1s4u n LYS 147 Cb 0.46 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1s4u n LYS 147 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s4u n GLY 148 N 1.08 0.64 3.77 0.72 0.00 -1.02 -4.21 105.19 106.16 1s4u n GLY 148 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1s4u n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s4u s THR 149 N -2.00 4.28 -0.08 2.61 2.01 -1.26 -4.08 115.64 117.12 1s4u s THR 149 Ca 0.00 1.81 -0.02 0.00 0.31 0.00 0.00 61.69 63.79 1s4u s THR 149 Cb 0.00 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 1s4u s THR 149 CO 0.00 0.51 0.02 0.42 -0.69 0.00 0.00 174.62 174.88 1s4u s THR 150 N -1.17 4.48 0.10 -0.82 -4.23 -0.89 -1.67 115.64 111.45 1s4u s THR 150 Ca 0.37 -0.20 0.08 0.00 -1.18 0.00 0.00 61.69 60.76 1s4u s THR 150 Cb -0.24 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 1s4u s THR 150 CO 0.28 0.59 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.48 1s4u s TYR 151 N -0.92 2.60 -0.10 3.99 2.02 0.12 -1.96 117.35 123.10 1s4u s TYR 151 Ca 0.14 -0.23 -0.01 0.00 -0.37 0.00 0.00 57.07 56.60 1s4u s TYR 151 Cb -0.11 -1.40 0.03 0.00 -0.40 0.00 0.00 41.96 40.08 1s4u s TYR 151 CO 0.03 0.37 -0.02 0.42 -1.57 0.00 0.00 175.55 174.78 1s4u s ILE 152 N -1.11 0.62 0.34 2.71 1.09 -0.64 -2.24 121.20 121.97 1s4u s ILE 152 Ca 0.18 -0.08 0.09 0.00 -1.10 0.00 0.00 60.65 59.74 1s4u s ILE 152 Cb -0.11 -0.76 -0.06 0.00 -1.06 0.00 0.00 42.46 40.48 1s4u s ILE 152 CO 0.10 0.26 -0.05 0.26 -0.10 0.00 0.00 174.94 175.41 1s4u s TRP 153 N 1.87 2.47 -0.14 3.97 0.51 -0.45 -0.39 118.94 126.78 1s4u s TRP 153 Ca 0.04 -0.46 0.02 0.00 -2.12 0.00 0.00 56.10 53.58 1s4u s TRP 153 Cb -0.13 -1.41 0.00 0.00 -0.81 0.00 0.00 33.47 31.13 1s4u s TRP 153 CO -0.06 0.54 -0.19 0.21 -0.51 0.00 0.00 176.95 176.94 1s4u s LYS 154 N -3.65 3.13 0.11 4.98 2.20 -0.15 -2.06 119.74 124.30 1s4u s LYS 154 Ca 0.33 -0.80 -0.19 0.00 -0.36 0.00 0.00 55.97 54.95 1s4u s LYS 154 Cb 0.01 -2.51 -0.07 0.00 -1.51 0.00 0.00 37.83 33.75 1s4u s LYS 154 CO 0.18 0.05 0.61 0.12 -0.36 0.00 0.00 175.35 175.95 1s4u s PHE 155 N 0.70 3.77 -0.09 4.03 5.36 0.10 -1.37 117.98 130.49 1s4u s PHE 155 Ca -0.09 1.30 -0.00 0.00 -0.96 0.00 0.00 56.93 57.18 1s4u s PHE 155 Cb -0.16 -2.53 0.02 0.00 -0.34 0.00 0.00 43.02 40.02 1s4u s PHE 155 CO 0.01 0.53 -0.06 -1.01 -1.46 0.00 0.00 175.22 173.23 1s4u s HIS 156 N -1.22 1.15 0.28 10.12 3.76 -0.77 -3.94 115.29 124.67 1s4u s HIS 156 Ca 0.33 -0.48 0.31 0.00 -0.15 0.00 0.00 55.06 55.07 1s4u s HIS 156 Cb -0.19 -1.01 1.45 0.00 1.11 0.00 0.00 32.58 33.94 1s4u s HIS 156 CO 0.20 -0.38 2.03 -1.35 -0.85 0.00 0.00 174.74 174.39 1s4u h PRO 157 N 7.90 0.00 -4.98 8.40 0.11 -1.88 -1.03 132.00 140.52 1s4u h PRO 157 Ca -0.29 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.32 1s4u h PRO 157 Cb 1.14 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.94 1s4u h PRO 157 CO 0.39 0.09 -0.81 -0.06 -0.21 0.00 0.00 178.00 177.39 1s4u s PHE 158 N -3.89 1.36 0.17 0.65 0.08 -1.25 -1.73 117.98 113.36 1s4u s PHE 158 Ca -0.01 -0.37 -0.09 0.00 0.12 0.00 0.00 56.93 56.58 1s4u s PHE 158 Cb 0.11 -0.93 0.03 0.00 -0.57 0.00 0.00 43.02 41.66 1s4u s PHE 158 CO 0.56 -0.13 1.56 0.00 -0.10 0.00 0.00 175.22 177.10 1s4u h ALA 159 N 6.30 0.71 -3.12 5.36 0.00 -1.37 -3.45 119.26 123.69 1s4u h ALA 159 Ca -0.33 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 1s4u h ALA 159 Cb 1.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1s4u h ALA 159 CO 0.48 0.67 -0.06 -0.40 0.00 0.00 0.00 179.25 179.94 1s4u n ASP 160 N -4.11 -0.30 0.07 0.00 5.68 -1.26 -5.04 116.55 111.59 1s4u n ASP 160 Ca 0.00 -1.52 -0.07 0.00 -0.50 0.00 0.00 54.79 52.70 1s4u n ASP 160 Cb 0.46 0.59 0.07 0.00 -1.14 0.00 0.00 41.12 41.10 1s4u n ASP 160 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1s4u h GLU 161 N 0.00 0.28 -0.92 0.11 4.39 -1.99 -2.43 114.58 114.02 1s4u h GLU 161 Ca -0.07 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1s4u h GLU 161 Cb 0.31 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.96 1s4u h GLU 161 CO 0.09 0.86 0.59 0.66 -1.16 0.00 0.00 179.01 180.05 1s4u h SER 162 N 0.19 1.07 -0.13 1.42 4.64 -1.99 -0.75 113.55 118.00 1s4u h SER 162 Ca -0.02 -0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.13 1s4u h SER 162 Cb 1.23 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1s4u h SER 162 CO 0.11 0.79 -0.38 0.78 -0.87 0.00 0.00 176.83 177.27 1s4u h ASN 163 N 1.25 0.69 -0.63 4.97 2.35 -1.85 -3.19 115.58 119.17 1s4u h ASN 163 Ca 0.33 -0.30 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1s4u h ASN 163 Cb -0.11 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.04 1s4u h ASN 163 CO -0.07 0.99 0.17 -1.28 -1.65 0.00 0.00 177.43 175.60 1s4u h SER 164 N 0.54 0.95 0.54 5.81 0.87 -0.88 0.16 113.55 121.53 1s4u h SER 164 Ca 0.05 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1s4u h SER 164 Cb 0.89 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1s4u h SER 164 CO 0.08 0.92 0.00 -0.07 -0.53 0.00 0.00 176.83 177.23 1s4u h LEU 165 N 0.93 0.00 -2.50 2.23 3.38 -1.15 -2.12 115.31 116.08 1s4u h LEU 165 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1s4u h LEU 165 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1s4u h LEU 165 CO -0.00 0.00 0.00 0.41 0.09 0.00 0.00 178.44 178.94 1s4u n THR 166 N -2.82 0.74 -2.51 0.22 -1.04 -1.07 -4.98 114.28 102.82 1s4u n THR 166 Ca -0.00 -0.87 -0.17 0.00 -2.04 0.00 0.00 64.05 60.97 1s4u n THR 166 Cb 0.19 0.67 -0.00 0.00 -1.82 0.00 0.00 70.33 69.36 1s4u n THR 166 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1s4u n LEU 167 N 0.17 -1.59 -4.55 -4.42 4.32 -0.78 -4.90 117.00 105.25 1s4u n LEU 167 Ca 0.06 0.05 -0.41 0.00 -0.02 0.00 0.00 56.01 55.69 1s4u n LEU 167 Cb 0.30 -2.51 -0.03 0.00 -1.62 0.00 0.00 43.42 39.56 1s4u n LEU 167 CO 0.05 -0.12 1.29 0.21 -1.22 0.00 0.00 177.39 177.59 1s4u s ASN 168 N -2.12 6.21 -0.48 -1.43 2.47 0.48 -4.96 114.94 115.10 1s4u s ASN 168 Ca 0.04 -0.74 -0.46 0.00 0.42 0.00 0.00 52.86 52.12 1s4u s ASN 168 Cb -0.02 -2.56 -0.20 0.00 -1.45 0.00 0.00 41.25 37.02 1s4u s ASN 168 CO 0.05 -1.78 1.64 1.87 -3.72 0.00 0.00 177.10 175.16 1s4u n TRP 169 N 9.46 1.76 -2.72 0.43 -0.00 -1.26 -4.70 117.44 120.42 1s4u n TRP 169 Ca 0.14 1.07 -0.06 0.00 -0.00 0.00 0.00 57.50 58.65 1s4u n TRP 169 Cb 0.50 -2.26 0.06 0.00 -0.00 0.00 0.00 31.31 29.61 1s4u n TRP 169 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 1s4u n SER 170 N 4.30 -2.30 -4.79 5.87 3.41 -0.71 -5.00 113.62 114.41 1s4u n SER 170 Ca 0.32 -2.65 -0.34 0.00 -0.26 0.00 0.00 58.87 55.93 1s4u n SER 170 Cb -0.04 1.38 -0.03 0.00 -0.26 0.00 0.00 64.21 65.27 1s4u n SER 170 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1s4u s PRO 171 N 0.50 3.69 0.12 4.33 0.04 -1.10 -1.02 135.00 141.57 1s4u s PRO 171 Ca 0.29 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.79 1s4u s PRO 171 Cb 0.21 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1s4u s PRO 171 CO -0.17 -0.53 -0.10 0.95 0.04 0.00 0.00 177.00 177.19 1s4u s THR 172 N -1.94 1.05 -0.18 1.26 -4.23 -0.39 -4.88 115.64 106.33 1s4u s THR 172 Ca 0.68 -1.89 0.01 0.00 -1.18 0.00 0.00 61.69 59.31 1s4u s THR 172 Cb -0.18 -1.66 0.03 0.00 1.34 0.00 0.00 72.50 72.04 1s4u s THR 172 CO 0.22 -0.68 -0.13 -0.76 -0.54 0.00 0.00 174.62 172.73 1s4u s LEU 173 N -2.89 2.07 -0.34 4.79 1.43 -1.26 -1.85 118.68 120.64 1s4u s LEU 173 Ca 0.12 -0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 52.39 1s4u s LEU 173 Cb 0.01 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.99 1s4u s LEU 173 CO -0.00 -0.10 0.19 -0.70 0.23 0.00 0.00 176.35 175.97 1s4u s GLU 174 N 1.42 3.23 -0.17 1.70 2.12 -0.47 -4.92 118.70 121.60 1s4u s GLU 174 Ca 0.01 -0.81 -0.29 0.00 0.36 0.00 0.00 54.97 54.25 1s4u s GLU 174 Cb -0.15 -3.67 -0.05 0.00 0.26 0.00 0.00 34.13 30.52 1s4u s GLU 174 CO -0.09 -0.51 2.08 -1.17 -0.54 0.00 0.00 175.26 175.03 1s4u s LEU 175 N 1.62 3.71 0.25 2.70 2.96 -1.26 -0.98 118.68 127.68 1s4u s LEU 175 Ca 0.04 1.99 0.12 0.00 -0.22 0.00 0.00 54.13 56.06 1s4u s LEU 175 Cb -0.18 -3.52 0.21 0.00 0.50 0.00 0.00 46.19 43.20 1s4u s LEU 175 CO 0.07 -1.68 1.51 1.56 -1.32 0.00 0.00 176.35 176.50 1s4u h GLN 176 N 13.51 0.00 0.00 1.98 1.08 -1.04 -3.48 115.11 127.16 1s4u h GLN 176 Ca -0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 1s4u h GLN 176 Cb 1.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 1s4u h GLN 176 CO 0.97 0.66 0.00 0.41 -0.95 0.00 0.00 178.83 179.92 1s4u n GLY 177 N 0.73 0.27 3.18 3.46 0.00 -1.12 -5.02 105.19 106.69 1s4u n GLY 177 Ca -0.00 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.21 1s4u n GLY 177 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s4u s THR 178 N -2.33 0.42 0.01 2.61 -4.23 -1.26 -1.61 115.64 109.25 1s4u s THR 178 Ca 0.00 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 58.62 1s4u s THR 178 Cb 0.00 -1.96 -0.01 0.00 1.34 0.00 0.00 72.50 71.87 1s4u s THR 178 CO 0.00 -0.60 -0.12 0.68 -0.54 0.00 0.00 174.62 174.04 1s4u s VAL 179 N -3.82 0.97 0.40 2.29 -7.23 -0.83 -4.91 120.40 107.27 1s4u s VAL 179 Ca 0.20 -0.69 0.07 0.00 -1.81 0.00 0.00 61.98 59.75 1s4u s VAL 179 Cb 0.07 -0.84 0.01 0.00 0.56 0.00 0.00 36.38 36.17 1s4u s VAL 179 CO 0.00 0.14 0.55 -1.61 -0.31 0.00 0.00 175.10 173.88 1s4u s GLU 180 N -0.63 2.89 -0.21 4.82 2.02 -1.26 -2.09 118.70 124.25 1s4u s GLU 180 Ca 0.03 -1.16 -0.26 0.00 0.02 0.00 0.00 54.97 53.60 1s4u s GLU 180 Cb -0.06 -2.76 -0.01 0.00 0.10 0.00 0.00 34.13 31.40 1s4u s GLU 180 CO 0.00 -0.20 0.88 -1.12 0.02 0.00 0.00 175.26 174.84 1s4u s SER 181 N -4.31 6.95 0.43 -0.19 0.01 -1.26 -4.95 113.70 110.37 1s4u s SER 181 Ca 0.53 1.17 0.12 0.00 1.31 0.00 0.00 55.95 59.08 1s4u s SER 181 Cb -0.10 -2.47 0.98 0.00 0.21 0.00 0.00 66.02 64.65 1s4u s SER 181 CO 0.33 -0.50 1.99 -0.65 0.41 0.00 0.00 173.24 174.82 1s4u h PRO 182 N 7.49 0.44 -7.28 12.44 0.11 -1.97 -3.46 132.00 139.76 1s4u h PRO 182 Ca -0.25 -0.03 -0.50 0.00 0.11 0.00 0.00 66.00 65.34 1s4u h PRO 182 Cb 1.10 -0.10 0.06 0.00 0.11 0.00 0.00 31.00 32.17 1s4u h PRO 182 CO 0.88 0.29 0.39 0.00 -0.21 0.00 0.00 178.00 179.35 1s4u s MET 183 N -5.42 3.47 0.00 1.05 0.23 -1.26 -5.03 119.30 112.33 1s4u s MET 183 Ca -0.08 0.94 0.00 0.00 -1.03 0.00 0.00 55.69 55.52 1s4u s MET 183 Cb 0.19 -2.06 0.00 0.00 -1.53 0.00 0.00 34.83 31.43 1s4u s MET 183 CO 0.75 -0.67 0.00 0.25 -2.03 0.00 0.00 175.02 173.31 1s4u n THR 184 N -2.43 0.00 -1.72 3.16 -2.24 -1.26 -3.99 114.28 105.80 1s4u n THR 184 Ca 0.07 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 1s4u n THR 184 Cb 0.54 -0.04 0.01 0.00 -2.10 0.00 0.00 70.33 68.73 1s4u n THR 184 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1s4u n PRO 185 N 0.00 2.13 -2.92 -0.78 -0.02 -1.26 -4.99 135.00 127.15 1s4u n PRO 185 Ca 0.00 0.75 -0.38 0.00 -2.02 0.00 0.00 63.50 61.85 1s4u n PRO 185 Cb 0.00 -2.45 -0.06 0.00 -0.02 0.00 0.00 33.50 30.97 1s4u n PRO 185 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1s4u s SER 186 N -0.42 7.35 0.26 2.55 0.15 -1.26 -5.06 113.70 117.28 1s4u s SER 186 Ca 0.59 1.69 0.08 0.00 0.70 0.00 0.00 55.95 59.01 1s4u s SER 186 Cb -0.51 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.23 1s4u s SER 186 CO 0.60 0.10 -0.12 -1.10 1.20 0.00 0.00 173.24 173.92 1s4u s GLN 187 N -1.55 1.53 -0.42 5.44 -1.52 -1.26 -4.89 119.66 117.00 1s4u s GLN 187 Ca 0.42 -1.74 -0.45 0.00 -1.95 0.00 0.00 55.36 51.64 1s4u s GLN 187 Cb -0.21 -1.32 -0.19 0.00 -0.22 0.00 0.00 33.01 31.07 1s4u s GLN 187 CO 0.25 0.15 1.59 0.34 -0.25 0.00 0.00 175.29 177.38 1s4u n PHE 188 N -0.55 1.74 -3.08 0.91 7.35 -1.20 -3.67 117.46 118.96 1s4u n PHE 188 Ca -0.06 1.02 -0.44 0.00 -0.76 0.00 0.00 57.45 57.20 1s4u n PHE 188 Cb 0.62 -2.27 -0.05 0.00 0.35 0.00 0.00 39.48 38.13 1s4u n PHE 188 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1s4u s ALA 189 N 2.88 3.36 0.11 3.13 0.00 -1.25 -0.63 121.76 129.37 1s4u s ALA 189 Ca 1.03 -2.05 0.11 0.00 0.00 0.00 0.00 51.96 51.05 1s4u s ALA 189 Cb -1.39 -3.54 0.10 0.00 0.00 0.00 0.00 23.12 18.29 1s4u s ALA 189 CO 0.77 -2.33 1.45 1.79 0.00 0.00 0.00 175.76 177.44 1s4u h THR 190 N 5.92 1.37 -3.63 0.00 1.35 -1.51 -3.41 112.91 113.01 1s4u h THR 190 Ca -0.29 -2.62 -0.07 0.00 -0.55 0.00 0.00 66.41 62.88 1s4u h THR 190 Cb 1.09 2.47 -0.13 0.00 -1.73 0.00 0.00 68.15 69.84 1s4u h THR 190 CO 1.08 0.71 -0.24 -0.94 -0.25 0.00 0.00 175.52 175.89 1s4u s SER 191 N -6.66 -0.04 0.08 5.36 1.04 -1.19 -4.55 113.70 107.74 1s4u s SER 191 Ca 0.01 -0.53 -0.21 0.00 0.48 0.00 0.00 55.95 55.70 1s4u s SER 191 Cb 0.10 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.68 1s4u s SER 191 CO 0.77 -0.80 0.50 0.68 0.98 0.00 0.00 173.24 175.38 1s4u s VAL 192 N -3.85 0.03 0.16 5.02 -7.23 -1.26 -1.25 120.40 112.03 1s4u s VAL 192 Ca 0.05 -0.28 -0.19 0.00 -1.81 0.00 0.00 61.98 59.75 1s4u s VAL 192 Cb 0.03 -1.02 0.04 0.00 0.56 0.00 0.00 36.38 36.00 1s4u s VAL 192 CO -0.10 -0.15 0.52 -0.62 -0.31 0.00 0.00 175.10 174.43 1s4u s ASP 193 N -2.29 -0.36 -0.03 4.85 2.15 -0.66 -4.75 116.67 115.58 1s4u s ASP 193 Ca -0.02 -0.27 0.01 0.00 0.43 0.00 0.00 52.55 52.69 1s4u s ASP 193 Cb -0.00 0.56 0.02 0.00 -0.30 0.00 0.00 42.92 43.20 1s4u s ASP 193 CO -0.06 -0.97 -0.01 0.27 -0.17 0.00 0.00 175.17 174.22 1s4u s ILE 194 N -3.81 0.26 0.71 4.11 -4.36 -1.26 -1.80 121.20 115.05 1s4u s ILE 194 Ca 0.05 0.02 -0.06 0.00 -0.26 0.00 0.00 60.65 60.39 1s4u s ILE 194 Cb -0.00 -0.33 0.07 0.00 1.25 0.00 0.00 42.46 43.45 1s4u s ILE 194 CO -0.09 0.15 1.02 -0.94 0.24 0.00 0.00 174.94 175.33 1s4u s SER 195 N 0.89 4.69 0.19 4.36 1.04 0.29 -4.93 113.70 120.23 1s4u s SER 195 Ca -0.10 0.36 -0.03 0.00 0.48 0.00 0.00 55.95 56.67 1s4u s SER 195 Cb -0.13 -0.97 0.11 0.00 0.10 0.00 0.00 66.02 65.13 1s4u s SER 195 CO -0.01 -1.67 1.49 -0.08 0.98 0.00 0.00 173.24 173.95 1s4u h GLU 196 N -0.63 0.52 0.00 4.02 4.57 -1.89 -3.12 114.58 118.05 1s4u h GLU 196 Ca -0.44 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.40 1s4u h GLU 196 Cb 1.31 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1s4u h GLU 196 CO 0.57 0.95 0.00 -2.13 -1.18 0.00 0.00 179.01 177.23 1s4u n ARG 197 N -3.94 0.09 -0.29 1.92 3.00 -1.26 -4.88 116.66 111.30 1s4u n ARG 197 Ca -0.03 0.18 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 1s4u n ARG 197 Cb 0.62 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.58 1s4u n ARG 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1s4u n GLY 198 N 0.25 1.33 3.63 5.14 0.00 -1.18 -5.02 105.19 109.35 1s4u n GLY 198 Ca 0.06 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1s4u n GLY 198 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s4u s LEU 199 N -0.07 3.34 -0.07 0.99 1.43 -1.26 -1.41 118.68 121.63 1s4u s LEU 199 Ca 0.00 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1s4u s LEU 199 Cb 0.00 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1s4u s LEU 199 CO 0.00 0.32 -0.14 -0.63 0.23 0.00 0.00 176.35 176.13 1s4u s ILE 200 N -0.96 3.05 -0.03 -0.59 1.01 -0.52 -0.55 121.20 122.61 1s4u s ILE 200 Ca 0.16 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.14 1s4u s ILE 200 Cb -0.11 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 1s4u s ILE 200 CO 0.06 0.57 -0.16 0.00 0.00 0.00 0.00 174.94 175.41 1s4u s ALA 201 N -0.45 1.42 -0.10 9.38 0.00 -0.75 -0.96 121.76 130.30 1s4u s ALA 201 Ca 0.06 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.35 1s4u s ALA 201 Cb -0.12 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.59 1s4u s ALA 201 CO 0.02 0.29 -0.11 0.99 0.00 0.00 0.00 175.76 176.95 1s4u s THR 202 N -0.12 1.22 0.18 0.00 2.01 -0.79 -1.65 115.64 116.48 1s4u s THR 202 Ca 0.00 -0.46 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 1s4u s THR 202 Cb -0.09 -1.16 -0.06 0.00 0.01 0.00 0.00 72.50 71.20 1s4u s THR 202 CO 0.01 0.39 0.43 -0.83 -0.69 0.00 0.00 174.62 173.92 1s4u s GLY 203 N 1.21 2.18 0.14 4.40 0.00 -0.38 -2.08 107.32 112.79 1s4u s GLY 203 Ca -0.03 -0.52 0.05 0.00 0.00 0.00 0.00 44.72 44.21 1s4u s GLY 203 CO -0.03 -0.43 -0.11 -1.36 0.00 0.00 0.00 173.10 171.16 1s4u s PHE 204 N -1.74 1.30 -2.00 1.90 0.40 -0.68 -1.35 117.98 115.81 1s4u s PHE 204 Ca 0.42 -0.68 0.10 0.00 -0.60 0.00 0.00 56.93 56.18 1s4u s PHE 204 Cb -0.12 -0.67 0.60 0.00 0.51 0.00 0.00 43.02 43.35 1s4u s PHE 204 CO 0.25 0.11 1.31 0.27 0.70 0.00 0.00 175.22 177.85 1s4u n ASN 205 N 0.09 0.00 -0.88 1.36 6.94 0.20 -2.05 115.26 120.93 1s4u n ASN 205 Ca -0.12 -1.50 0.08 0.00 -0.02 0.00 0.00 54.58 53.02 1s4u n ASN 205 Cb 0.59 0.00 0.21 0.00 -2.36 0.00 0.00 39.78 38.22 1s4u n ASN 205 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1s4u n ASN 206 N -0.67 3.24 0.00 0.53 0.23 -1.26 -3.36 115.26 113.97 1s4u n ASN 206 Ca 0.08 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.14 1s4u n ASN 206 Cb 0.03 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.43 1s4u n ASN 206 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s4u n GLY 207 N 0.91 0.91 3.87 4.83 0.00 -1.05 -3.75 105.19 110.91 1s4u n GLY 207 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1s4u n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s4u s THR 208 N -2.88 4.84 -0.02 2.61 2.01 -1.26 -4.53 115.64 116.42 1s4u s THR 208 Ca 0.00 0.58 0.00 0.00 0.31 0.00 0.00 61.69 62.58 1s4u s THR 208 Cb 0.00 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.89 1s4u s THR 208 CO 0.00 -0.22 0.02 -0.69 -0.69 0.00 0.00 174.62 173.04 1s4u s VAL 209 N -2.00 0.02 -0.16 3.82 1.01 -0.69 -1.69 120.40 120.70 1s4u s VAL 209 Ca 0.50 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.66 1s4u s VAL 209 Cb -0.11 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 36.13 1s4u s VAL 209 CO 0.23 0.11 -0.17 -1.58 0.00 0.00 0.00 175.10 173.69 1s4u s GLN 210 N 1.09 3.13 -0.15 2.72 0.74 -0.88 -1.80 119.66 124.50 1s4u s GLN 210 Ca -0.09 -0.78 -0.12 0.00 0.05 0.00 0.00 55.36 54.42 1s4u s GLN 210 Cb -0.13 -2.60 -0.05 0.00 1.10 0.00 0.00 33.01 31.33 1s4u s GLN 210 CO -0.03 -0.06 0.23 0.42 -0.55 0.00 0.00 175.29 175.30 1s4u s ILE 211 N 0.98 5.35 0.28 -2.34 1.01 -0.94 -1.89 121.20 123.65 1s4u s ILE 211 Ca -0.02 0.41 0.08 0.00 0.00 0.00 0.00 60.65 61.12 1s4u s ILE 211 Cb -0.15 -3.55 -0.06 0.00 0.01 0.00 0.00 42.46 38.71 1s4u s ILE 211 CO -0.04 0.46 -0.10 -0.94 0.00 0.00 0.00 174.94 174.32 1s4u s SER 212 N 0.06 3.03 -0.19 3.58 1.04 -0.14 -1.58 113.70 119.51 1s4u s SER 212 Ca 0.14 -1.14 -0.15 0.00 0.48 0.00 0.00 55.95 55.28 1s4u s SER 212 Cb -0.13 -0.22 -0.04 0.00 0.10 0.00 0.00 66.02 65.74 1s4u s SER 212 CO 0.03 -0.24 0.35 -0.70 0.98 0.00 0.00 173.24 173.66 1s4u s GLU 213 N -3.66 4.19 0.28 4.02 2.56 -0.96 -1.44 118.70 123.69 1s4u s GLU 213 Ca 0.29 0.13 -0.29 0.00 0.00 0.00 0.00 54.97 55.09 1s4u s GLU 213 Cb 0.02 -3.51 -0.10 0.00 2.00 0.00 0.00 34.13 32.54 1s4u s GLU 213 CO 0.12 0.04 1.20 -1.17 -0.56 0.00 0.00 175.26 174.90 1s4u s LEU 214 N 1.06 4.49 0.00 2.70 2.96 -0.50 0.80 118.68 130.20 1s4u s LEU 214 Ca 0.17 2.44 0.00 0.00 -0.22 0.00 0.00 54.13 56.52 1s4u s LEU 214 Cb -0.14 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1s4u s LEU 214 CO 0.07 -0.34 0.00 -1.54 -1.32 0.00 0.00 176.35 173.22 1s4u n SER 215 N 1.27 0.00 -0.06 3.68 3.41 -1.26 -4.60 113.62 116.06 1s4u n SER 215 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.41 1s4u n SER 215 Cb 0.43 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.26 1s4u n SER 215 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1s4u h THR 216 N 0.00 1.01 -1.74 6.66 2.02 -1.95 -3.49 112.91 115.43 1s4u h THR 216 Ca 0.00 -2.27 -0.36 0.00 0.77 0.00 0.00 66.41 64.55 1s4u h THR 216 Cb 0.00 2.51 -0.08 0.00 -1.74 0.00 0.00 68.15 68.84 1s4u h THR 216 CO 0.00 0.51 -0.40 0.18 0.37 0.00 0.00 175.52 176.18 1s4u n LEU 217 N -4.22 -1.57 -4.67 2.58 4.77 0.24 -5.02 117.00 109.11 1s4u n LEU 217 Ca -0.28 0.20 -0.35 0.00 -0.03 0.00 0.00 56.01 55.56 1s4u n LEU 217 Cb 0.75 -2.56 -0.10 0.00 -2.33 0.00 0.00 43.42 39.18 1s4u n LEU 217 CO 0.29 -0.55 -0.32 -0.13 -1.33 0.00 0.00 177.39 175.35 1s4u s ARG 218 N -4.23 2.97 0.09 3.23 0.52 -1.24 -4.57 118.95 115.71 1s4u s ARG 218 Ca 0.00 -0.43 -0.35 0.00 -0.52 0.00 0.00 55.73 54.43 1s4u s ARG 218 Cb 0.00 -2.77 -0.15 0.00 0.52 0.00 0.00 34.95 32.55 1s4u s ARG 218 CO 0.00 0.69 1.51 -2.30 0.02 0.00 0.00 175.30 175.22 1s4u n PRO 219 N 2.18 1.70 -0.08 3.54 -0.02 -1.26 -2.25 135.00 138.80 1s4u n PRO 219 Ca -0.18 0.61 -0.13 0.00 -2.02 0.00 0.00 63.50 61.78 1s4u n PRO 219 Cb 0.54 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 1s4u n PRO 219 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1s4u h LEU 220 N 5.67 0.00 0.00 2.45 3.38 -1.62 -3.47 115.31 121.71 1s4u h LEU 220 Ca -0.46 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.15 1s4u h LEU 220 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1s4u h LEU 220 CO 0.85 1.09 0.06 0.00 0.09 0.00 0.00 178.44 180.52 1s4u n TYR 221 N -4.55 -0.85 -3.79 1.13 0.18 -1.14 -5.06 117.16 103.08 1s4u n TYR 221 Ca -0.18 -0.18 -0.04 0.00 1.88 0.00 0.00 57.90 59.38 1s4u n TYR 221 Cb 0.45 0.09 -0.01 0.00 -0.38 0.00 0.00 39.34 39.49 1s4u n TYR 221 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1s4u s ASN 222 N -1.28 -0.14 -0.04 9.48 4.22 -1.26 -2.21 114.94 123.72 1s4u s ASN 222 Ca 0.02 -0.53 -0.29 0.00 -2.14 0.00 0.00 52.86 49.92 1s4u s ASN 222 Cb -0.00 0.54 0.09 0.00 1.28 0.00 0.00 41.25 43.16 1s4u s ASN 222 CO 0.01 -1.02 0.79 0.72 -2.04 0.00 0.00 177.10 175.56 1s4u s PHE 223 N -3.07 -0.51 0.38 1.54 -0.12 -0.75 -5.00 117.98 110.46 1s4u s PHE 223 Ca 0.14 0.70 0.08 0.00 -0.05 0.00 0.00 56.93 57.80 1s4u s PHE 223 Cb -0.02 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 1s4u s PHE 223 CO 0.04 -0.57 0.19 -1.21 -0.05 0.00 0.00 175.22 173.62 1s4u s GLU 224 N -1.95 2.32 0.00 1.99 2.02 -1.26 -1.71 118.70 120.12 1s4u s GLU 224 Ca -0.04 -1.68 0.00 0.00 0.02 0.00 0.00 54.97 53.28 1s4u s GLU 224 Cb -0.00 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.11 1s4u s GLU 224 CO 0.00 -0.03 0.00 -1.71 0.02 0.00 0.00 175.26 173.55 1s4u n ASN 234 N -1.24 0.00 -4.73 -0.19 4.05 -1.25 -4.82 115.26 107.09 1s4u n ASN 234 Ca -0.01 0.00 -0.41 0.00 0.45 0.00 0.00 54.58 54.61 1s4u n ASN 234 Cb 0.63 0.00 0.01 0.00 1.23 0.00 0.00 39.78 41.65 1s4u n ASN 234 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1s4u n SER 235 N 0.00 2.94 -4.75 1.20 2.88 -1.21 -2.54 113.62 112.14 1s4u n SER 235 Ca 0.00 1.13 -0.40 0.00 -1.33 0.00 0.00 58.87 58.27 1s4u n SER 235 Cb 0.00 -1.55 -0.05 0.00 -0.75 0.00 0.00 64.21 61.86 1s4u n SER 235 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1s4u s ILE 236 N -1.19 4.53 -0.11 2.46 -1.09 -0.87 -0.78 121.20 124.15 1s4u s ILE 236 Ca 0.60 1.78 0.07 0.00 -2.23 0.00 0.00 60.65 60.87 1s4u s ILE 236 Cb -0.49 -4.18 -0.12 0.00 -1.58 0.00 0.00 42.46 36.10 1s4u s ILE 236 CO 0.58 0.41 -0.01 0.54 -1.23 0.00 0.00 174.94 175.23 1s4u n ARG 237 N 2.37 1.69 -3.77 2.79 1.74 -0.26 -4.66 116.66 116.58 1s4u n ARG 237 Ca -0.02 0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1s4u n ARG 237 Cb 0.49 -1.27 -0.09 0.00 -1.02 0.00 0.00 32.46 30.58 1s4u n ARG 237 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1s4u s SER 238 N -4.59 -0.19 -0.09 0.55 0.15 -1.22 -4.73 113.70 103.57 1s4u s SER 238 Ca -0.09 0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.65 1s4u s SER 238 Cb 0.04 0.34 0.05 0.00 -1.71 0.00 0.00 66.02 64.74 1s4u s SER 238 CO 0.39 -0.41 0.17 -0.69 1.20 0.00 0.00 173.24 173.90 1s4u s VAL 239 N -1.18 -0.27 -0.05 4.45 1.01 -1.26 -1.35 120.40 121.75 1s4u s VAL 239 Ca -0.12 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 1s4u s VAL 239 Cb -0.05 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 36.04 1s4u s VAL 239 CO 0.04 0.12 0.09 -0.54 0.00 0.00 0.00 175.10 174.81 1s4u s LYS 240 N 2.30 -0.04 0.22 2.72 -0.14 -0.83 -4.21 119.74 119.76 1s4u s LYS 240 Ca 0.03 0.42 -0.30 0.00 -1.36 0.00 0.00 55.97 54.76 1s4u s LYS 240 Cb -0.12 -0.41 -0.09 0.00 -1.68 0.00 0.00 37.83 35.53 1s4u s LYS 240 CO -0.06 -0.31 1.15 -0.06 -0.76 0.00 0.00 175.35 175.31 1s4u s PHE 241 N 2.09 3.50 0.63 3.18 0.08 -1.26 -1.38 117.98 124.81 1s4u s PHE 241 Ca 0.03 1.56 -0.18 0.00 0.12 0.00 0.00 56.93 58.46 1s4u s PHE 241 Cb -0.12 -3.36 -0.02 0.00 -0.57 0.00 0.00 43.02 38.95 1s4u s PHE 241 CO -0.04 -0.88 1.24 -1.54 -0.10 0.00 0.00 175.22 173.91 1s4u s SER 242 N -0.30 4.86 0.28 1.36 1.04 -0.00 -4.89 113.70 116.05 1s4u s SER 242 Ca 0.49 2.49 0.03 0.00 0.48 0.00 0.00 55.95 59.43 1s4u s SER 242 Cb -0.32 -2.61 0.69 0.00 0.10 0.00 0.00 66.02 63.88 1s4u s SER 242 CO 0.39 -1.82 1.69 -0.65 0.98 0.00 0.00 173.24 173.82 1s4u h PRO 243 N 0.64 0.37 -0.50 4.02 0.11 -1.86 0.86 132.00 135.65 1s4u h PRO 243 Ca -0.50 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.68 1s4u h PRO 243 Cb 1.31 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 1s4u h PRO 243 CO 0.54 0.25 -0.05 1.96 -0.21 0.00 0.00 178.00 180.48 1s4u h GLN 244 N 0.38 0.06 0.00 1.05 7.50 -1.90 -3.42 115.11 118.79 1s4u h GLN 244 Ca 0.54 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.69 1s4u h GLN 244 Cb 1.01 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.53 1s4u h GLN 244 CO -0.53 0.04 0.00 0.41 -1.50 0.00 0.00 178.83 177.25 1s4u n GLY 245 N -1.33 0.46 0.09 3.46 0.00 0.30 -4.69 105.19 103.48 1s4u n GLY 245 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1s4u n GLY 245 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s4u n SER 246 N 0.00 0.43 -3.94 1.61 3.41 -1.26 -4.81 113.62 109.06 1s4u n SER 246 Ca 0.00 -0.42 -0.12 0.00 -0.26 0.00 0.00 58.87 58.07 1s4u n SER 246 Cb 0.00 -0.09 -0.13 0.00 -0.26 0.00 0.00 64.21 63.73 1s4u n SER 246 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1s4u s LEU 247 N -2.59 2.10 -0.16 1.04 2.96 -1.26 -2.95 118.68 117.82 1s4u s LEU 247 Ca 0.25 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 1s4u s LEU 247 Cb 0.20 -0.03 0.03 0.00 0.50 0.00 0.00 46.19 46.88 1s4u s LEU 247 CO 0.50 -0.10 -0.11 -0.22 -1.32 0.00 0.00 176.35 175.10 1s4u s LEU 248 N -0.61 1.74 -0.09 -0.68 2.96 -0.34 -0.82 118.68 120.83 1s4u s LEU 248 Ca -0.05 -0.57 -0.12 0.00 -0.22 0.00 0.00 54.13 53.17 1s4u s LEU 248 Cb -0.04 -1.11 -0.05 0.00 0.50 0.00 0.00 46.19 45.49 1s4u s LEU 248 CO -0.00 -0.10 0.29 0.00 -1.32 0.00 0.00 176.35 175.22 1s4u s ALA 249 N 1.51 3.71 -0.08 5.97 0.00 -0.48 -1.19 121.76 131.20 1s4u s ALA 249 Ca 0.03 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 1s4u s ALA 249 Cb -0.14 -2.27 0.03 0.00 0.00 0.00 0.00 23.12 20.74 1s4u s ALA 249 CO -0.09 0.38 -0.02 0.42 0.00 0.00 0.00 175.76 176.44 1s4u s ILE 250 N -0.49 0.54 -0.09 0.00 1.01 -0.63 -1.96 121.20 119.58 1s4u s ILE 250 Ca 0.18 0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.67 1s4u s ILE 250 Cb -0.14 -0.67 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 1s4u s ILE 250 CO 0.07 0.28 0.44 0.00 0.00 0.00 0.00 174.94 175.73 1s4u s ALA 251 N 1.91 3.54 -0.09 9.38 0.00 -0.46 -1.37 121.76 134.67 1s4u s ALA 251 Ca 0.05 -0.22 -0.18 0.00 0.00 0.00 0.00 51.96 51.61 1s4u s ALA 251 Cb -0.12 -2.56 0.04 0.00 0.00 0.00 0.00 23.12 20.48 1s4u s ALA 251 CO -0.06 0.13 0.43 -3.38 0.00 0.00 0.00 175.76 172.88 1s4u s HIS 252 N 0.17 -0.40 0.55 0.00 -3.43 -0.30 -1.10 115.29 110.78 1s4u s HIS 252 Ca 0.24 0.84 -0.19 0.00 -0.80 0.00 0.00 55.06 55.16 1s4u s HIS 252 Cb -0.15 0.18 -0.05 0.00 -1.43 0.00 0.00 32.58 31.12 1s4u s HIS 252 CO 0.10 -0.35 1.09 -0.51 -2.00 0.00 0.00 174.74 173.08 1s4u s ASP 253 N -0.56 5.81 -0.34 7.38 -0.00 0.04 -1.19 116.67 127.80 1s4u s ASP 253 Ca -0.07 2.04 0.02 0.00 -0.00 0.00 0.00 52.55 54.54 1s4u s ASP 253 Cb -0.03 -2.57 0.19 0.00 -0.00 0.00 0.00 42.92 40.51 1s4u s ASP 253 CO 0.03 -1.15 0.74 -0.55 -0.00 0.00 0.00 175.17 174.24 1s4u s SER 254 N -2.07 -1.23 -1.32 0.27 0.15 -0.78 -4.45 113.70 104.27 1s4u s SER 254 Ca 0.69 -0.26 -0.01 0.00 0.70 0.00 0.00 55.95 57.08 1s4u s SER 254 Cb -0.20 1.65 0.00 0.00 -1.71 0.00 0.00 66.02 65.76 1s4u s SER 254 CO 0.28 -0.18 0.69 0.59 1.20 0.00 0.00 173.24 175.83 1s4u n ASN 255 N 4.72 -1.27 0.00 5.45 4.13 -1.26 -2.20 115.26 124.83 1s4u n ASN 255 Ca 0.08 -0.83 0.00 0.00 1.68 0.00 0.00 54.58 55.51 1s4u n ASN 255 Cb 0.57 -3.99 0.00 0.00 -1.54 0.00 0.00 39.78 34.82 1s4u n ASN 255 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1s4u n SER 256 N -3.04 0.00 -4.95 6.41 3.41 -1.26 -5.01 113.62 109.17 1s4u n SER 256 Ca -0.29 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.14 1s4u n SER 256 Cb 0.67 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.61 1s4u n SER 256 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1s4u s PHE 257 N -2.71 2.79 -0.13 7.33 0.40 -0.93 -4.32 117.98 120.40 1s4u s PHE 257 Ca 0.00 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1s4u s PHE 257 Cb 0.00 -2.26 -0.01 0.00 0.51 0.00 0.00 43.02 41.25 1s4u s PHE 257 CO 0.00 -0.26 -0.14 0.20 0.70 0.00 0.00 175.22 175.72 1s4u s GLY 258 N -4.24 1.52 0.03 4.36 0.00 -0.78 -1.86 107.32 106.35 1s4u s GLY 258 Ca 0.51 -0.92 0.08 0.00 0.00 0.00 0.00 44.72 44.39 1s4u s GLY 258 CO 0.31 -0.17 -0.21 0.00 0.00 0.00 0.00 173.10 173.03 1s4u s ILE 260 N -0.86 3.26 -0.10 0.00 1.01 -1.26 -1.15 121.20 122.10 1s4u s ILE 260 Ca 0.13 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.24 1s4u s ILE 260 Cb -0.10 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.97 1s4u s ILE 260 CO 0.04 0.50 -0.20 -0.89 0.00 0.00 0.00 174.94 174.38 1s4u s THR 261 N 0.63 1.80 0.08 2.92 2.01 -0.47 -2.09 115.64 120.52 1s4u s THR 261 Ca -0.05 -0.85 -0.11 0.00 0.31 0.00 0.00 61.69 60.98 1s4u s THR 261 Cb -0.15 -1.58 -0.06 0.00 0.01 0.00 0.00 72.50 70.72 1s4u s THR 261 CO 0.03 0.50 0.43 -0.76 -0.69 0.00 0.00 174.62 174.13 1s4u s LEU 262 N 0.57 4.36 -0.02 4.42 1.43 0.34 -1.61 118.68 128.16 1s4u s LEU 262 Ca -0.15 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 1s4u s LEU 262 Cb -0.17 -3.00 0.01 0.00 0.03 0.00 0.00 46.19 43.07 1s4u s LEU 262 CO 0.05 0.17 -0.03 -0.31 0.23 0.00 0.00 176.35 176.46 1s4u s TYR 263 N -1.38 0.44 0.33 0.29 1.51 -0.33 -2.34 117.35 115.87 1s4u s TYR 263 Ca 0.33 -0.08 -0.28 0.00 -1.01 0.00 0.00 57.07 56.04 1s4u s TYR 263 Cb -0.14 -0.40 -0.09 0.00 -0.11 0.00 0.00 41.96 41.21 1s4u s TYR 263 CO 0.18 -0.09 1.18 -2.00 -1.11 0.00 0.00 175.55 173.71 1s4u s GLU 264 N 0.52 4.38 -0.59 -0.62 -6.30 -0.33 -1.20 118.70 114.55 1s4u s GLU 264 Ca -0.06 1.93 -0.02 0.00 -2.50 0.00 0.00 54.97 54.33 1s4u s GLU 264 Cb -0.09 -2.99 0.15 0.00 0.00 0.00 0.00 34.13 31.20 1s4u s GLU 264 CO -0.01 -0.07 0.39 -0.08 0.02 0.00 0.00 175.26 175.52 1s4u s THR 265 N -1.24 3.54 0.01 -1.70 -1.32 -1.15 -2.87 115.64 110.90 1s4u s THR 265 Ca 0.50 -2.91 0.00 0.00 -1.21 0.00 0.00 61.69 58.07 1s4u s THR 265 Cb -0.34 -3.33 0.00 0.00 -1.51 0.00 0.00 72.50 67.32 1s4u s THR 265 CO 0.44 -0.85 0.00 1.21 -2.21 0.00 0.00 174.62 173.21 1s4u n GLU 266 N 3.56 0.00 -0.01 7.08 4.07 -1.26 -4.87 120.64 129.21 1s4u n GLU 266 Ca 0.07 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.21 1s4u n GLU 266 Cb 0.38 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.68 1s4u n GLU 266 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1s4u n PHE 267 N -2.25 0.00 -0.42 4.31 3.01 -1.26 -5.04 117.46 115.82 1s4u n PHE 267 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1s4u n PHE 267 Cb 0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 1s4u n PHE 267 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s4u n GLY 268 N 1.96 0.75 3.73 1.37 0.00 -1.14 -4.93 105.19 106.93 1s4u n GLY 268 Ca -0.03 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 1s4u n GLY 268 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s4u s GLU 269 N -0.79 4.38 0.07 1.61 2.12 -1.23 -4.81 118.70 120.05 1s4u s GLU 269 Ca 0.00 2.04 -0.31 0.00 0.36 0.00 0.00 54.97 57.07 1s4u s GLU 269 Cb 0.00 -3.21 -0.08 0.00 0.26 0.00 0.00 34.13 31.10 1s4u s GLU 269 CO 0.00 -0.29 1.54 0.50 -0.54 0.00 0.00 175.26 176.47 1s4u s ARG 270 N 0.16 4.24 -0.00 4.30 3.52 -1.26 -1.19 118.95 128.72 1s4u s ARG 270 Ca 0.58 2.20 0.12 0.00 -0.13 0.00 0.00 55.73 58.50 1s4u s ARG 270 Cb -0.36 -3.49 -0.15 0.00 -1.56 0.00 0.00 34.95 29.39 1s4u s ARG 270 CO 0.36 -0.64 0.46 0.44 -0.81 0.00 0.00 175.30 175.11 1s4u n ILE 271 N 4.52 0.00 -2.60 4.11 -5.35 -0.99 -4.89 119.36 114.16 1s4u n ILE 271 Ca 0.14 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1s4u n ILE 271 Cb 0.41 0.82 0.00 0.00 -1.74 0.00 0.00 39.64 39.13 1s4u n ILE 271 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s4u n GLY 272 N 1.40 -1.37 3.68 3.28 0.00 -1.19 -5.02 105.19 105.97 1s4u n GLY 272 Ca 0.01 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 1s4u n GLY 272 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s4u s SER 273 N -3.14 -0.14 -0.10 1.61 1.04 -1.26 -0.51 113.70 111.19 1s4u s SER 273 Ca 0.00 -0.83 0.02 0.00 0.48 0.00 0.00 55.95 55.62 1s4u s SER 273 Cb 0.00 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.77 1s4u s SER 273 CO 0.00 -1.22 -0.16 -0.76 0.98 0.00 0.00 173.24 172.09 1s4u s LEU 274 N -2.99 1.76 0.15 2.42 1.43 -0.89 -4.91 118.68 115.64 1s4u s LEU 274 Ca 0.19 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 1s4u s LEU 274 Cb -0.02 -1.10 0.01 0.00 0.03 0.00 0.00 46.19 45.11 1s4u s LEU 274 CO 0.08 0.03 0.35 -0.94 0.23 0.00 0.00 176.35 176.11 1s4u s SER 275 N 0.89 -0.07 -1.19 2.29 1.04 -1.26 -3.28 113.70 112.12 1s4u s SER 275 Ca -0.09 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1s4u s SER 275 Cb -0.15 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1s4u s SER 275 CO -0.00 -0.89 0.00 0.52 0.98 0.00 0.00 173.24 173.84 1s4u n VAL 276 N -0.22 0.00 0.00 5.02 0.31 -1.26 -4.76 118.33 117.42 1s4u n VAL 276 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1s4u n VAL 276 Cb 0.63 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 1s4u n VAL 276 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1s4u n PHE 288 N -1.75 0.00 0.05 3.52 -1.74 -1.26 -4.92 117.46 111.36 1s4u n PHE 288 Ca -0.11 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.58 1s4u n PHE 288 Cb 0.39 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.25 1s4u n PHE 288 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1s4u h ALA 289 N 0.00 -0.05 -3.54 1.98 0.00 -1.22 -3.47 119.26 112.97 1s4u h ALA 289 Ca 0.00 -0.69 -0.35 0.00 0.00 0.00 0.00 54.91 53.87 1s4u h ALA 289 Cb 0.00 0.09 -0.24 0.00 0.00 0.00 0.00 17.79 17.64 1s4u h ALA 289 CO 0.00 0.43 -0.76 -1.01 0.00 0.00 0.00 179.25 177.91 1s4u s HIS 290 N -2.71 0.86 -0.26 0.00 3.76 -0.75 -4.89 115.29 111.30 1s4u s HIS 290 Ca -0.13 -0.36 0.27 0.00 -0.15 0.00 0.00 55.06 54.69 1s4u s HIS 290 Cb 0.02 -0.51 1.17 0.00 1.11 0.00 0.00 32.58 34.37 1s4u s HIS 290 CO 0.85 -0.02 1.80 0.66 -0.85 0.00 0.00 174.74 177.18 1s4u h SER 291 N 4.95 0.00 -3.29 1.40 4.64 -1.90 -2.06 113.55 117.29 1s4u h SER 291 Ca -0.35 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.78 1s4u h SER 291 Cb 1.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 1s4u h SER 291 CO 0.44 0.00 -0.16 -0.24 -0.87 0.00 0.00 176.83 176.00 1s4u n SER 292 N -2.46 1.09 -4.62 4.97 2.88 -1.26 -4.47 113.62 109.74 1s4u n SER 292 Ca 0.01 -1.73 -0.43 0.00 -1.33 0.00 0.00 58.87 55.39 1s4u n SER 292 Cb 0.21 0.34 -0.01 0.00 -0.75 0.00 0.00 64.21 64.00 1s4u n SER 292 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1s4u n TRP 293 N -0.31 1.49 -2.86 0.66 5.03 -1.26 -2.16 117.44 118.04 1s4u n TRP 293 Ca -0.02 0.63 -0.43 0.00 3.03 0.00 0.00 57.50 60.71 1s4u n TRP 293 Cb 0.20 -2.29 -0.04 0.00 -1.03 0.00 0.00 31.31 28.16 1s4u n TRP 293 CO 0.00 0.00 0.00 0.08 -0.03 0.00 0.00 177.69 177.74 1s4u s VAL 294 N -1.12 4.42 0.04 -0.99 1.01 -1.26 -0.76 120.40 121.73 1s4u s VAL 294 Ca 0.59 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.83 1s4u s VAL 294 Cb -0.64 -4.53 -0.24 0.00 0.00 0.00 0.00 36.38 30.97 1s4u s VAL 294 CO 0.60 -1.10 1.00 0.24 0.00 0.00 0.00 175.10 175.83 1s4u h MET 295 N 9.30 0.10 -2.68 2.72 0.00 -0.96 -3.43 114.93 119.98 1s4u h MET 295 Ca -0.26 -0.17 -0.05 0.00 0.00 0.00 0.00 59.70 59.21 1s4u h MET 295 Cb 1.07 0.06 -0.16 0.00 0.00 0.00 0.00 31.60 32.58 1s4u h MET 295 CO 1.08 0.94 0.09 0.45 0.00 0.00 0.00 176.91 179.48 1s4u s SER 296 N -6.69 -0.50 0.14 1.22 0.15 -1.17 -4.54 113.70 102.31 1s4u s SER 296 Ca -0.04 0.24 0.09 0.00 0.70 0.00 0.00 55.95 56.95 1s4u s SER 296 Cb 0.08 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.87 1s4u s SER 296 CO 0.84 -0.74 -0.22 -0.76 1.20 0.00 0.00 173.24 173.55 1s4u s LEU 297 N -1.97 2.36 -0.26 3.45 1.43 -1.26 -1.19 118.68 121.23 1s4u s LEU 297 Ca -0.05 -0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 52.24 1s4u s LEU 297 Cb -0.01 -1.00 0.15 0.00 0.03 0.00 0.00 46.19 45.36 1s4u s LEU 297 CO -0.02 0.08 0.50 -0.55 0.23 0.00 0.00 176.35 176.59 1s4u s SER 298 N -2.25 -0.60 0.30 2.29 0.15 -0.78 -4.86 113.70 107.95 1s4u s SER 298 Ca 0.13 0.75 -0.29 0.00 0.70 0.00 0.00 55.95 57.25 1s4u s SER 298 Cb -0.09 1.68 -0.10 0.00 -1.71 0.00 0.00 66.02 65.81 1s4u s SER 298 CO 0.06 -0.26 1.14 -0.36 1.20 0.00 0.00 173.24 175.02 1s4u s PHE 299 N 2.71 3.42 1.20 3.44 0.40 -1.26 -1.14 117.98 126.76 1s4u s PHE 299 Ca 0.11 1.63 -0.19 0.00 -0.60 0.00 0.00 56.93 57.88 1s4u s PHE 299 Cb -0.14 -3.36 0.29 0.00 0.51 0.00 0.00 43.02 40.31 1s4u s PHE 299 CO -0.18 -0.87 1.10 0.54 0.70 0.00 0.00 175.22 176.51 1s4u s ASN 300 N -0.85 0.90 0.15 1.36 4.22 -0.54 -4.66 114.94 115.52 1s4u s ASN 300 Ca 0.47 0.68 -0.12 0.00 -2.14 0.00 0.00 52.86 51.75 1s4u s ASN 300 Cb -0.33 -0.96 0.00 0.00 1.28 0.00 0.00 41.25 41.25 1s4u s ASN 300 CO 0.43 -4.14 1.57 -0.78 -2.04 0.00 0.00 177.10 172.14 1s4u h ASP 301 N -2.59 0.89 0.89 3.54 1.82 -1.93 -2.68 116.42 116.36 1s4u h ASP 301 Ca -0.46 -0.35 -0.02 0.00 -0.39 0.00 0.00 57.03 55.81 1s4u h ASP 301 Cb 1.30 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 41.06 1s4u h ASP 301 CO 0.35 1.03 -0.12 0.77 -1.61 0.00 0.00 179.24 179.67 1s4u h SER 302 N 0.74 0.00 0.00 2.28 4.64 -1.94 -3.45 113.55 115.82 1s4u h SER 302 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1s4u h SER 302 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1s4u h SER 302 CO 0.04 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1s4u n GLY 303 N -0.01 0.62 0.10 -0.77 0.00 -1.01 -4.81 105.19 99.30 1s4u n GLY 303 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1s4u n GLY 303 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s4u h GLU 304 N 1.63 0.17 -6.53 1.61 5.08 -1.90 -3.45 114.58 111.18 1s4u h GLU 304 Ca 0.00 -0.29 -0.67 0.00 -1.00 0.00 0.00 59.36 57.40 1s4u h GLU 304 Cb 0.00 0.11 -0.17 0.00 0.50 0.00 0.00 28.75 29.18 1s4u h GLU 304 CO 0.00 1.01 -0.75 0.99 -1.00 0.00 0.00 179.01 179.25 1s4u s THR 305 N -2.63 3.25 -0.07 1.13 2.01 -1.26 -0.93 115.64 117.14 1s4u s THR 305 Ca -0.07 -1.20 -0.01 0.00 0.31 0.00 0.00 61.69 60.73 1s4u s THR 305 Cb 0.08 -2.47 0.03 0.00 0.01 0.00 0.00 72.50 70.14 1s4u s THR 305 CO 0.84 0.20 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.73 1s4u s LEU 306 N -1.93 0.87 -0.21 4.42 1.98 -0.41 -1.47 118.68 121.93 1s4u s LEU 306 Ca 0.19 -0.13 -0.10 0.00 -2.89 0.00 0.00 54.13 51.20 1s4u s LEU 306 Cb -0.11 -0.50 -0.05 0.00 0.66 0.00 0.00 46.19 46.19 1s4u s LEU 306 CO 0.11 -0.15 0.15 0.00 -1.89 0.00 0.00 176.35 174.57 1s4u s SER 308 N 0.58 5.73 -0.22 0.00 1.04 0.90 -1.87 113.70 119.85 1s4u s SER 308 Ca 0.08 0.09 -0.10 0.00 0.48 0.00 0.00 55.95 56.50 1s4u s SER 308 Cb -0.12 -1.99 -0.05 0.00 0.10 0.00 0.00 66.02 63.96 1s4u s SER 308 CO 0.00 0.16 0.14 0.00 0.98 0.00 0.00 173.24 174.52 1s4u s ALA 309 N 0.47 3.62 0.08 5.32 0.00 -0.34 -1.55 121.76 129.37 1s4u s ALA 309 Ca 0.04 -0.82 0.10 0.00 0.00 0.00 0.00 51.96 51.28 1s4u s ALA 309 Cb -0.12 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 1s4u s ALA 309 CO 0.00 -0.06 -0.25 0.20 0.00 0.00 0.00 175.76 175.66 1s4u s GLY 310 N 0.79 1.51 0.44 0.00 0.00 -0.26 -0.36 107.32 109.45 1s4u s GLY 310 Ca 0.07 -1.33 0.29 0.00 0.00 0.00 0.00 44.72 43.75 1s4u s GLY 310 CO 0.02 -1.26 1.86 -0.25 0.00 0.00 0.00 173.10 173.47 1s4u h TRP 311 N 4.35 0.00 0.00 1.90 -0.00 -1.17 -1.21 115.95 119.82 1s4u h TRP 311 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.41 1s4u h TRP 311 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.32 1s4u h TRP 311 CO 0.54 0.00 0.00 -0.40 -0.00 0.00 0.00 178.44 178.58 1s4u n ASP 312 N -2.82 0.00 -0.35 2.65 5.68 -1.26 -4.00 116.55 116.44 1s4u n ASP 312 Ca 0.02 -0.73 -0.04 0.00 -0.50 0.00 0.00 54.79 53.54 1s4u n ASP 312 Cb 0.32 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.29 1s4u n ASP 312 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s4u n GLY 313 N 0.03 0.39 3.34 6.12 0.00 -0.56 -4.86 105.19 109.65 1s4u n GLY 313 Ca 0.07 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 1s4u n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4u s LYS 314 N -3.46 1.95 -0.47 1.61 1.02 -1.23 -1.46 119.74 117.69 1s4u s LYS 314 Ca 0.00 -1.03 -0.10 0.00 0.02 0.00 0.00 55.97 54.87 1s4u s LYS 314 Cb 0.00 -2.03 0.12 0.00 -0.52 0.00 0.00 37.83 35.40 1s4u s LYS 314 CO 0.00 0.53 0.35 -0.51 -0.92 0.00 0.00 175.35 174.80 1s4u s LEU 315 N -1.01 5.69 -0.14 3.17 1.43 -0.47 -1.10 118.68 126.24 1s4u s LEU 315 Ca 0.11 -1.87 -0.08 0.00 -1.03 0.00 0.00 54.13 51.26 1s4u s LEU 315 Cb -0.10 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1s4u s LEU 315 CO 0.01 -0.69 0.15 -0.13 0.23 0.00 0.00 176.35 175.92 1s4u s ARG 316 N 1.38 3.68 -0.09 1.70 0.52 -0.60 -1.28 118.95 124.27 1s4u s ARG 316 Ca 0.05 -0.12 -0.02 0.00 -0.52 0.00 0.00 55.73 55.12 1s4u s ARG 316 Cb -0.26 -3.26 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 1s4u s ARG 316 CO -0.00 0.63 -0.02 -0.06 0.02 0.00 0.00 175.30 175.88 1s4u s PHE 317 N -0.62 3.10 -0.08 -0.53 0.08 -0.46 -0.07 117.98 119.40 1s4u s PHE 317 Ca 0.14 0.09 0.02 0.00 0.12 0.00 0.00 56.93 57.30 1s4u s PHE 317 Cb -0.12 -1.80 0.01 0.00 -0.57 0.00 0.00 43.02 40.54 1s4u s PHE 317 CO 0.03 0.37 -0.14 -1.58 -0.10 0.00 0.00 175.22 173.79 1s4u s TRP 318 N -0.67 1.72 -0.11 0.36 0.52 0.66 -1.54 118.94 119.89 1s4u s TRP 318 Ca 0.11 -0.71 -0.29 0.00 0.02 0.00 0.00 56.10 55.22 1s4u s TRP 318 Cb -0.12 -1.25 -0.03 0.00 -1.15 0.00 0.00 33.47 30.93 1s4u s TRP 318 CO 0.02 -0.36 1.40 0.34 0.02 0.00 0.00 176.95 178.37 1s4u s ASP 319 N 0.78 6.85 0.06 2.95 2.15 -0.10 -1.29 116.67 128.07 1s4u s ASP 319 Ca -0.12 1.92 -0.17 0.00 0.43 0.00 0.00 52.55 54.60 1s4u s ASP 319 Cb -0.16 -2.54 -0.13 0.00 -0.30 0.00 0.00 42.92 39.80 1s4u s ASP 319 CO 0.02 -0.80 1.34 0.58 -0.17 0.00 0.00 175.17 176.14 1s4u h VAL 320 N 5.45 1.34 -0.41 1.11 2.07 -1.34 -0.62 116.25 123.85 1s4u h VAL 320 Ca -0.32 -1.52 -0.07 0.00 0.82 0.00 0.00 66.70 65.62 1s4u h VAL 320 Cb 1.14 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1s4u h VAL 320 CO 0.96 0.47 -0.00 0.11 0.02 0.00 0.00 177.57 179.12 1s4u h LYS 321 N 0.21 0.72 -0.01 1.57 6.56 -1.91 -2.88 116.57 120.84 1s4u h LYS 321 Ca 0.02 -0.23 0.00 0.00 -1.06 0.00 0.00 60.65 59.38 1s4u h LYS 321 Cb 0.88 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.48 1s4u h LYS 321 CO 0.07 0.81 -0.30 0.25 -2.06 0.00 0.00 179.45 178.22 1s4u n THR 322 N -4.43 0.00 -2.45 -0.16 -2.24 -1.24 -4.95 114.28 98.80 1s4u n THR 322 Ca -0.01 -0.12 -0.19 0.00 -2.27 0.00 0.00 64.05 61.46 1s4u n THR 322 Cb 0.29 0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 68.96 1s4u n THR 322 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1s4u n LYS 323 N -0.69 -2.00 -4.78 -0.78 5.02 -0.28 -4.97 118.16 109.67 1s4u n LYS 323 Ca 0.11 0.89 -0.33 0.00 -2.02 0.00 0.00 58.31 56.97 1s4u n LYS 323 Cb 0.35 -5.56 -0.14 0.00 -0.02 0.00 0.00 35.03 29.67 1s4u n LYS 323 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1s4u s GLU 324 N -5.09 3.09 0.21 1.97 2.12 -0.93 -4.63 118.70 115.45 1s4u s GLU 324 Ca 0.02 -0.67 -0.31 0.00 0.36 0.00 0.00 54.97 54.37 1s4u s GLU 324 Cb -0.01 -2.57 -0.11 0.00 0.26 0.00 0.00 34.13 31.71 1s4u s GLU 324 CO 0.02 0.37 1.57 0.50 -0.54 0.00 0.00 175.26 177.19 1s4u s ARG 325 N -0.06 4.20 -0.19 4.30 3.52 -1.26 -0.92 118.95 128.54 1s4u s ARG 325 Ca -0.02 2.43 -0.05 0.00 -0.13 0.00 0.00 55.73 57.95 1s4u s ARG 325 Cb -0.14 -3.11 -0.10 0.00 -1.56 0.00 0.00 34.95 30.04 1s4u s ARG 325 CO 0.04 -0.59 -0.21 1.51 -0.81 0.00 0.00 175.30 175.23 1s4u n ILE 326 N 3.32 1.06 -3.55 4.11 3.06 -0.59 -4.90 119.36 121.86 1s4u n ILE 326 Ca 0.12 -0.33 -0.11 0.00 -2.50 0.00 0.00 62.75 59.93 1s4u n ILE 326 Cb 0.38 -1.49 -0.04 0.00 0.54 0.00 0.00 39.64 39.03 1s4u n ILE 326 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 1s4u s THR 327 N -2.36 0.04 -0.02 9.51 2.01 -1.24 -4.84 115.64 118.75 1s4u s THR 327 Ca -0.26 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.40 1s4u s THR 327 Cb 0.09 -1.10 0.00 0.00 0.01 0.00 0.00 72.50 71.50 1s4u s THR 327 CO 0.38 -0.20 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.14 1s4u s THR 328 N -3.77 0.66 -0.22 -0.82 2.01 -1.26 -1.35 115.64 110.89 1s4u s THR 328 Ca 0.02 -0.31 -0.04 0.00 0.31 0.00 0.00 61.69 61.67 1s4u s THR 328 Cb 0.01 -0.59 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 1s4u s THR 328 CO -0.12 0.21 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.22 1s4u s LEU 329 N 0.12 2.94 -0.24 4.42 1.43 -0.40 -5.00 118.68 121.95 1s4u s LEU 329 Ca -0.02 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.55 1s4u s LEU 329 Cb -0.07 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1s4u s LEU 329 CO 0.00 -0.01 0.45 0.20 0.23 0.00 0.00 176.35 177.22 1s4u s ASN 330 N 1.43 6.40 -0.01 2.29 0.01 -1.26 -1.37 114.94 122.42 1s4u s ASN 330 Ca 0.05 0.47 -0.25 0.00 -0.71 0.00 0.00 52.86 52.43 1s4u s ASN 330 Cb -0.14 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 1s4u s ASN 330 CO -0.02 -0.20 0.75 -0.32 -1.51 0.00 0.00 177.10 175.79 1s4u s MET 331 N 1.96 4.47 0.03 -0.60 1.75 -0.54 -5.03 119.30 121.33 1s4u s MET 331 Ca 0.19 1.00 0.05 0.00 -1.25 0.00 0.00 55.69 55.68 1s4u s MET 331 Cb -0.15 -3.41 -0.02 0.00 2.84 0.00 0.00 34.83 34.09 1s4u s MET 331 CO 0.09 0.15 -0.14 -1.01 -0.65 0.00 0.00 175.02 173.47 1s4u s HIS 332 N 0.43 1.22 0.46 4.11 3.76 -1.26 -3.88 115.29 120.14 1s4u s HIS 332 Ca 0.39 -0.32 0.11 0.00 -0.15 0.00 0.00 55.06 55.09 1s4u s HIS 332 Cb -0.19 -0.74 1.05 0.00 1.11 0.00 0.00 32.58 33.81 1s4u s HIS 332 CO 0.21 0.02 2.10 0.00 -0.85 0.00 0.00 174.74 176.22 1s4u n ASP 334 N -4.50 0.00 0.23 0.00 5.68 -1.26 -3.42 116.55 113.28 1s4u n ASP 334 Ca 0.01 -1.41 0.16 0.00 -0.50 0.00 0.00 54.79 53.04 1s4u n ASP 334 Cb 0.09 0.00 0.69 0.00 -1.14 0.00 0.00 41.12 40.76 1s4u n ASP 334 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1s4u h ASP 335 N 0.00 0.00 -2.85 -1.12 3.32 -1.81 -3.45 116.42 110.50 1s4u h ASP 335 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1s4u h ASP 335 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1s4u h ASP 335 CO 0.00 0.00 0.88 -0.63 -1.72 0.00 0.00 179.24 177.77 1s4u s ILE 336 N -3.62 3.62 0.20 0.35 -1.09 -1.22 -4.90 121.20 114.55 1s4u s ILE 336 Ca 0.01 0.99 -0.11 0.00 -2.23 0.00 0.00 60.65 59.32 1s4u s ILE 336 Cb 0.09 -3.64 0.13 0.00 -1.58 0.00 0.00 42.46 37.46 1s4u s ILE 336 CO 0.46 -0.01 1.82 -0.33 -1.23 0.00 0.00 174.94 175.65 1s4u h GLU 337 N 8.06 0.71 -6.04 2.79 5.08 -1.88 -3.34 114.58 119.97 1s4u h GLU 337 Ca -0.38 -0.04 -0.61 0.00 -1.00 0.00 0.00 59.36 57.33 1s4u h GLU 337 Cb 1.18 -0.16 -0.11 0.00 0.50 0.00 0.00 28.75 30.16 1s4u h GLU 337 CO 0.91 0.47 0.55 0.42 -1.00 0.00 0.00 179.01 180.37 1s4u s ILE 338 N -6.11 4.47 0.52 3.13 1.01 -1.26 -4.90 121.20 118.05 1s4u s ILE 338 Ca -0.13 0.58 0.16 0.00 0.00 0.00 0.00 60.65 61.27 1s4u s ILE 338 Cb 0.15 -4.45 0.27 0.00 0.01 0.00 0.00 42.46 38.44 1s4u s ILE 338 CO 0.76 -0.90 2.15 -0.33 0.00 0.00 0.00 174.94 176.62 1s4u h GLU 339 N 9.13 0.00 -0.22 2.79 5.08 -1.99 -2.69 114.58 126.69 1s4u h GLU 339 Ca -0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1s4u h GLU 339 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1s4u h GLU 339 CO 1.04 0.00 0.12 0.93 -1.00 0.00 0.00 179.01 180.10 1s4u h GLU 340 N 0.00 0.29 -0.53 2.33 4.39 -1.91 -2.59 114.58 116.55 1s4u h GLU 340 Ca -0.00 -0.02 -0.35 0.00 0.34 0.00 0.00 59.36 59.33 1s4u h GLU 340 Cb 0.01 -0.06 -0.22 0.00 -0.10 0.00 0.00 28.75 28.37 1s4u h GLU 340 CO 0.00 0.22 -0.22 -0.40 -1.16 0.00 0.00 179.01 177.45 1s4u n ASP 341 N -4.48 3.83 -4.71 1.42 5.68 -1.01 -4.95 116.55 112.33 1s4u n ASP 341 Ca 0.00 -3.79 -0.42 0.00 -0.50 0.00 0.00 54.79 50.08 1s4u n ASP 341 Cb 0.09 -0.58 -0.03 0.00 -1.14 0.00 0.00 41.12 39.46 1s4u n ASP 341 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1s4u s ILE 342 N -3.88 3.76 -0.67 2.12 1.01 -0.98 -3.51 121.20 119.06 1s4u s ILE 342 Ca 0.49 1.23 -0.06 0.00 0.00 0.00 0.00 60.65 62.31 1s4u s ILE 342 Cb 0.42 -3.79 0.17 0.00 0.01 0.00 0.00 42.46 39.27 1s4u s ILE 342 CO 0.00 0.07 0.52 -0.22 0.00 0.00 0.00 174.94 175.31 1s4u s LEU 343 N 1.38 5.62 0.43 2.97 2.96 -1.26 -4.93 118.68 125.84 1s4u s LEU 343 Ca 0.61 -2.78 0.23 0.00 -0.22 0.00 0.00 54.13 51.97 1s4u s LEU 343 Cb -0.32 -1.95 0.39 0.00 0.50 0.00 0.00 46.19 44.82 1s4u s LEU 343 CO 0.29 -0.43 1.62 0.00 -1.32 0.00 0.00 176.35 176.50 1s4u h ALA 344 N 7.26 0.95 -3.55 5.97 0.00 -1.91 -3.43 119.26 124.55 1s4u h ALA 344 Ca 0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 1s4u h ALA 344 Cb 0.98 -0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.50 1s4u h ALA 344 CO 0.73 0.10 -0.74 0.08 0.00 0.00 0.00 179.25 179.41 1s4u s VAL 345 N -3.22 0.45 0.00 0.00 1.01 -1.26 -0.73 120.40 116.64 1s4u s VAL 345 Ca 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1s4u s VAL 345 Cb 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.99 1s4u s VAL 345 CO 0.67 -0.12 0.00 -0.90 0.00 0.00 0.00 175.10 174.75 1s4u n ASP 346 N 2.27 0.00 0.18 3.32 5.68 -0.51 -4.89 116.55 122.60 1s4u n ASP 346 Ca -0.17 -0.30 0.03 0.00 -0.50 0.00 0.00 54.79 53.85 1s4u n ASP 346 Cb 0.57 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.90 1s4u n ASP 346 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1s4u h GLU 347 N 0.00 0.00 -0.59 0.11 5.08 -2.00 -3.13 114.58 114.05 1s4u h GLU 347 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s4u h GLU 347 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1s4u h GLU 347 CO 0.00 0.40 0.00 0.72 -1.00 0.00 0.00 179.01 179.13 1s4u n HIS 348 N -3.86 0.81 -0.17 4.33 8.25 -1.26 -4.95 115.22 118.37 1s4u n HIS 348 Ca -0.01 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.94 1s4u n HIS 348 Cb 0.46 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1s4u n HIS 348 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s4u n GLY 349 N 1.19 1.12 3.77 -1.41 0.00 -1.18 -5.05 105.19 103.63 1s4u n GLY 349 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1s4u n GLY 349 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s4u s ASP 350 N -2.94 7.04 0.27 1.61 1.01 -1.26 -4.74 116.67 117.65 1s4u s ASP 350 Ca 0.00 2.16 -0.30 0.00 0.71 0.00 0.00 52.55 55.12 1s4u s ASP 350 Cb 0.00 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 41.22 1s4u s ASP 350 CO 0.00 -0.30 1.43 -0.55 0.21 0.00 0.00 175.17 175.96 1s4u s SER 351 N -1.19 6.65 -0.38 0.27 0.15 -1.26 -1.42 113.70 116.51 1s4u s SER 351 Ca 0.50 2.69 0.06 0.00 0.70 0.00 0.00 55.95 59.91 1s4u s SER 351 Cb -0.27 -2.63 0.60 0.00 -1.71 0.00 0.00 66.02 62.00 1s4u s SER 351 CO 0.35 -0.69 1.71 0.18 1.20 0.00 0.00 173.24 175.99 1s4u n LEU 352 N 2.06 5.57 -0.28 3.45 4.77 0.09 -4.73 117.00 127.92 1s4u n LEU 352 Ca 0.06 -3.69 0.14 0.00 -0.03 0.00 0.00 56.01 52.48 1s4u n LEU 352 Cb 0.40 -0.75 0.40 0.00 -2.33 0.00 0.00 43.42 41.14 1s4u n LEU 352 CO 0.61 1.15 1.22 0.00 -1.33 0.00 0.00 177.39 179.03 1s4u h ALA 353 N 1.01 1.89 -2.62 -1.18 0.00 -1.90 -3.19 119.26 113.26 1s4u h ALA 353 Ca 0.45 0.03 -0.60 0.00 0.00 0.00 0.00 54.91 54.79 1s4u h ALA 353 Cb 2.33 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 19.62 1s4u h ALA 353 CO 0.78 -0.17 -0.79 0.39 0.00 0.00 0.00 179.25 179.47 1s4u n GLU 354 N -4.59 1.10 -2.32 0.00 1.02 -1.26 -2.81 120.64 111.78 1s4u n GLU 354 Ca 0.19 -3.85 -0.42 0.00 -0.02 0.00 0.00 57.16 53.07 1s4u n GLU 354 Cb 0.54 -1.94 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 1s4u n GLU 354 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1s4u s PRO 355 N -0.87 4.42 0.72 3.49 0.05 -1.21 -4.32 135.00 137.27 1s4u s PRO 355 Ca 0.30 1.91 -0.16 0.00 0.05 0.00 0.00 61.00 63.10 1s4u s PRO 355 Cb 0.02 -3.28 0.03 0.00 0.05 0.00 0.00 34.50 31.33 1s4u s PRO 355 CO -0.17 -0.25 1.23 0.20 0.05 0.00 0.00 177.00 178.06 1s4u s GLY 356 N 0.73 2.46 -0.30 0.56 0.00 -1.26 -4.07 107.32 105.45 1s4u s GLY 356 Ca 0.58 0.97 -0.09 0.00 0.00 0.00 0.00 44.72 46.19 1s4u s GLY 356 CO 0.32 1.39 0.13 0.14 0.00 0.00 0.00 173.10 175.08 1s4u s VAL 357 N -1.84 4.41 0.09 1.40 1.01 -0.60 -0.38 120.40 124.48 1s4u s VAL 357 Ca 0.77 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 1s4u s VAL 357 Cb -0.31 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 1s4u s VAL 357 CO 0.44 0.08 1.42 -0.26 0.00 0.00 0.00 175.10 176.78 1s4u h PHE 358 N 8.31 0.75 -3.15 5.22 0.04 -1.38 -3.39 116.94 123.35 1s4u h PHE 358 Ca -0.32 -0.22 -0.09 0.00 2.80 0.00 0.00 57.97 60.14 1s4u h PHE 358 Cb 1.14 -0.16 -0.17 0.00 2.20 0.00 0.00 35.95 38.96 1s4u h PHE 358 CO 0.63 0.93 -0.20 0.34 -0.60 0.00 0.00 178.31 179.41 1s4u s ASP 359 N -6.43 -0.20 -0.02 2.17 -1.08 -1.21 -4.34 116.67 105.57 1s4u s ASP 359 Ca -0.13 -0.07 -0.07 0.00 -0.52 0.00 0.00 52.55 51.76 1s4u s ASP 359 Cb 0.08 0.38 0.01 0.00 -1.46 0.00 0.00 42.92 41.92 1s4u s ASP 359 CO 0.81 -0.61 0.15 0.54 0.52 0.00 0.00 175.17 176.59 1s4u s VAL 360 N -2.32 0.06 -0.12 1.11 0.11 -1.26 -1.95 120.40 116.03 1s4u s VAL 360 Ca -0.06 -0.51 -0.06 0.00 -2.93 0.00 0.00 61.98 58.42 1s4u s VAL 360 Cb -0.01 -0.39 0.05 0.00 -1.53 0.00 0.00 36.38 34.50 1s4u s VAL 360 CO -0.02 -0.28 0.28 -0.75 -3.33 0.00 0.00 175.10 171.00 1s4u s LYS 361 N -1.00 0.22 0.24 1.54 2.20 0.05 -4.59 119.74 118.41 1s4u s LYS 361 Ca -0.11 0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 55.84 1s4u s LYS 361 Cb -0.06 -0.08 -0.09 0.00 -1.51 0.00 0.00 37.83 36.10 1s4u s LYS 361 CO 0.01 -0.19 1.19 -0.06 -0.36 0.00 0.00 175.35 175.94 1s4u s PHE 362 N 1.58 3.40 0.00 4.03 0.40 -1.26 -1.02 117.98 125.11 1s4u s PHE 362 Ca -0.07 1.50 0.01 0.00 -0.60 0.00 0.00 56.93 57.77 1s4u s PHE 362 Cb -0.11 -3.44 -0.04 0.00 0.51 0.00 0.00 43.02 39.95 1s4u s PHE 362 CO -0.09 -1.14 0.04 -0.51 0.70 0.00 0.00 175.22 174.22 1s4u s LEU 363 N -0.92 3.70 0.78 -0.37 1.02 -0.60 -4.94 118.68 117.34 1s4u s LEU 363 Ca 0.49 0.06 -0.13 0.00 0.02 0.00 0.00 54.13 54.58 1s4u s LEU 363 Cb -0.34 -2.15 0.06 0.00 0.02 0.00 0.00 46.19 43.78 1s4u s LEU 363 CO 0.41 0.27 1.15 -0.54 0.02 0.00 0.00 176.35 177.67 1s4u s LYS 364 N -1.69 1.97 0.00 1.70 1.02 -1.26 -2.34 119.74 119.14 1s4u s LYS 364 Ca 0.22 1.54 0.00 0.00 0.02 0.00 0.00 55.97 57.74 1s4u s LYS 364 Cb -0.12 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1s4u s LYS 364 CO 0.12 -1.92 0.04 1.63 -0.92 0.00 0.00 175.35 174.31 1s4u n LYS 365 N -3.22 0.00 -0.36 1.68 5.02 -1.26 -2.38 118.16 117.65 1s4u n LYS 365 Ca 0.12 0.04 0.07 0.00 -2.02 0.00 0.00 58.31 56.51 1s4u n LYS 365 Cb 0.51 -0.06 0.23 0.00 -0.02 0.00 0.00 35.03 35.69 1s4u n LYS 365 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s4u n GLY 366 N -0.81 1.66 0.07 0.72 0.00 -1.26 -4.45 105.19 101.11 1s4u n GLY 366 Ca 0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 1s4u n GLY 366 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1s4u h TRP 367 N 2.76 -0.04 -3.98 1.61 4.06 -1.77 -3.45 115.95 115.15 1s4u h TRP 367 Ca 0.00 -0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.47 1s4u h TRP 367 Cb 0.91 0.01 0.07 0.00 -1.00 0.00 0.00 29.16 29.15 1s4u h TRP 367 CO 0.45 0.48 0.27 1.03 -3.56 0.00 0.00 178.44 177.11 1s4u s ARG 368 N -4.06 2.81 -0.05 0.49 1.81 -1.26 -4.43 118.95 114.27 1s4u s ARG 368 Ca -0.16 0.14 -0.04 0.00 -1.72 0.00 0.00 55.73 53.95 1s4u s ARG 368 Cb 0.01 -2.17 -0.17 0.00 -0.45 0.00 0.00 34.95 32.18 1s4u s ARG 368 CO 0.65 -0.89 3.15 -1.13 -0.68 0.00 0.00 175.30 176.41 1s4u n SER 369 N -2.78 5.40 0.00 0.23 3.41 -1.21 -5.00 113.62 113.67 1s4u n SER 369 Ca 0.06 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 1s4u n SER 369 Cb 0.58 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 1s4u n SER 369 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1s4u n ASN 376 N 2.08 0.00 -4.73 4.04 2.04 -1.26 -5.09 115.26 112.35 1s4u n ASN 376 Ca 0.34 -1.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.06 1s4u n ASN 376 Cb 0.79 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 38.01 1s4u n ASN 376 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1s4u s GLU 377 N 0.00 4.17 0.61 -3.83 2.02 -1.26 -4.54 118.70 115.87 1s4u s GLU 377 Ca 0.00 2.49 0.06 0.00 0.02 0.00 0.00 54.97 57.54 1s4u s GLU 377 Cb 0.00 -3.09 0.09 0.00 0.10 0.00 0.00 34.13 31.23 1s4u s GLU 377 CO 0.00 -0.65 0.85 -1.12 0.02 0.00 0.00 175.26 174.36 1s4u s SER 378 N 0.94 4.88 0.00 -0.19 0.01 -0.99 -4.77 113.70 113.59 1s4u s SER 378 Ca 0.69 -0.62 -0.20 0.00 1.31 0.00 0.00 55.95 57.14 1s4u s SER 378 Cb -0.47 0.08 0.04 0.00 0.21 0.00 0.00 66.02 65.89 1s4u s SER 378 CO 0.36 -1.48 0.43 -0.22 0.41 0.00 0.00 173.24 172.74 1s4u s LEU 379 N -4.82 0.34 -0.09 2.44 2.96 -0.90 -1.56 118.68 117.05 1s4u s LEU 379 Ca 0.63 0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 54.64 1s4u s LEU 379 Cb -0.06 1.74 0.03 0.00 0.50 0.00 0.00 46.19 48.40 1s4u s LEU 379 CO 0.40 -0.57 0.25 0.00 -1.32 0.00 0.00 176.35 175.11 1s4u s VAL 382 N -2.98 1.17 0.24 0.00 -7.23 -0.82 -0.87 120.40 109.91 1s4u s VAL 382 Ca 0.03 -0.58 0.04 0.00 -1.81 0.00 0.00 61.98 59.66 1s4u s VAL 382 Cb 0.01 -1.01 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 1s4u s VAL 382 CO -0.05 0.34 -0.01 0.00 -0.31 0.00 0.00 175.10 175.07 1s4u h LEU 384 N 2.42 0.00 -0.90 0.00 5.85 -0.96 -0.80 115.31 120.92 1s4u h LEU 384 Ca -0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1s4u h LEU 384 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1s4u h LEU 384 CO 0.65 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.85 1s4u n ASP 385 N -3.43 0.88 -3.75 1.25 5.75 -1.26 -4.85 116.55 111.13 1s4u n ASP 385 Ca -0.01 -1.95 -0.24 0.00 -0.01 0.00 0.00 54.79 52.58 1s4u n ASP 385 Cb 0.23 -0.44 0.04 0.00 -1.03 0.00 0.00 41.12 39.91 1s4u n ASP 385 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1s4u n ARG 386 N -0.04 -5.34 -4.37 0.11 1.74 -0.31 -4.36 116.66 104.09 1s4u n ARG 386 Ca 0.00 0.63 -0.23 0.00 -0.77 0.00 0.00 57.85 57.48 1s4u n ARG 386 Cb 0.22 -5.34 -0.11 0.00 -1.02 0.00 0.00 32.46 26.21 1s4u n ARG 386 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1s4u s SER 387 N -3.99 2.97 -0.05 0.55 1.04 -1.19 -1.19 113.70 111.84 1s4u s SER 387 Ca 0.24 -0.88 0.05 0.00 0.48 0.00 0.00 55.95 55.84 1s4u s SER 387 Cb -0.12 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 65.80 1s4u s SER 387 CO 0.81 0.02 -0.21 -0.51 0.98 0.00 0.00 173.24 174.32 1s4u s ILE 388 N -1.98 1.73 -0.04 -1.02 2.07 -0.69 -1.69 121.20 119.58 1s4u s ILE 388 Ca 0.18 -0.89 0.00 0.00 -1.41 0.00 0.00 60.65 58.54 1s4u s ILE 388 Cb -0.06 -1.47 0.02 0.00 0.13 0.00 0.00 42.46 41.08 1s4u s ILE 388 CO 0.08 0.49 -0.02 -0.13 -1.91 0.00 0.00 174.94 173.45 1s4u s ARG 389 N -0.10 0.57 -0.00 3.50 0.52 -0.05 -1.31 118.95 122.08 1s4u s ARG 389 Ca -0.03 0.01 -0.00 0.00 -0.52 0.00 0.00 55.73 55.18 1s4u s ARG 389 Cb -0.12 -0.71 -0.04 0.00 0.52 0.00 0.00 34.95 34.60 1s4u s ARG 389 CO 0.03 -0.14 0.08 -1.58 0.02 0.00 0.00 175.30 173.71 1s4u s TRP 390 N 1.13 3.29 0.05 -0.53 0.51 0.03 -1.28 118.94 122.14 1s4u s TRP 390 Ca -0.08 0.21 0.01 0.00 -2.12 0.00 0.00 56.10 54.12 1s4u s TRP 390 Cb -0.14 -1.74 -0.03 0.00 -0.81 0.00 0.00 33.47 30.76 1s4u s TRP 390 CO -0.01 0.55 -0.06 -0.06 -0.51 0.00 0.00 176.95 176.86 1s4u s PHE 391 N -1.20 0.59 0.00 -1.98 0.40 -0.48 -2.29 117.98 113.01 1s4u s PHE 391 Ca 0.23 -0.64 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 1s4u s PHE 391 Cb -0.12 -0.37 0.00 0.00 0.51 0.00 0.00 43.02 43.04 1s4u s PHE 391 CO 0.14 -0.15 0.00 -2.13 0.70 0.00 0.00 175.22 173.78