#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4d s LEU 9 N 0.00 4.27 0.43 0.99 1.43 -1.26 -4.97 118.68 119.56 1s4d s LEU 9 Ca 0.00 1.52 -0.25 0.00 -1.03 0.00 0.00 54.13 54.37 1s4d s LEU 9 Cb 0.00 -3.85 -0.10 0.00 0.03 0.00 0.00 46.19 42.28 1s4d s LEU 9 CO 0.00 -0.06 1.20 -2.65 0.23 0.00 0.00 176.35 175.07 1s4d n PRO 10 N 0.40 1.74 -2.65 1.29 -0.02 -1.26 -4.93 135.00 129.57 1s4d n PRO 10 Ca 0.00 0.62 -0.36 0.00 -2.02 0.00 0.00 63.50 61.75 1s4d n PRO 10 Cb 0.51 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 1s4d n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s4d s ALA 11 N -1.23 3.11 -0.79 3.55 0.00 -1.26 -4.96 121.76 120.19 1s4d s ALA 11 Ca 0.62 0.60 -0.24 0.00 0.00 0.00 0.00 51.96 52.94 1s4d s ALA 11 Cb -0.51 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 19.43 1s4d s ALA 11 CO 0.57 -0.05 1.22 -1.17 0.00 0.00 0.00 175.76 176.33 1s4d s LEU 12 N -2.56 3.69 0.28 0.00 0.20 -1.26 -5.00 118.68 114.03 1s4d s LEU 12 Ca 0.56 -0.90 -0.29 0.00 0.69 0.00 0.00 54.13 54.19 1s4d s LEU 12 Cb -0.19 -2.51 -0.09 0.00 -0.43 0.00 0.00 46.19 42.96 1s4d s LEU 12 CO 0.24 -1.61 1.08 -1.61 -0.29 0.00 0.00 176.35 174.16 1s4d s GLU 13 N 4.93 4.64 0.23 1.98 2.02 -1.26 -4.86 118.70 126.37 1s4d s GLU 13 Ca 0.34 1.76 -0.28 0.00 0.02 0.00 0.00 54.97 56.80 1s4d s GLU 13 Cb -0.09 -3.16 -0.16 0.00 0.10 0.00 0.00 34.13 30.82 1s4d s GLU 13 CO 0.07 0.22 0.69 0.36 0.02 0.00 0.00 175.26 176.62 1s4d n LYS 14 N 1.14 0.43 -1.57 1.61 -0.00 -1.26 -2.14 118.16 116.38 1s4d n LYS 14 Ca -0.01 0.15 -0.14 0.00 -0.00 0.00 0.00 58.31 58.31 1s4d n LYS 14 Cb 0.45 -1.28 -0.05 0.00 -0.00 0.00 0.00 35.03 34.16 1s4d n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1s4d n GLY 15 N 1.75 1.14 3.49 2.58 0.00 -0.16 -4.96 105.19 109.04 1s4d n GLY 15 Ca 0.15 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 1s4d n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s4d s SER 16 N -2.76 2.91 -0.05 1.61 1.04 -0.91 -4.46 113.70 111.07 1s4d s SER 16 Ca 0.00 -1.31 0.03 0.00 0.48 0.00 0.00 55.95 55.14 1s4d s SER 16 Cb 0.00 -0.20 0.01 0.00 0.10 0.00 0.00 66.02 65.93 1s4d s SER 16 CO 0.00 -0.48 -0.13 -0.69 0.98 0.00 0.00 173.24 172.93 1s4d s VAL 17 N -3.04 1.15 -0.23 5.02 1.01 -1.07 -2.36 120.40 120.87 1s4d s VAL 17 Ca 0.34 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 1s4d s VAL 17 Cb 0.07 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1s4d s VAL 17 CO 0.15 0.35 0.09 0.26 0.00 0.00 0.00 175.10 175.95 1s4d s TRP 18 N 0.43 3.16 -0.46 5.22 0.52 -0.59 -1.77 118.94 125.44 1s4d s TRP 18 Ca -0.10 -0.17 -0.26 0.00 0.02 0.00 0.00 56.10 55.59 1s4d s TRP 18 Cb -0.13 -2.22 0.03 0.00 -1.15 0.00 0.00 33.47 30.00 1s4d s TRP 18 CO 0.03 -0.17 0.95 -0.51 0.02 0.00 0.00 176.95 177.27 1s4d s LEU 19 N 1.26 3.97 -0.17 2.99 1.43 0.03 -1.00 118.68 127.19 1s4d s LEU 19 Ca 0.05 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1s4d s LEU 19 Cb -0.14 -3.23 0.02 0.00 0.03 0.00 0.00 46.19 42.87 1s4d s LEU 19 CO 0.04 -1.07 -0.17 -0.69 0.23 0.00 0.00 176.35 174.69 1s4d s VAL 20 N 3.82 1.88 0.31 -1.59 1.01 -0.03 -0.85 120.40 124.94 1s4d s VAL 20 Ca 0.38 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 1s4d s VAL 20 Cb -0.10 -1.73 -0.11 0.00 0.00 0.00 0.00 36.38 34.44 1s4d s VAL 20 CO 0.27 0.48 1.48 -0.83 0.00 0.00 0.00 175.10 176.50 1s4d s GLY 21 N 1.36 2.52 0.00 4.51 0.00 -0.16 -1.61 107.32 113.94 1s4d s GLY 21 Ca 0.04 1.47 0.16 0.00 0.00 0.00 0.00 44.72 46.39 1s4d s GLY 21 CO -0.12 2.31 0.87 0.00 0.00 0.00 0.00 173.10 176.17 1s4d n ALA 22 N 1.55 3.05 -0.61 3.20 0.00 0.53 -4.69 120.51 123.53 1s4d n ALA 22 Ca 0.05 -0.55 0.06 0.00 0.00 0.00 0.00 53.44 53.00 1s4d n ALA 22 Cb 0.39 -0.56 -0.01 0.00 0.00 0.00 0.00 19.45 19.27 1s4d n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 23 N 1.11 -1.88 0.27 0.00 0.00 -0.64 -4.33 105.19 99.71 1s4d n GLY 23 Ca 0.07 -1.30 0.16 0.00 0.00 0.00 0.00 46.02 44.95 1s4d n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s4d h PRO 24 N 0.00 0.00 0.00 1.61 0.13 -1.86 -1.86 132.00 130.02 1s4d h PRO 24 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1s4d h PRO 24 Cb 0.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.52 1s4d h PRO 24 CO 0.00 0.05 0.00 0.41 -0.23 0.00 0.00 178.00 178.23 1s4d n GLY 25 N 0.05 -0.43 3.64 1.56 0.00 -1.26 -4.77 105.19 103.99 1s4d n GLY 25 Ca 0.00 0.32 -0.54 0.00 0.00 0.00 0.00 46.02 45.80 1s4d n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s4d n ASP 26 N 0.00 2.59 0.31 1.61 -0.08 -0.25 -4.46 116.55 116.26 1s4d n ASP 26 Ca 0.00 0.91 0.17 0.00 -1.51 0.00 0.00 54.79 54.36 1s4d n ASP 26 Cb 0.00 -1.22 0.98 0.00 2.34 0.00 0.00 41.12 43.22 1s4d n ASP 26 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1s4d h PRO 27 N 8.85 0.00 0.00 -0.67 0.13 -1.91 -1.00 132.00 137.39 1s4d h PRO 27 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1s4d h PRO 27 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1s4d h PRO 27 CO 0.97 0.02 0.00 0.41 -0.23 0.00 0.00 178.00 179.17 1s4d n GLY 28 N -1.13 -0.87 0.33 1.56 0.00 -1.26 -1.98 105.19 101.84 1s4d n GLY 28 Ca -0.03 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1s4d n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s4d n LEU 29 N -1.70 1.38 -4.72 0.99 4.32 -0.38 -4.87 117.00 112.02 1s4d n LEU 29 Ca 0.02 -0.44 -0.43 0.00 -0.02 0.00 0.00 56.01 55.14 1s4d n LEU 29 Cb 0.11 -0.08 -0.02 0.00 -1.62 0.00 0.00 43.42 41.82 1s4d n LEU 29 CO 0.10 0.26 1.16 0.18 -1.22 0.00 0.00 177.39 177.87 1s4d n LEU 30 N -0.44 3.98 -4.81 2.23 4.32 -0.84 -4.56 117.00 116.88 1s4d n LEU 30 Ca 0.11 1.15 -0.32 0.00 -0.02 0.00 0.00 56.01 56.93 1s4d n LEU 30 Cb 0.39 -1.54 0.03 0.00 -1.62 0.00 0.00 43.42 40.68 1s4d n LEU 30 CO 0.27 -0.06 0.71 0.42 -1.22 0.00 0.00 177.39 177.51 1s4d s THR 31 N -0.11 3.96 0.15 -5.08 -4.23 -1.26 -4.85 115.64 104.22 1s4d s THR 31 Ca 0.64 0.75 -0.19 0.00 -1.18 0.00 0.00 61.69 61.71 1s4d s THR 31 Cb -0.54 -3.40 0.05 0.00 1.34 0.00 0.00 72.50 69.95 1s4d s THR 31 CO 0.50 -0.72 1.66 -0.07 -0.54 0.00 0.00 174.62 175.45 1s4d h LEU 32 N -0.24 -0.45 -0.83 4.79 4.07 -1.98 0.13 115.31 120.80 1s4d h LEU 32 Ca -0.45 0.11 0.17 0.00 0.08 0.00 0.00 57.88 57.80 1s4d h LEU 32 Cb 1.21 0.25 -0.11 0.00 1.08 0.00 0.00 40.66 43.10 1s4d h LEU 32 CO 0.57 -0.17 0.37 0.45 -1.08 0.00 0.00 178.44 178.58 1s4d h HIS 33 N -0.09 0.62 0.18 1.13 3.86 -1.98 0.25 115.15 119.13 1s4d h HIS 33 Ca 0.15 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1s4d h HIS 33 Cb 0.32 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1s4d h HIS 33 CO -0.33 0.05 -0.09 0.00 0.86 0.00 0.00 177.93 178.42 1s4d h ALA 34 N 1.61 -0.24 -0.36 2.45 0.00 -1.19 0.77 119.26 122.31 1s4d h ALA 34 Ca 0.48 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.35 1s4d h ALA 34 Cb 0.80 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 1s4d h ALA 34 CO -0.45 -0.56 -0.14 0.00 0.00 0.00 0.00 179.25 178.11 1s4d h ALA 35 N 0.40 0.17 -0.28 0.00 0.00 -0.54 -1.22 119.26 117.78 1s4d h ALA 35 Ca -0.02 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1s4d h ALA 35 Cb 0.31 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1s4d h ALA 35 CO 0.04 -0.51 -0.21 -0.97 0.00 0.00 0.00 179.25 177.60 1s4d h ASN 36 N -0.06 -0.70 -0.40 0.00 -1.24 -0.16 -1.90 115.58 111.11 1s4d h ASN 36 Ca 0.18 0.14 -0.05 0.00 0.71 0.00 0.00 56.30 57.28 1s4d h ASN 36 Cb 0.34 0.34 -0.02 0.00 0.73 0.00 0.00 38.32 39.71 1s4d h ASN 36 CO -0.41 -0.25 0.10 0.00 -1.29 0.00 0.00 177.43 175.59 1s4d h ALA 37 N 0.92 1.30 -0.18 1.57 0.00 -0.53 -2.05 119.26 120.29 1s4d h ALA 37 Ca 0.15 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1s4d h ALA 37 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1s4d h ALA 37 CO -0.40 0.49 0.15 -0.07 0.00 0.00 0.00 179.25 179.42 1s4d h LEU 38 N 0.70 0.00 -0.02 0.00 -0.00 -0.41 -2.30 115.31 113.27 1s4d h LEU 38 Ca 0.16 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.95 1s4d h LEU 38 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 1s4d h LEU 38 CO -0.00 0.00 -0.39 0.03 -0.00 0.00 0.00 178.44 178.08 1s4d h ARG 39 N 0.00 0.00 0.00 1.13 3.08 -1.13 -3.34 114.38 114.12 1s4d h ARG 39 Ca 0.09 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 1s4d h ARG 39 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1s4d h ARG 39 CO -0.00 0.39 -1.84 1.04 -1.07 0.00 0.00 179.97 178.49 1s4d n GLN 40 N -3.20 1.27 -1.67 0.04 6.02 -0.91 -4.29 117.38 114.65 1s4d n GLN 40 Ca 0.02 -0.05 -0.46 0.00 -0.01 0.00 0.00 57.00 56.50 1s4d n GLN 40 Cb 0.68 -1.35 -0.04 0.00 1.02 0.00 0.00 30.24 30.55 1s4d n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s4d n ALA 41 N -2.32 1.22 -0.05 -1.58 0.00 -0.97 -4.86 120.51 111.97 1s4d n ALA 41 Ca -0.15 0.44 -0.16 0.00 0.00 0.00 0.00 53.44 53.57 1s4d n ALA 41 Cb 0.74 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.77 1s4d n ALA 41 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1s4d h ASP 42 N 6.06 0.87 -3.40 0.00 3.32 -1.47 -3.45 116.42 118.36 1s4d h ASP 42 Ca -0.45 -0.59 -0.39 0.00 0.02 0.00 0.00 57.03 55.61 1s4d h ASP 42 Cb 1.26 -0.25 -0.36 0.00 0.22 0.00 0.00 39.33 40.20 1s4d h ASP 42 CO 0.89 1.31 -0.76 0.54 -1.72 0.00 0.00 179.24 179.50 1s4d s VAL 43 N -3.89 0.32 -0.31 -1.35 0.11 -1.14 -1.61 120.40 112.52 1s4d s VAL 43 Ca -0.11 0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 58.95 1s4d s VAL 43 Cb 0.08 -0.43 0.03 0.00 -1.53 0.00 0.00 36.38 34.54 1s4d s VAL 43 CO 0.88 0.21 0.06 -0.63 -3.33 0.00 0.00 175.10 172.28 1s4d s ILE 44 N 1.36 3.59 -0.70 7.04 1.01 -0.16 -1.64 121.20 131.70 1s4d s ILE 44 Ca -0.05 -1.05 -0.17 0.00 0.00 0.00 0.00 60.65 59.38 1s4d s ILE 44 Cb -0.13 -2.97 0.14 0.00 0.01 0.00 0.00 42.46 39.51 1s4d s ILE 44 CO -0.02 -0.05 0.77 -0.69 0.00 0.00 0.00 174.94 174.94 1s4d s VAL 45 N 1.39 5.05 0.11 2.92 1.01 0.05 -1.15 120.40 129.79 1s4d s VAL 45 Ca -0.01 -1.53 0.01 0.00 0.00 0.00 0.00 61.98 60.44 1s4d s VAL 45 Cb -0.19 -4.52 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 1s4d s VAL 45 CO 0.01 -1.14 0.27 -1.38 0.00 0.00 0.00 175.10 172.86 1s4d s HIS 46 N 1.91 3.50 0.00 5.22 -3.43 -1.04 -0.93 115.29 120.52 1s4d s HIS 46 Ca 0.16 0.22 0.00 0.00 -0.80 0.00 0.00 55.06 54.64 1s4d s HIS 46 Cb -0.18 -1.75 0.00 0.00 -1.43 0.00 0.00 32.58 29.22 1s4d s HIS 46 CO -0.01 0.53 0.00 -0.40 -2.00 0.00 0.00 174.74 172.86 1s4d n ASP 47 N -0.14 0.00 -4.49 7.38 5.68 -1.00 -2.21 116.55 121.77 1s4d n ASP 47 Ca -0.06 -0.90 -0.42 0.00 -0.50 0.00 0.00 54.79 52.92 1s4d n ASP 47 Cb 0.52 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.38 1s4d n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s4d n ALA 48 N -3.00 0.40 -2.77 2.12 0.00 -1.26 -4.83 120.51 111.18 1s4d n ALA 48 Ca 0.00 -0.36 -0.35 0.00 0.00 0.00 0.00 53.44 52.74 1s4d n ALA 48 Cb 0.00 -2.43 -0.09 0.00 0.00 0.00 0.00 19.45 16.93 1s4d n ALA 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s4d s LEU 49 N 9.30 4.04 0.11 0.00 1.43 -1.26 -4.80 118.68 127.51 1s4d s LEU 49 Ca 1.27 0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 54.40 1s4d s LEU 49 Cb -1.07 -2.04 -0.08 0.00 0.03 0.00 0.00 46.19 43.03 1s4d s LEU 49 CO 0.46 0.17 1.43 0.58 0.23 0.00 0.00 176.35 179.23 1s4d h VAL 50 N 4.76 1.29 -3.52 -1.59 2.07 -1.91 -3.38 116.25 113.98 1s4d h VAL 50 Ca -0.39 -1.49 -0.67 0.00 0.82 0.00 0.00 66.70 64.96 1s4d h VAL 50 Cb 1.16 1.54 -0.29 0.00 -1.52 0.00 0.00 31.29 32.17 1s4d h VAL 50 CO 0.73 0.48 -0.70 0.20 0.02 0.00 0.00 177.57 178.31 1s4d s ASN 51 N -6.63 4.56 -0.04 0.57 -0.87 -1.26 -4.97 114.94 106.30 1s4d s ASN 51 Ca -0.12 -0.72 -0.00 0.00 -1.57 0.00 0.00 52.86 50.45 1s4d s ASN 51 Cb 0.09 -1.75 0.03 0.00 -0.02 0.00 0.00 41.25 39.61 1s4d s ASN 51 CO 0.84 -0.12 1.80 -0.62 -2.57 0.00 0.00 177.10 176.43 1s4d n GLU 52 N 4.76 1.09 -0.10 -0.60 1.02 -1.26 -4.26 120.64 121.29 1s4d n GLU 52 Ca -0.16 -0.19 -0.19 0.00 -0.02 0.00 0.00 57.16 56.60 1s4d n GLU 52 Cb 0.48 -1.07 -0.08 0.00 -0.02 0.00 0.00 31.44 30.75 1s4d n GLU 52 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1s4d n ASP 53 N 1.15 1.85 0.26 1.62 2.03 -1.26 -4.48 116.55 117.71 1s4d n ASP 53 Ca 0.04 0.12 0.12 0.00 0.52 0.00 0.00 54.79 55.59 1s4d n ASP 53 Cb 0.52 -0.50 0.69 0.00 -0.72 0.00 0.00 41.12 41.11 1s4d n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s4d h LEU 55 N 0.00 0.00 -1.60 0.00 3.38 -1.87 -1.82 115.31 113.40 1s4d h LEU 55 Ca -0.00 0.00 0.33 0.00 0.09 0.00 0.00 57.88 58.30 1s4d h LEU 55 Cb 0.38 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 1s4d h LEU 55 CO 0.02 0.00 0.78 0.11 0.09 0.00 0.00 178.44 179.44 1s4d h LYS 56 N 0.00 0.19 -0.82 1.13 1.57 -1.66 -0.31 116.57 116.67 1s4d h LYS 56 Ca 0.15 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1s4d h LYS 56 Cb 0.68 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1s4d h LYS 56 CO -0.00 0.13 0.02 1.47 -0.57 0.00 0.00 179.45 180.49 1s4d n LEU 57 N -4.47 3.19 -4.54 2.94 -0.00 -0.68 -4.76 117.00 108.67 1s4d n LEU 57 Ca 0.28 -1.62 -0.43 0.00 -0.00 0.00 0.00 56.01 54.24 1s4d n LEU 57 Cb 1.13 -0.59 -0.05 0.00 -0.00 0.00 0.00 43.42 43.90 1s4d n LEU 57 CO 0.30 0.43 0.55 0.00 -0.00 0.00 0.00 177.39 178.68 1s4d s ALA 58 N -1.77 3.31 -0.25 1.47 0.00 -0.13 -3.87 121.76 120.53 1s4d s ALA 58 Ca 0.24 -0.99 -0.40 0.00 0.00 0.00 0.00 51.96 50.81 1s4d s ALA 58 Cb 0.19 -3.45 -0.16 0.00 0.00 0.00 0.00 23.12 19.70 1s4d s ALA 58 CO 0.07 -1.87 1.68 2.89 0.00 0.00 0.00 175.76 178.53 1s4d n ARG 59 N 6.65 1.04 -1.73 0.00 -4.01 -1.25 -4.74 116.66 112.62 1s4d n ARG 59 Ca 0.02 0.38 -0.42 0.00 -1.04 0.00 0.00 57.85 56.79 1s4d n ARG 59 Cb 0.48 -2.04 -0.03 0.00 -3.04 0.00 0.00 32.46 27.83 1s4d n ARG 59 CO 0.00 0.00 0.00 -2.14 -3.04 0.00 0.00 177.63 172.45 1s4d s PRO 60 N 3.10 4.14 0.00 2.89 0.02 -1.26 -2.98 135.00 140.91 1s4d s PRO 60 Ca 0.97 2.58 0.00 0.00 0.02 0.00 0.00 61.00 64.58 1s4d s PRO 60 Cb -1.10 -3.58 0.00 0.00 0.02 0.00 0.00 34.50 29.85 1s4d s PRO 60 CO 0.65 -0.83 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 1s4d n GLY 61 N 4.21 1.87 3.53 0.52 0.00 -1.26 -5.13 105.19 108.94 1s4d n GLY 61 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1s4d n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4d s ALA 62 N -2.00 2.82 -0.23 4.61 0.00 -1.16 -5.01 121.76 120.79 1s4d s ALA 62 Ca 0.00 -1.24 -0.16 0.00 0.00 0.00 0.00 51.96 50.56 1s4d s ALA 62 Cb 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1s4d s ALA 62 CO 0.00 0.61 0.40 0.54 0.00 0.00 0.00 175.76 177.31 1s4d s VAL 63 N -1.12 5.18 0.39 0.00 0.11 -0.64 -4.96 120.40 119.36 1s4d s VAL 63 Ca 0.19 0.66 -0.14 0.00 -2.93 0.00 0.00 61.98 59.76 1s4d s VAL 63 Cb -0.11 -3.72 -0.08 0.00 -1.53 0.00 0.00 36.38 30.94 1s4d s VAL 63 CO 0.11 0.20 0.80 -0.76 -3.33 0.00 0.00 175.10 172.12 1s4d s LEU 64 N 1.69 3.90 -0.25 2.54 1.43 -1.26 -0.98 118.68 125.75 1s4d s LEU 64 Ca 0.17 1.29 -0.02 0.00 -1.03 0.00 0.00 54.13 54.54 1s4d s LEU 64 Cb -0.15 -4.14 0.12 0.00 0.03 0.00 0.00 46.19 42.05 1s4d s LEU 64 CO 0.09 -0.35 0.30 -1.61 0.23 0.00 0.00 176.35 175.01 1s4d s GLU 65 N -3.50 0.29 -0.44 1.70 2.02 -0.30 -4.91 118.70 113.55 1s4d s GLU 65 Ca 0.54 0.19 -0.28 0.00 0.02 0.00 0.00 54.97 55.45 1s4d s GLU 65 Cb -0.10 -0.78 -0.01 0.00 0.10 0.00 0.00 34.13 33.33 1s4d s GLU 65 CO 0.25 -0.78 1.74 0.12 0.02 0.00 0.00 175.26 176.61 1s4d s PHE 66 N 2.41 1.87 -0.08 1.61 5.36 -1.26 -2.50 117.98 125.39 1s4d s PHE 66 Ca 0.09 0.68 0.14 0.00 -0.96 0.00 0.00 56.93 56.88 1s4d s PHE 66 Cb -0.15 -4.15 -0.11 0.00 -0.34 0.00 0.00 43.02 38.27 1s4d s PHE 66 CO -0.20 -2.57 1.05 0.00 -1.46 0.00 0.00 175.22 172.04 1s4d h ALA 67 N 13.12 0.63 -3.00 11.12 0.00 -1.78 -3.46 119.26 135.90 1s4d h ALA 67 Ca -0.30 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1s4d h ALA 67 Cb 1.15 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1s4d h ALA 67 CO 1.10 0.99 0.00 0.41 0.00 0.00 0.00 179.25 181.75 1s4d n GLY 68 N 1.36 -0.36 3.06 0.00 0.00 -1.26 -4.68 105.19 103.32 1s4d n GLY 68 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1s4d n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s4d s LYS 69 N 0.00 0.20 0.18 1.61 -2.85 -1.26 -4.39 119.74 113.23 1s4d s LYS 69 Ca 0.00 0.65 -0.13 0.00 -1.00 0.00 0.00 55.97 55.49 1s4d s LYS 69 Cb 0.00 -0.07 0.01 0.00 -2.06 0.00 0.00 37.83 35.71 1s4d s LYS 69 CO 0.00 -0.21 0.40 -0.98 0.10 0.00 0.00 175.35 174.66 1s4d s ARG 70 N 1.74 1.26 0.00 1.78 3.03 -1.26 -4.99 118.95 120.51 1s4d s ARG 70 Ca -0.05 -1.03 0.00 0.00 2.03 0.00 0.00 55.73 56.68 1s4d s ARG 70 Cb -0.11 0.44 0.00 0.00 -1.03 0.00 0.00 34.95 34.26 1s4d s ARG 70 CO -0.09 -0.50 0.00 0.41 -1.13 0.00 0.00 175.30 173.99 1s4d n GLY 71 N -0.27 1.25 0.00 3.88 0.00 -1.26 -4.26 105.19 104.53 1s4d n GLY 71 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1s4d n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s4d n GLY 72 N 0.00 1.59 0.04 -0.02 0.00 -1.26 -5.09 105.19 100.45 1s4d n GLY 72 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1s4d n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s4d n LYS 73 N 0.00 0.00 -2.04 1.61 4.76 -1.26 -5.09 118.16 116.14 1s4d n LYS 73 Ca 0.00 -0.42 -0.41 0.00 -2.87 0.00 0.00 58.31 54.61 1s4d n LYS 73 Cb 0.00 -0.39 -0.03 0.00 -1.84 0.00 0.00 35.03 32.78 1s4d n LYS 73 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1s4d s PRO 74 N 0.00 3.12 -0.51 1.97 0.04 -1.26 -4.88 135.00 133.48 1s4d s PRO 74 Ca 0.00 1.11 -0.17 0.00 0.04 0.00 0.00 61.00 61.98 1s4d s PRO 74 Cb 0.00 -4.24 0.08 0.00 0.04 0.00 0.00 34.50 30.37 1s4d s PRO 74 CO 0.00 -2.12 0.52 -1.12 0.04 0.00 0.00 177.00 174.32 1s4d s SER 75 N 6.58 6.18 0.65 6.66 0.01 -1.26 -4.66 113.70 127.86 1s4d s SER 75 Ca 0.74 -1.26 -0.18 0.00 1.31 0.00 0.00 55.95 56.56 1s4d s SER 75 Cb -0.18 -2.24 -0.01 0.00 0.21 0.00 0.00 66.02 63.80 1s4d s SER 75 CO 0.29 -0.81 1.25 -2.16 0.41 0.00 0.00 173.24 172.22 1s4d s PRO 76 N 2.08 2.61 0.71 12.44 0.04 -1.26 -4.90 135.00 146.72 1s4d s PRO 76 Ca 0.08 1.93 -0.16 0.00 0.04 0.00 0.00 61.00 62.89 1s4d s PRO 76 Cb -0.23 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1s4d s PRO 76 CO 0.08 -1.52 1.15 1.17 0.04 0.00 0.00 177.00 177.92 1s4d n LYS 77 N -1.96 0.69 -0.28 4.56 0.00 -1.26 -4.81 118.16 115.10 1s4d n LYS 77 Ca 0.15 0.30 0.09 0.00 0.00 0.00 0.00 58.31 58.84 1s4d n LYS 77 Cb 0.49 -2.39 0.23 0.00 0.00 0.00 0.00 35.03 33.35 1s4d n LYS 77 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1s4d h GLN 78 N -0.06 0.20 -1.13 1.64 5.75 -2.01 -0.40 115.11 119.10 1s4d h GLN 78 Ca -0.49 -0.01 0.33 0.00 -0.15 0.00 0.00 58.65 58.33 1s4d h GLN 78 Cb 1.33 -0.05 -0.11 0.00 1.07 0.00 0.00 27.48 29.72 1s4d h GLN 78 CO 0.49 0.14 0.72 0.00 -2.65 0.00 0.00 178.83 177.53 1s4d h ARG 79 N 0.21 0.27 -0.03 1.69 3.08 -1.98 0.22 114.38 117.83 1s4d h ARG 79 Ca 0.48 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.46 1s4d h ARG 79 Cb 0.90 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1s4d h ARG 79 CO -0.61 0.18 -0.20 -0.44 -1.07 0.00 0.00 179.97 177.82 1s4d h ASP 80 N 0.28 0.24 -0.32 7.04 3.45 -1.40 -1.31 116.42 124.39 1s4d h ASP 80 Ca 0.69 -0.68 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 1s4d h ASP 80 Cb 1.90 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 40.58 1s4d h ASP 80 CO -0.37 0.88 0.19 0.40 -1.57 0.00 0.00 179.24 178.77 1s4d h ILE 81 N -0.39 1.13 0.00 0.35 2.04 -1.33 -1.92 117.51 117.38 1s4d h ILE 81 Ca -0.02 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1s4d h ILE 81 Cb 0.88 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 1s4d h ILE 81 CO 0.04 0.13 -0.44 0.28 0.00 0.00 0.00 178.15 178.15 1s4d h SER 82 N 0.41 -1.35 0.23 1.72 0.02 -0.65 -2.58 113.55 111.35 1s4d h SER 82 Ca 0.11 0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 61.18 1s4d h SER 82 Cb 0.04 0.52 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1s4d h SER 82 CO -0.02 -0.47 -0.22 -0.07 -1.14 0.00 0.00 176.83 174.91 1s4d h LEU 83 N -0.60 0.00 -1.09 5.07 3.38 -1.07 -0.41 115.31 120.59 1s4d h LEU 83 Ca 0.04 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1s4d h LEU 83 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1s4d h LEU 83 CO -0.33 0.22 -0.37 -0.09 0.09 0.00 0.00 178.44 177.96 1s4d h ARG 84 N 0.00 0.15 -0.47 1.13 2.43 -1.08 0.40 114.38 116.94 1s4d h ARG 84 Ca -0.00 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 1s4d h ARG 84 Cb 0.39 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1s4d h ARG 84 CO 0.03 0.51 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.92 1s4d h LEU 85 N 0.13 0.83 0.26 3.80 3.38 -0.69 0.98 115.31 124.00 1s4d h LEU 85 Ca 0.01 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1s4d h LEU 85 Cb 0.72 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1s4d h LEU 85 CO 0.05 0.94 -0.13 0.58 0.09 0.00 0.00 178.44 179.98 1s4d h VAL 86 N 0.70 0.77 -0.83 1.22 2.07 -1.09 0.20 116.25 119.28 1s4d h VAL 86 Ca 0.13 -0.24 0.08 0.00 0.82 0.00 0.00 66.70 67.49 1s4d h VAL 86 Cb 0.52 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 1s4d h VAL 86 CO 0.03 0.05 0.49 -0.08 0.02 0.00 0.00 177.57 178.08 1s4d h GLU 87 N -0.48 0.83 -0.22 1.57 4.81 -0.16 0.29 114.58 121.23 1s4d h GLU 87 Ca -0.04 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.01 1s4d h GLU 87 Cb 0.36 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1s4d h GLU 87 CO 0.06 0.55 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.39 1s4d h LEU 88 N 0.85 0.56 0.49 1.64 3.38 -0.72 -2.94 115.31 118.56 1s4d h LEU 88 Ca 0.39 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1s4d h LEU 88 Cb 0.29 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1s4d h LEU 88 CO -0.22 0.92 -0.23 0.00 0.09 0.00 0.00 178.44 178.99 1s4d h ALA 89 N 1.11 -0.65 -0.05 1.53 0.00 0.91 -2.95 119.26 119.16 1s4d h ALA 89 Ca 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1s4d h ALA 89 Cb 0.93 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1s4d h ALA 89 CO 0.08 -0.75 0.26 0.00 0.00 0.00 0.00 179.25 178.84 1s4d h ARG 90 N -0.88 0.00 -0.67 0.00 3.08 -0.54 -1.29 114.38 114.08 1s4d h ARG 90 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1s4d h ARG 90 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1s4d h ARG 90 CO 0.11 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.01 1s4d n ALA 91 N -2.00 3.32 0.00 0.04 0.00 -1.11 -4.92 120.51 115.84 1s4d n ALA 91 Ca -0.01 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.13 1s4d n ALA 91 Cb 0.33 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1s4d n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 92 N 0.60 3.39 3.74 0.00 0.00 -0.48 -5.05 105.19 107.39 1s4d n GLY 92 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1s4d n GLY 92 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s4d s ASN 93 N -1.03 4.79 -0.76 1.61 0.01 -1.17 -3.13 114.94 115.26 1s4d s ASN 93 Ca 0.00 2.42 -0.22 0.00 -0.71 0.00 0.00 52.86 54.35 1s4d s ASN 93 Cb 0.00 -2.60 0.08 0.00 0.41 0.00 0.00 41.25 39.14 1s4d s ASN 93 CO 0.00 -1.87 1.07 -0.13 -1.51 0.00 0.00 177.10 174.66 1s4d s ARG 94 N -3.53 3.27 -0.14 -0.60 0.52 -1.26 -0.99 118.95 116.22 1s4d s ARG 94 Ca 0.77 -1.01 -0.19 0.00 -0.52 0.00 0.00 55.73 54.78 1s4d s ARG 94 Cb -0.31 -4.47 -0.04 0.00 0.52 0.00 0.00 34.95 30.65 1s4d s ARG 94 CO 0.38 -1.87 0.50 0.08 0.02 0.00 0.00 175.30 174.41 1s4d s VAL 95 N 3.98 5.16 -0.23 3.52 1.01 -1.00 -1.06 120.40 131.79 1s4d s VAL 95 Ca 0.28 0.98 0.01 0.00 0.00 0.00 0.00 61.98 63.25 1s4d s VAL 95 Cb -0.12 -3.84 0.06 0.00 0.00 0.00 0.00 36.38 32.48 1s4d s VAL 95 CO 0.04 0.28 -0.07 -0.22 0.00 0.00 0.00 175.10 175.14 1s4d s LEU 96 N 0.88 2.58 -0.72 3.92 2.96 -0.65 -1.55 118.68 126.11 1s4d s LEU 96 Ca 0.26 -1.12 -0.20 0.00 -0.22 0.00 0.00 54.13 52.85 1s4d s LEU 96 Cb -0.15 -1.23 0.10 0.00 0.50 0.00 0.00 46.19 45.40 1s4d s LEU 96 CO 0.11 -0.21 0.93 -0.60 -1.32 0.00 0.00 176.35 175.26 1s4d s ARG 97 N 1.36 3.24 -0.25 1.98 6.06 -0.17 -0.77 118.95 130.40 1s4d s ARG 97 Ca -0.05 -1.26 -0.24 0.00 -2.50 0.00 0.00 55.73 51.68 1s4d s ARG 97 Cb -0.18 -4.43 -0.01 0.00 0.06 0.00 0.00 34.95 30.39 1s4d s ARG 97 CO -0.07 -1.72 0.80 -1.17 -2.50 0.00 0.00 175.30 170.65 1s4d s LEU 98 N 3.21 4.08 0.10 -0.88 0.20 -0.11 -0.85 118.68 124.42 1s4d s LEU 98 Ca 0.22 0.95 0.09 0.00 0.69 0.00 0.00 54.13 56.08 1s4d s LEU 98 Cb -0.15 -3.14 -0.03 0.00 -0.43 0.00 0.00 46.19 42.43 1s4d s LEU 98 CO 0.03 -0.52 -0.22 -0.54 -0.29 0.00 0.00 176.35 174.82 1s4d s LYS 99 N 2.83 1.22 0.51 1.98 1.02 -0.63 -2.37 119.74 124.30 1s4d s LYS 99 Ca 0.34 -1.17 -0.22 0.00 0.02 0.00 0.00 55.97 54.94 1s4d s LYS 99 Cb -0.15 -1.51 -0.06 0.00 -0.52 0.00 0.00 37.83 35.60 1s4d s LYS 99 CO 0.08 0.36 1.24 0.20 -0.92 0.00 0.00 175.35 176.30 1s4d s GLY 100 N -1.84 2.80 0.00 -3.33 0.00 -1.26 -0.35 107.32 103.35 1s4d s GLY 100 Ca 0.08 1.08 0.00 0.00 0.00 0.00 0.00 44.72 45.88 1s4d s GLY 100 CO 0.04 1.54 0.00 0.61 0.00 0.00 0.00 173.10 175.29 1s4d n GLY 101 N 0.54 3.34 3.29 0.20 0.00 -0.70 -4.57 105.19 107.29 1s4d n GLY 101 Ca 0.10 0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1s4d n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s4d s ASP 102 N -4.00 2.97 0.53 1.61 -1.08 -1.25 -1.63 116.67 113.83 1s4d s ASP 102 Ca 0.00 -0.46 0.27 0.00 -0.52 0.00 0.00 52.55 51.84 1s4d s ASP 102 Cb 0.00 -0.42 1.42 0.00 -1.46 0.00 0.00 42.92 42.46 1s4d s ASP 102 CO 0.00 0.30 1.97 -0.65 0.52 0.00 0.00 175.17 177.30 1s4d h PRO 103 N 5.61 0.00 -0.20 4.34 0.11 -1.84 -2.90 132.00 137.12 1s4d h PRO 103 Ca -0.41 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1s4d h PRO 103 Cb 1.13 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1s4d h PRO 103 CO 0.47 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.45 1s4d n PHE 104 N -4.35 0.26 -3.52 0.65 0.99 -1.26 -2.04 117.46 108.19 1s4d n PHE 104 Ca 0.12 -0.23 -0.37 0.00 -0.00 0.00 0.00 57.45 56.98 1s4d n PHE 104 Cb 0.71 -0.01 -0.05 0.00 -1.00 0.00 0.00 39.48 39.12 1s4d n PHE 104 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1s4d n VAL 105 N 0.74 3.34 -2.26 -4.37 0.31 -1.09 -4.67 118.33 110.33 1s4d n VAL 105 Ca 0.11 -5.25 -0.05 0.00 -0.01 0.00 0.00 64.34 59.15 1s4d n VAL 105 Cb 0.39 -2.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.00 1s4d n VAL 105 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1s4d n PHE 106 N 2.05 -0.31 0.05 3.52 0.99 -1.26 -4.77 117.46 117.72 1s4d n PHE 106 Ca 0.23 0.06 0.02 0.00 -0.00 0.00 0.00 57.45 57.76 1s4d n PHE 106 Cb 0.37 -1.68 0.03 0.00 -1.00 0.00 0.00 39.48 37.20 1s4d n PHE 106 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1s4d n GLY 107 N -0.95 0.73 2.45 1.37 0.00 -1.25 -5.00 105.19 102.54 1s4d n GLY 107 Ca -0.04 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 1s4d n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4d n ARG 108 N -0.00 -0.99 -0.06 1.61 5.12 -1.26 -4.91 116.66 116.16 1s4d n ARG 108 Ca 0.03 0.73 -0.11 0.00 -1.93 0.00 0.00 57.85 56.56 1s4d n ARG 108 Cb 0.18 -4.72 0.03 0.00 -1.16 0.00 0.00 32.46 26.79 1s4d n ARG 108 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1s4d h GLY 109 N 0.00 0.83 1.06 -0.13 0.00 -1.79 -0.68 103.07 102.36 1s4d h GLY 109 Ca -0.17 -0.87 -0.10 0.00 0.00 0.00 0.00 47.33 46.19 1s4d h GLY 109 CO 0.25 0.79 -0.05 -1.33 0.00 0.00 0.00 176.54 176.20 1s4d h GLY 110 N 0.90 1.07 0.74 4.60 0.00 -1.91 -1.56 103.07 106.91 1s4d h GLY 110 Ca 0.04 -0.83 0.02 0.00 0.00 0.00 0.00 47.33 46.57 1s4d h GLY 110 CO 0.09 0.76 -0.10 -2.09 0.00 0.00 0.00 176.54 175.20 1s4d h GLU 111 N 0.87 -0.17 -0.27 4.80 4.81 -1.92 -0.72 114.58 121.99 1s4d h GLU 111 Ca 0.15 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 1s4d h GLU 111 Cb 0.60 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.97 1s4d h GLU 111 CO 0.04 -0.11 -0.06 0.93 -0.73 0.00 0.00 179.01 179.07 1s4d h GLU 112 N -0.18 0.01 -0.93 1.92 5.08 -1.04 -2.19 114.58 117.25 1s4d h GLU 112 Ca 0.04 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1s4d h GLU 112 Cb 0.22 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 1s4d h GLU 112 CO -0.10 0.00 0.59 0.00 -1.00 0.00 0.00 179.01 178.50 1s4d h ALA 113 N 1.26 1.31 -0.15 3.43 0.00 -1.08 -2.06 119.26 121.97 1s4d h ALA 113 Ca 0.13 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1s4d h ALA 113 Cb 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1s4d h ALA 113 CO -0.27 0.32 0.10 -0.07 0.00 0.00 0.00 179.25 179.33 1s4d h LEU 114 N 1.04 0.12 0.21 0.00 4.07 -0.49 0.12 115.31 120.37 1s4d h LEU 114 Ca 0.42 -0.00 -0.33 0.00 0.08 0.00 0.00 57.88 58.05 1s4d h LEU 114 Cb 0.23 -0.03 0.04 0.00 1.08 0.00 0.00 40.66 41.98 1s4d h LEU 114 CO -0.19 0.08 -1.41 0.74 -1.08 0.00 0.00 178.44 176.58 1s4d h THR 115 N 0.14 1.29 -0.32 0.22 2.02 -1.17 -2.65 112.91 112.44 1s4d h THR 115 Ca 0.06 -2.65 0.06 0.00 0.77 0.00 0.00 66.41 64.65 1s4d h THR 115 Cb 0.08 2.94 -0.05 0.00 -1.74 0.00 0.00 68.15 69.38 1s4d h THR 115 CO -0.01 0.80 -0.03 -0.07 0.37 0.00 0.00 175.52 176.57 1s4d h LEU 116 N 0.18 -0.19 0.43 2.58 4.07 -0.69 -1.20 115.31 120.49 1s4d h LEU 116 Ca -0.23 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.79 1s4d h LEU 116 Cb 2.10 0.16 0.00 0.00 1.08 0.00 0.00 40.66 44.00 1s4d h LEU 116 CO 0.27 -0.06 -0.21 0.58 -1.08 0.00 0.00 178.44 177.94 1s4d h VAL 117 N 0.05 0.58 -1.39 1.22 2.07 -0.93 -1.14 116.25 116.72 1s4d h VAL 117 Ca 0.15 -0.01 0.48 0.00 0.82 0.00 0.00 66.70 68.14 1s4d h VAL 117 Cb 0.22 0.59 -0.14 0.00 -1.52 0.00 0.00 31.29 30.44 1s4d h VAL 117 CO -0.28 0.00 0.89 -0.08 0.02 0.00 0.00 177.57 178.12 1s4d h GLU 118 N -0.58 0.01 -0.32 1.57 4.81 -1.16 0.17 114.58 119.08 1s4d h GLU 118 Ca -0.06 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1s4d h GLU 118 Cb 0.44 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1s4d h GLU 118 CO 0.10 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.10 1s4d n HIS 119 N -4.74 1.01 -2.32 0.92 8.25 -0.48 -4.97 115.22 112.90 1s4d n HIS 119 Ca 0.41 -0.80 -0.20 0.00 -0.26 0.00 0.00 57.72 56.86 1s4d n HIS 119 Cb 1.57 -0.29 -0.02 0.00 1.12 0.00 0.00 29.99 32.37 1s4d n HIS 119 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1s4d n GLN 120 N -0.21 -1.72 -3.64 -0.41 6.02 0.58 -4.98 117.38 113.02 1s4d n GLN 120 Ca 0.21 0.98 -0.37 0.00 -0.01 0.00 0.00 57.00 57.80 1s4d n GLN 120 Cb 0.86 -5.61 -0.11 0.00 1.02 0.00 0.00 30.24 26.40 1s4d n GLN 120 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1s4d s VAL 121 N -2.95 5.06 0.67 5.09 1.01 -0.46 -5.03 120.40 123.78 1s4d s VAL 121 Ca 0.00 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 1s4d s VAL 121 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1s4d s VAL 121 CO 0.00 0.28 1.17 -2.16 0.00 0.00 0.00 175.10 174.39 1s4d s PRO 122 N 1.64 2.61 0.27 2.72 0.04 -1.26 -4.16 135.00 136.86 1s4d s PRO 122 Ca 0.07 1.63 -0.07 0.00 0.04 0.00 0.00 61.00 62.67 1s4d s PRO 122 Cb -0.16 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1s4d s PRO 122 CO 0.09 -1.45 0.42 -0.59 0.04 0.00 0.00 177.00 175.51 1s4d s PHE 123 N -2.02 0.73 -0.04 0.56 -0.12 -1.26 -2.59 117.98 113.24 1s4d s PHE 123 Ca 0.72 -1.03 -0.04 0.00 -0.05 0.00 0.00 56.93 56.53 1s4d s PHE 123 Cb -0.26 -0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.12 1s4d s PHE 123 CO 0.40 -0.99 0.11 0.50 -0.05 0.00 0.00 175.22 175.19 1s4d s ARG 124 N -3.68 0.12 -0.09 1.99 3.52 -0.73 -4.95 118.95 115.12 1s4d s ARG 124 Ca 0.28 0.15 -0.11 0.00 -0.13 0.00 0.00 55.73 55.92 1s4d s ARG 124 Cb 0.01 0.05 -0.05 0.00 -1.56 0.00 0.00 34.95 33.40 1s4d s ARG 124 CO 0.13 -0.02 0.26 0.42 -0.81 0.00 0.00 175.30 175.29 1s4d s ILE 125 N 0.08 5.30 -0.31 4.11 -1.09 -1.26 -0.79 121.20 127.25 1s4d s ILE 125 Ca -0.00 0.49 0.02 0.00 -2.23 0.00 0.00 60.65 58.93 1s4d s ILE 125 Cb -0.01 -3.56 0.09 0.00 -1.58 0.00 0.00 42.46 37.40 1s4d s ILE 125 CO 0.00 0.55 0.03 -0.69 -1.23 0.00 0.00 174.94 173.60 1s4d s VAL 126 N -0.65 1.75 0.56 2.92 1.01 -0.03 -4.95 120.40 121.01 1s4d s VAL 126 Ca 0.18 -1.83 -0.18 0.00 0.00 0.00 0.00 61.98 60.15 1s4d s VAL 126 Cb -0.14 -2.21 -0.09 0.00 0.00 0.00 0.00 36.38 33.94 1s4d s VAL 126 CO 0.07 -0.48 0.53 -2.65 0.00 0.00 0.00 175.10 172.56 1s4d n PRO 127 N 4.50 0.52 -4.36 2.72 -0.02 -1.26 -0.99 135.00 136.11 1s4d n PRO 127 Ca -0.02 0.20 -0.18 0.00 -2.02 0.00 0.00 63.50 61.48 1s4d n PRO 127 Cb 0.42 -1.70 -0.10 0.00 -0.02 0.00 0.00 33.50 32.10 1s4d n PRO 127 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1s4d s GLY 128 N -1.17 1.70 0.13 -1.23 0.00 -1.25 -4.42 107.32 101.08 1s4d s GLY 128 Ca 0.69 -1.85 -0.31 0.00 0.00 0.00 0.00 44.72 43.25 1s4d s GLY 128 CO 0.54 -1.69 1.34 -0.42 0.00 0.00 0.00 173.10 172.87 1s4d s ILE 129 N -3.44 3.38 0.10 0.90 -1.09 -1.25 -4.32 121.20 115.48 1s4d s ILE 129 Ca 0.32 1.03 -0.01 0.00 -2.23 0.00 0.00 60.65 59.76 1s4d s ILE 129 Cb 0.07 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 1s4d s ILE 129 CO 0.11 0.10 0.26 0.28 -1.23 0.00 0.00 174.94 174.46 1s4d s THR 130 N 0.84 5.33 0.30 2.92 -1.32 -1.26 -3.61 115.64 118.84 1s4d s THR 130 Ca 0.62 -0.35 0.06 0.00 -1.21 0.00 0.00 61.69 60.81 1s4d s THR 130 Cb -0.36 -3.65 0.06 0.00 -1.51 0.00 0.00 72.50 67.04 1s4d s THR 130 CO 0.32 0.07 1.74 0.00 -2.21 0.00 0.00 174.62 174.53 1s4d h ALA 131 N 2.82 1.16 0.00 11.08 0.00 -1.94 0.41 119.26 132.79 1s4d h ALA 131 Ca -0.46 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1s4d h ALA 131 Cb 1.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1s4d h ALA 131 CO 0.74 0.55 0.00 0.78 0.00 0.00 0.00 179.25 181.31 1s4d h GLY 132 N 1.09 0.00 0.00 0.00 0.00 -1.96 -1.79 103.07 100.41 1s4d h GLY 132 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1s4d h GLY 132 CO 0.05 0.00 -0.43 1.39 0.00 0.00 0.00 176.54 177.55 1s4d n ILE 133 N -2.84 0.60 -0.02 2.60 5.41 -0.69 -4.52 119.36 119.89 1s4d n ILE 133 Ca -0.02 0.20 -0.12 0.00 1.00 0.00 0.00 62.75 63.81 1s4d n ILE 133 Cb 0.09 -1.46 -0.07 0.00 -0.71 0.00 0.00 39.64 37.49 1s4d n ILE 133 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1s4d h GLY 134 N 0.00 0.16 -0.14 7.39 0.00 -1.09 -1.78 103.07 107.61 1s4d h GLY 134 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.25 1s4d h GLY 134 CO 0.00 0.11 -0.53 -1.33 0.00 0.00 0.00 176.54 174.79 1s4d h GLY 135 N -0.14 -1.03 0.38 4.60 0.00 -1.32 -0.51 103.07 105.05 1s4d h GLY 135 Ca 0.02 0.67 0.17 0.00 0.00 0.00 0.00 47.33 48.19 1s4d h GLY 135 CO 0.00 -0.19 0.59 1.41 0.00 0.00 0.00 176.54 178.35 1s4d h LEU 136 N -0.56 0.64 -0.80 3.11 3.38 -1.45 0.87 115.31 120.50 1s4d h LEU 136 Ca 0.04 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1s4d h LEU 136 Cb 0.67 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1s4d h LEU 136 CO -0.45 0.29 0.49 0.00 0.09 0.00 0.00 178.44 178.86 1s4d h ALA 137 N 1.61 1.02 0.00 1.53 0.00 -0.27 -0.05 119.26 123.10 1s4d h ALA 137 Ca 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1s4d h ALA 137 Cb 0.85 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1s4d h ALA 137 CO -0.24 0.48 0.00 1.88 0.00 0.00 0.00 179.25 181.37 1s4d h TYR 138 N 1.10 0.00 -0.58 0.00 -1.99 0.68 0.39 116.97 116.56 1s4d h TYR 138 Ca 0.29 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.02 1s4d h TYR 138 Cb -0.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.68 1s4d h TYR 138 CO -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.15 1s4d n ALA 139 N -1.83 2.33 -1.46 3.88 0.00 -0.28 -4.54 120.51 118.61 1s4d n ALA 139 Ca -0.01 -1.26 -0.08 0.00 0.00 0.00 0.00 53.44 52.09 1s4d n ALA 139 Cb 0.10 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 1s4d n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 140 N 1.18 0.78 3.15 0.00 0.00 0.13 -4.65 105.19 105.79 1s4d n GLY 140 Ca 0.20 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 1s4d n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s4d s ILE 141 N -2.33 3.36 0.38 -0.61 1.01 -0.19 -3.61 121.20 119.21 1s4d s ILE 141 Ca 0.00 -1.84 -0.25 0.00 0.00 0.00 0.00 60.65 58.57 1s4d s ILE 141 Cb 0.00 -3.20 -0.09 0.00 0.01 0.00 0.00 42.46 39.18 1s4d s ILE 141 CO 0.00 -0.55 1.08 -2.16 0.00 0.00 0.00 174.94 173.30 1s4d s PRO 142 N 1.20 4.20 0.38 2.79 0.04 -1.26 -3.76 135.00 138.59 1s4d s PRO 142 Ca 0.05 1.60 0.25 0.00 0.04 0.00 0.00 61.00 62.94 1s4d s PRO 142 Cb -0.22 -2.65 0.61 0.00 0.04 0.00 0.00 34.50 32.28 1s4d s PRO 142 CO -0.03 -0.13 1.70 -0.24 0.04 0.00 0.00 177.00 178.34 1s4d h VAL 143 N 2.32 0.00 -2.90 -0.36 3.04 -1.91 -3.45 116.25 113.00 1s4d h VAL 143 Ca -0.48 -0.77 -0.15 0.00 -1.01 0.00 0.00 66.70 64.29 1s4d h VAL 143 Cb 1.22 1.76 -0.27 0.00 -2.01 0.00 0.00 31.29 31.99 1s4d h VAL 143 CO 0.63 0.00 -0.38 -0.89 -1.01 0.00 0.00 177.57 175.92 1s4d s THR 144 N -3.24 -0.02 -0.27 3.17 2.01 -1.26 -4.82 115.64 111.22 1s4d s THR 144 Ca 0.07 0.07 -0.12 0.00 0.31 0.00 0.00 61.69 62.03 1s4d s THR 144 Cb 0.08 -0.47 0.10 0.00 0.01 0.00 0.00 72.50 72.22 1s4d s THR 144 CO 0.62 0.03 0.61 -2.28 -0.69 0.00 0.00 174.62 172.91 1s4d s HIS 145 N 0.85 -1.10 0.24 4.92 5.04 -1.26 -5.04 115.29 118.93 1s4d s HIS 145 Ca -0.06 2.06 -0.10 0.00 -1.54 0.00 0.00 55.06 55.43 1s4d s HIS 145 Cb -0.06 0.63 0.36 0.00 0.04 0.00 0.00 32.58 33.54 1s4d s HIS 145 CO -0.06 -0.56 1.62 0.00 -2.34 0.00 0.00 174.74 173.40 1s4d h ARG 146 N 7.57 0.04 0.00 2.88 3.08 -2.02 0.21 114.38 126.15 1s4d h ARG 146 Ca -0.24 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1s4d h ARG 146 Cb 1.16 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1s4d h ARG 146 CO 0.14 0.03 0.00 0.39 -1.07 0.00 0.00 179.97 179.46 1s4d n GLU 147 N -5.42 0.41 -0.03 0.04 1.02 -1.26 -3.88 120.64 111.51 1s4d n GLU 147 Ca 0.11 0.06 -0.06 0.00 -0.02 0.00 0.00 57.16 57.26 1s4d n GLU 147 Cb 0.42 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.32 1s4d n GLU 147 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1s4d n VAL 148 N -1.15 0.35 -3.67 2.62 0.31 0.65 -5.10 118.33 112.34 1s4d n VAL 148 Ca 0.11 -0.10 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1s4d n VAL 148 Cb 0.11 -1.32 -0.08 0.00 -0.91 0.00 0.00 33.84 31.63 1s4d n VAL 148 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1s4d s ASN 149 N -5.28 -0.65 0.00 4.52 6.03 -0.69 -4.88 114.94 113.99 1s4d s ASN 149 Ca -0.09 1.20 0.20 0.00 -1.03 0.00 0.00 52.86 53.14 1s4d s ASN 149 Cb 0.03 1.18 0.35 0.00 -3.03 0.00 0.00 41.25 39.78 1s4d s ASN 149 CO 0.12 -0.21 1.29 1.41 -2.03 0.00 0.00 177.10 177.68 1s4d n HIS 150 N 3.12 0.40 -3.71 1.54 8.25 -1.26 -4.14 115.22 119.42 1s4d n HIS 150 Ca -0.15 -0.24 -0.14 0.00 -0.26 0.00 0.00 57.72 56.92 1s4d n HIS 150 Cb 0.56 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.58 1s4d n HIS 150 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s4d s ALA 151 N -1.34 -1.02 0.01 -1.41 0.00 -1.26 -5.12 121.76 111.61 1s4d s ALA 151 Ca 0.32 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.99 1s4d s ALA 151 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 1s4d s ALA 151 CO 0.27 -0.27 -0.04 0.14 0.00 0.00 0.00 175.76 175.86 1s4d s VAL 152 N -0.96 0.32 -0.12 0.00 -7.23 -1.26 -3.37 120.40 107.78 1s4d s VAL 152 Ca -0.10 -0.40 0.03 0.00 -1.81 0.00 0.00 61.98 59.69 1s4d s VAL 152 Cb -0.04 -0.32 -0.00 0.00 0.56 0.00 0.00 36.38 36.59 1s4d s VAL 152 CO 0.04 -0.06 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.67 1s4d s THR 153 N -0.47 2.27 -0.08 5.32 2.01 -1.08 -5.03 115.64 118.57 1s4d s THR 153 Ca -0.02 -0.94 -0.05 0.00 0.31 0.00 0.00 61.69 60.99 1s4d s THR 153 Cb -0.04 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 1s4d s THR 153 CO -0.00 0.55 0.13 -0.36 -0.69 0.00 0.00 174.62 174.25 1s4d s PHE 154 N 0.46 3.51 0.06 4.92 0.08 -1.26 -0.55 117.98 125.19 1s4d s PHE 154 Ca -0.15 0.43 -0.20 0.00 0.12 0.00 0.00 56.93 57.13 1s4d s PHE 154 Cb -0.17 -1.88 0.04 0.00 -0.57 0.00 0.00 43.02 40.44 1s4d s PHE 154 CO 0.06 0.67 0.47 -0.48 -0.10 0.00 0.00 175.22 175.84 1s4d s LEU 155 N -1.26 0.14 -0.14 -0.37 2.34 -0.69 -4.98 118.68 113.73 1s4d s LEU 155 Ca 0.18 0.05 -0.07 0.00 0.06 0.00 0.00 54.13 54.35 1s4d s LEU 155 Cb -0.12 1.96 -0.04 0.00 -0.56 0.00 0.00 46.19 47.43 1s4d s LEU 155 CO 0.08 -0.72 0.13 0.42 -1.06 0.00 0.00 176.35 175.20 1s4d s THR 156 N -2.63 5.41 -2.54 5.48 -4.23 -1.26 -0.50 115.64 115.37 1s4d s THR 156 Ca -0.04 0.18 0.23 0.00 -1.18 0.00 0.00 61.69 60.88 1s4d s THR 156 Cb -0.00 -3.38 0.39 0.00 1.34 0.00 0.00 72.50 70.85 1s4d s THR 156 CO -0.03 0.57 1.42 0.61 -0.54 0.00 0.00 174.62 176.65 1s4d n GLY 157 N 2.38 1.25 0.40 3.99 0.00 0.19 -4.64 105.19 108.76 1s4d n GLY 157 Ca -0.19 -0.66 0.22 0.00 0.00 0.00 0.00 46.02 45.39 1s4d n GLY 157 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1s4d h HIS 158 N 4.02 0.00 -2.16 1.61 -0.00 -1.62 -2.78 115.15 114.21 1s4d h HIS 158 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 60.37 59.79 1s4d h HIS 158 Cb 0.88 0.00 -0.40 0.00 -0.00 0.00 0.00 27.41 27.89 1s4d h HIS 158 CO 0.17 0.00 -0.92 -0.40 -0.00 0.00 0.00 177.93 176.77 1s4d n ASP 159 N -3.86 1.23 -3.63 3.26 5.75 -1.26 -4.95 116.55 113.08 1s4d n ASP 159 Ca 0.10 -2.89 -0.27 0.00 -0.01 0.00 0.00 54.79 51.72 1s4d n ASP 159 Cb 0.70 -0.64 -0.10 0.00 -1.03 0.00 0.00 41.12 40.04 1s4d n ASP 159 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1s4d n SER 160 N 1.46 2.13 -0.12 -1.12 7.64 -1.05 -4.78 113.62 117.78 1s4d n SER 160 Ca 0.24 -3.02 0.14 0.00 1.01 0.00 0.00 58.87 57.25 1s4d n SER 160 Cb 0.48 -0.68 0.66 0.00 -1.01 0.00 0.00 64.21 63.66 1s4d n SER 160 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1s4d n SER 161 N 1.89 0.44 0.00 6.43 3.41 -1.26 -4.77 113.62 119.77 1s4d n SER 161 Ca 0.24 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 1s4d n SER 161 Cb 0.41 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1s4d n SER 161 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s4d n GLY 162 N 1.24 -0.48 1.95 5.00 0.00 -1.26 -5.02 105.19 106.62 1s4d n GLY 162 Ca 0.16 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1s4d n GLY 162 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1s4d n PRO 165 N -2.26 -0.72 -2.52 1.61 -0.04 -1.26 -5.00 135.00 124.81 1s4d n PRO 165 Ca 0.00 -0.08 -0.43 0.00 -0.04 0.00 0.00 63.50 62.95 1s4d n PRO 165 Cb 0.00 0.14 -0.02 0.00 -0.04 0.00 0.00 33.50 33.58 1s4d n PRO 165 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1s4d s ASP 166 N -2.42 6.99 -0.01 3.54 1.11 -1.26 -4.92 116.67 119.70 1s4d s ASP 166 Ca 0.00 1.54 0.01 0.00 0.18 0.00 0.00 52.55 54.28 1s4d s ASP 166 Cb 0.00 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.47 1s4d s ASP 166 CO 0.00 -0.75 0.82 0.54 1.18 0.00 0.00 175.17 176.96 1s4d n ARG 167 N 6.55 0.27 -3.64 8.23 3.00 -1.26 -5.05 116.66 124.75 1s4d n ARG 167 Ca 0.13 -0.96 -0.29 0.00 -0.01 0.00 0.00 57.85 56.72 1s4d n ARG 167 Cb 0.45 -0.60 -0.13 0.00 0.00 0.00 0.00 32.46 32.18 1s4d n ARG 167 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1s4d s ILE 168 N -0.27 0.99 -0.77 0.55 1.01 -1.26 -5.05 121.20 116.41 1s4d s ILE 168 Ca 0.02 -2.19 -0.17 0.00 0.00 0.00 0.00 60.65 58.31 1s4d s ILE 168 Cb 0.02 -1.71 -0.19 0.00 0.01 0.00 0.00 42.46 40.59 1s4d s ILE 168 CO 0.00 -0.90 2.02 -3.20 0.00 0.00 0.00 174.94 172.86 1s4d n ASN 169 N 3.83 0.14 0.26 3.58 2.85 -1.26 -4.68 115.26 119.98 1s4d n ASN 169 Ca 0.08 -1.47 0.12 0.00 -0.11 0.00 0.00 54.58 53.21 1s4d n ASN 169 Cb 0.36 -1.19 0.67 0.00 1.24 0.00 0.00 39.78 40.86 1s4d n ASN 169 CO 0.00 0.00 0.00 -0.50 -2.11 0.00 0.00 177.26 174.65 1s4d h TRP 170 N 11.34 0.00 -0.06 1.20 4.06 -1.99 -2.12 115.95 128.38 1s4d h TRP 170 Ca 0.01 0.00 -0.25 0.00 2.06 0.00 0.00 58.89 60.71 1s4d h TRP 170 Cb 1.03 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 29.21 1s4d h TRP 170 CO 1.27 0.14 -0.94 0.37 -3.56 0.00 0.00 178.44 175.72 1s4d h GLN 171 N 0.00 0.74 -0.58 0.49 5.75 -1.94 -1.95 115.11 117.61 1s4d h GLN 171 Ca -0.00 -0.71 -0.03 0.00 -0.15 0.00 0.00 58.65 57.76 1s4d h GLN 171 Cb 0.44 0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 1s4d h GLN 171 CO 0.02 1.30 0.26 0.78 -2.65 0.00 0.00 178.83 178.53 1s4d h GLY 172 N 0.49 0.92 1.04 2.39 0.00 -1.77 -1.12 103.07 105.01 1s4d h GLY 172 Ca -0.10 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 1s4d h GLY 172 CO 0.19 0.45 0.16 -2.22 0.00 0.00 0.00 176.54 175.12 1s4d h ILE 173 N 0.80 1.26 -0.14 2.60 2.04 -1.54 0.20 117.51 122.73 1s4d h ILE 173 Ca 0.20 -0.93 -0.09 0.00 1.00 0.00 0.00 64.86 65.04 1s4d h ILE 173 Cb 0.16 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1s4d h ILE 173 CO -0.02 0.35 -0.30 0.00 0.00 0.00 0.00 178.15 178.18 1s4d h ALA 174 N 1.06 1.23 0.00 1.87 0.00 -0.51 -0.76 119.26 122.15 1s4d h ALA 174 Ca 0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1s4d h ALA 174 Cb 0.36 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1s4d h ALA 174 CO 0.00 0.51 -1.57 0.43 0.00 0.00 0.00 179.25 178.63 1s4d n SER 175 N -4.11 0.40 -0.01 0.00 7.64 -0.51 -4.48 113.62 112.55 1s4d n SER 175 Ca -0.01 0.16 0.07 0.00 1.01 0.00 0.00 58.87 60.09 1s4d n SER 175 Cb 0.40 1.23 -0.10 0.00 -1.01 0.00 0.00 64.21 64.73 1s4d n SER 175 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s4d n GLY 176 N 1.25 -0.59 2.88 0.23 0.00 0.68 -4.90 105.19 104.74 1s4d n GLY 176 Ca -0.04 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 1s4d n GLY 176 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s4d s SER 177 N -3.48 4.14 0.34 1.61 0.01 -0.30 -4.86 113.70 111.16 1s4d s SER 177 Ca -0.05 -2.95 0.03 0.00 1.31 0.00 0.00 55.95 54.29 1s4d s SER 177 Cb 0.08 -1.47 0.63 0.00 0.21 0.00 0.00 66.02 65.48 1s4d s SER 177 CO 0.54 -0.23 1.97 -0.65 0.41 0.00 0.00 173.24 175.27 1s4d h PRO 178 N 6.50 0.86 -5.66 12.44 0.11 -1.84 -3.37 132.00 141.04 1s4d h PRO 178 Ca -0.05 -0.05 -0.66 0.00 0.11 0.00 0.00 66.00 65.35 1s4d h PRO 178 Cb 0.89 -0.19 -0.09 0.00 0.11 0.00 0.00 31.00 31.72 1s4d h PRO 178 CO 0.63 0.57 -0.51 0.08 -0.21 0.00 0.00 178.00 178.56 1s4d s VAL 179 N -5.76 5.24 -0.12 3.15 1.01 -1.22 -4.40 120.40 118.30 1s4d s VAL 179 Ca -0.10 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.01 1s4d s VAL 179 Cb 0.19 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 33.29 1s4d s VAL 179 CO 0.78 0.60 -0.20 -0.63 0.00 0.00 0.00 175.10 175.64 1s4d s ILE 180 N -0.83 1.86 -0.21 2.22 1.01 -0.30 -2.65 121.20 122.31 1s4d s ILE 180 Ca 0.14 -0.87 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 1s4d s ILE 180 Cb -0.12 -1.65 -0.00 0.00 0.01 0.00 0.00 42.46 40.70 1s4d s ILE 180 CO 0.03 0.51 -0.08 -0.69 0.00 0.00 0.00 174.94 174.71 1s4d s VAL 181 N 0.76 3.11 -0.17 2.92 1.01 0.28 -0.24 120.40 128.08 1s4d s VAL 181 Ca -0.10 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1s4d s VAL 181 Cb -0.16 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.85 1s4d s VAL 181 CO 0.01 0.45 -0.21 -0.04 0.00 0.00 0.00 175.10 175.31 1s4d s MET 182 N 1.35 3.00 -0.06 2.72 -1.94 0.16 -1.70 119.30 122.83 1s4d s MET 182 Ca 0.04 -0.84 -0.07 0.00 -1.71 0.00 0.00 55.69 53.12 1s4d s MET 182 Cb -0.14 -2.53 -0.04 0.00 2.01 0.00 0.00 34.83 34.13 1s4d s MET 182 CO -0.04 -0.15 0.20 0.71 -0.01 0.00 0.00 175.02 175.72 1s4d s TYR 183 N 1.15 3.59 -1.40 -0.03 1.51 0.34 -1.44 117.35 121.09 1s4d s TYR 183 Ca 0.02 0.54 -0.08 0.00 -1.01 0.00 0.00 57.07 56.53 1s4d s TYR 183 Cb -0.14 -1.95 0.04 0.00 -0.11 0.00 0.00 41.96 39.80 1s4d s TYR 183 CO -0.10 0.68 0.98 -1.33 -1.11 0.00 0.00 175.55 174.68 1s4d n MET 184 N 1.55 -6.21 0.00 -0.62 2.81 -1.26 -0.64 117.12 112.75 1s4d n MET 184 Ca -0.16 0.70 0.04 0.00 -1.81 0.00 0.00 57.70 56.47 1s4d n MET 184 Cb 0.54 -5.58 -0.00 0.00 -0.71 0.00 0.00 33.22 27.47 1s4d n MET 184 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s4d n ALA 185 N -4.62 2.76 -0.06 3.04 0.00 -1.26 -2.09 120.51 118.28 1s4d n ALA 185 Ca -0.08 -0.41 -0.11 0.00 0.00 0.00 0.00 53.44 52.84 1s4d n ALA 185 Cb 0.59 -0.30 -0.04 0.00 0.00 0.00 0.00 19.45 19.69 1s4d n ALA 185 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1s4d h MET 186 N 0.94 0.33 0.00 0.00 2.86 -1.90 -1.55 114.93 115.60 1s4d h MET 186 Ca 0.00 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1s4d h MET 186 Cb 0.29 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 1s4d h MET 186 CO 0.00 0.40 -0.00 -0.22 1.06 0.00 0.00 176.91 178.15 1s4d h LYS 187 N 0.18 0.00 -0.12 1.72 3.64 -1.95 -3.03 116.57 117.01 1s4d h LYS 187 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1s4d h LYS 187 Cb 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1s4d h LYS 187 CO -0.00 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.90 1s4d n HIS 188 N -3.63 0.45 -0.23 1.91 8.25 -0.92 -4.80 115.22 116.25 1s4d n HIS 188 Ca -0.03 -0.94 -0.02 0.00 -0.26 0.00 0.00 57.72 56.47 1s4d n HIS 188 Cb 0.08 -0.23 0.09 0.00 1.12 0.00 0.00 29.99 31.05 1s4d n HIS 188 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1s4d h ILE 189 N 0.87 1.00 -0.42 1.59 6.09 -1.17 -1.78 117.51 123.69 1s4d h ILE 189 Ca 0.00 -0.24 0.01 0.00 -1.37 0.00 0.00 64.86 63.26 1s4d h ILE 189 Cb 1.20 0.23 -0.02 0.00 0.47 0.00 0.00 36.82 38.70 1s4d h ILE 189 CO 0.11 0.13 0.27 1.23 -3.07 0.00 0.00 178.15 176.81 1s4d h GLY 190 N 0.71 0.59 0.99 8.18 0.00 -1.87 -1.55 103.07 110.11 1s4d h GLY 190 Ca 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1s4d h GLY 190 CO -0.16 0.20 0.34 0.00 0.00 0.00 0.00 176.54 176.92 1s4d h ALA 191 N 1.16 0.74 0.04 3.60 0.00 -1.79 -2.68 119.26 120.34 1s4d h ALA 191 Ca 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s4d h ALA 191 Cb -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1s4d h ALA 191 CO -0.05 0.24 -0.02 0.82 0.00 0.00 0.00 179.25 180.24 1s4d h ILE 192 N 0.78 1.13 -0.62 0.00 2.04 -1.11 -2.17 117.51 117.56 1s4d h ILE 192 Ca 0.21 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1s4d h ILE 192 Cb 0.01 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1s4d h ILE 192 CO -0.04 0.14 0.29 0.71 0.00 0.00 0.00 178.15 179.25 1s4d h THR 193 N -0.29 1.22 -0.61 -0.27 1.35 -1.31 -0.91 112.91 112.08 1s4d h THR 193 Ca -0.01 -0.62 0.08 0.00 -0.55 0.00 0.00 66.41 65.32 1s4d h THR 193 Cb 0.27 0.48 -0.07 0.00 -1.73 0.00 0.00 68.15 67.10 1s4d h THR 193 CO 0.01 0.25 0.25 0.00 -0.25 0.00 0.00 175.52 175.79 1s4d h ALA 194 N 1.13 0.79 -0.44 6.62 0.00 -1.45 0.79 119.26 126.70 1s4d h ALA 194 Ca 0.21 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1s4d h ALA 194 Cb 0.13 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1s4d h ALA 194 CO -0.03 -0.15 0.16 -0.97 0.00 0.00 0.00 179.25 178.27 1s4d h ASN 195 N 0.46 0.18 -0.47 0.00 -1.24 -0.73 0.49 115.58 114.27 1s4d h ASN 195 Ca 0.30 0.05 -0.12 0.00 0.71 0.00 0.00 56.30 57.24 1s4d h ASN 195 Cb 0.33 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 1s4d h ASN 195 CO -0.27 0.14 -0.16 -0.07 -1.29 0.00 0.00 177.43 175.77 1s4d h LEU 196 N 0.34 0.95 -0.73 0.34 3.38 0.01 -1.64 115.31 117.96 1s4d h LEU 196 Ca 0.20 -0.38 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 1s4d h LEU 196 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1s4d h LEU 196 CO -0.20 1.12 -0.14 0.40 0.09 0.00 0.00 178.44 179.71 1s4d h ILE 197 N 0.78 1.26 0.00 1.22 2.04 -0.72 -1.85 117.51 120.24 1s4d h ILE 197 Ca 0.11 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1s4d h ILE 197 Cb 0.73 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1s4d h ILE 197 CO 0.06 0.42 0.00 0.00 0.00 0.00 0.00 178.15 178.63 1s4d n ALA 198 N -2.49 2.01 1.23 1.87 0.00 0.15 -2.05 120.51 121.22 1s4d n ALA 198 Ca 0.01 -0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1s4d n ALA 198 Cb 0.39 -1.42 0.37 0.00 0.00 0.00 0.00 19.45 18.80 1s4d n ALA 198 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 199 N 0.75 0.44 0.00 0.00 0.00 -0.64 -4.94 105.19 100.80 1s4d n GLY 199 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1s4d n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s4d n GLY 200 N 1.24 1.30 3.77 -0.02 0.00 -0.87 -4.82 105.19 105.78 1s4d n GLY 200 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1s4d n GLY 200 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s4d s ARG 201 N -0.29 4.11 0.26 1.61 1.81 -0.75 -4.94 118.95 120.75 1s4d s ARG 201 Ca 0.00 2.24 -0.29 0.00 -1.72 0.00 0.00 55.73 55.96 1s4d s ARG 201 Cb 0.00 -2.89 -0.09 0.00 -0.45 0.00 0.00 34.95 31.52 1s4d s ARG 201 CO 0.00 -0.41 1.25 0.45 -0.68 0.00 0.00 175.30 175.92 1s4d s SER 202 N -0.56 6.95 1.11 0.23 0.15 -1.26 -4.31 113.70 116.01 1s4d s SER 202 Ca 0.54 2.46 -0.12 0.00 0.70 0.00 0.00 55.95 59.52 1s4d s SER 202 Cb -0.40 -2.63 0.25 0.00 -1.71 0.00 0.00 66.02 61.53 1s4d s SER 202 CO 0.52 -0.43 1.02 -2.65 1.20 0.00 0.00 173.24 172.90 1s4d n PRO 203 N 1.68 -1.90 -1.61 5.44 -0.02 -1.26 -2.17 135.00 135.16 1s4d n PRO 203 Ca 0.02 -0.51 -0.10 0.00 -2.02 0.00 0.00 63.50 60.89 1s4d n PRO 203 Cb 0.43 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1s4d n PRO 203 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1s4d n ASP 204 N -4.67 -2.90 -4.69 2.55 5.68 -1.26 -4.82 116.55 106.45 1s4d n ASP 204 Ca 0.05 0.25 -0.42 0.00 -0.50 0.00 0.00 54.79 54.17 1s4d n ASP 204 Cb 0.54 -2.72 -0.03 0.00 -1.14 0.00 0.00 41.12 37.77 1s4d n ASP 204 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1s4d s GLU 205 N -3.45 4.43 0.18 0.11 2.12 -0.92 -4.81 118.70 116.36 1s4d s GLU 205 Ca 0.00 1.46 -0.32 0.00 0.36 0.00 0.00 54.97 56.47 1s4d s GLU 205 Cb 0.00 -3.53 -0.16 0.00 0.26 0.00 0.00 34.13 30.71 1s4d s GLU 205 CO 0.00 -0.30 1.10 -2.30 -0.54 0.00 0.00 175.26 173.22 1s4d n PRO 206 N 4.84 1.05 -4.15 4.30 -0.02 -1.26 -1.64 135.00 138.12 1s4d n PRO 206 Ca 0.09 0.37 -0.16 0.00 -2.02 0.00 0.00 63.50 61.78 1s4d n PRO 206 Cb 0.49 -1.83 -0.12 0.00 -0.02 0.00 0.00 33.50 32.02 1s4d n PRO 206 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s4d s VAL 207 N -0.33 0.79 -0.02 -1.45 1.01 -0.52 -1.63 120.40 118.26 1s4d s VAL 207 Ca 0.72 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1s4d s VAL 207 Cb -0.86 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 1s4d s VAL 207 CO 0.53 -0.24 -0.09 0.00 0.00 0.00 0.00 175.10 175.31 1s4d s ALA 208 N -1.17 0.79 -0.21 5.51 0.00 -0.03 -1.68 121.76 124.97 1s4d s ALA 208 Ca -0.05 -0.34 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 1s4d s ALA 208 Cb -0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1s4d s ALA 208 CO 0.01 0.15 0.09 -0.06 0.00 0.00 0.00 175.76 175.96 1s4d s PHE 209 N 0.02 3.25 -0.28 0.00 0.08 0.19 -1.05 117.98 120.20 1s4d s PHE 209 Ca -0.00 0.06 0.02 0.00 0.12 0.00 0.00 56.93 57.13 1s4d s PHE 209 Cb -0.06 -2.15 0.07 0.00 -0.57 0.00 0.00 43.02 40.31 1s4d s PHE 209 CO 0.00 0.07 -0.03 0.08 -0.10 0.00 0.00 175.22 175.24 1s4d s VAL 210 N 0.71 1.86 -0.14 -0.44 1.01 0.19 -1.04 120.40 122.55 1s4d s VAL 210 Ca 0.05 -1.66 -0.11 0.00 0.00 0.00 0.00 61.98 60.27 1s4d s VAL 210 Cb -0.13 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1s4d s VAL 210 CO 0.02 -0.26 0.21 0.00 0.00 0.00 0.00 175.10 175.06 1s4d n ASN 212 N 2.80 -3.27 -4.73 0.00 3.02 -0.61 -1.06 115.26 111.42 1s4d n ASN 212 Ca -0.16 -1.17 -0.40 0.00 -0.03 0.00 0.00 54.58 52.81 1s4d n ASN 212 Cb 0.53 -2.36 0.02 0.00 -0.61 0.00 0.00 39.78 37.35 1s4d n ASN 212 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s4d n ALA 213 N -4.65 1.61 -2.83 5.41 0.00 -1.26 -2.78 120.51 116.00 1s4d n ALA 213 Ca -0.16 0.25 -0.16 0.00 0.00 0.00 0.00 53.44 53.37 1s4d n ALA 213 Cb 0.61 -2.32 0.03 0.00 0.00 0.00 0.00 19.45 17.76 1s4d n ALA 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s4d n ALA 214 N -0.25 -0.71 -2.29 0.00 0.00 -1.26 -4.51 120.51 111.49 1s4d n ALA 214 Ca 0.06 0.21 -0.08 0.00 0.00 0.00 0.00 53.44 53.64 1s4d n ALA 214 Cb 0.41 -3.02 -0.10 0.00 0.00 0.00 0.00 19.45 16.73 1s4d n ALA 214 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1s4d s THR 215 N -3.01 0.22 0.57 0.00 -4.23 -1.20 -1.09 115.64 106.89 1s4d s THR 215 Ca 0.23 -1.62 0.30 0.00 -1.18 0.00 0.00 61.69 59.42 1s4d s THR 215 Cb -0.10 -1.25 0.43 0.00 1.34 0.00 0.00 72.50 72.91 1s4d s THR 215 CO 0.29 -0.88 1.87 -0.65 -0.54 0.00 0.00 174.62 174.71 1s4d h PRO 216 N 3.47 0.00 0.00 3.99 0.11 -1.96 -0.80 132.00 136.81 1s4d h PRO 216 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1s4d h PRO 216 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1s4d h PRO 216 CO 0.60 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.35 1s4d h GLN 217 N 0.00 0.00 -3.87 1.05 7.50 -1.94 -3.48 115.11 114.37 1s4d h GLN 217 Ca 0.32 0.00 -0.49 0.00 0.50 0.00 0.00 58.65 58.98 1s4d h GLN 217 Cb 1.47 0.00 0.04 0.00 0.05 0.00 0.00 27.48 29.04 1s4d h GLN 217 CO -0.00 0.00 -0.04 0.94 -1.50 0.00 0.00 178.83 178.23 1s4d n GLN 218 N -2.31 0.00 -3.99 1.46 7.27 -0.31 -4.87 117.38 114.63 1s4d n GLN 218 Ca 0.05 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.98 1s4d n GLN 218 Cb 0.40 -0.90 -0.14 0.00 2.41 0.00 0.00 30.24 32.00 1s4d n GLN 218 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s4d s ALA 219 N -0.13 0.22 -0.08 1.69 0.00 -0.23 -4.99 121.76 118.24 1s4d s ALA 219 Ca 0.55 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.46 1s4d s ALA 219 Cb -0.77 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.27 1s4d s ALA 219 CO 0.37 0.03 -0.13 0.08 0.00 0.00 0.00 175.76 176.11 1s4d s VAL 220 N 0.08 1.26 -0.09 0.00 1.01 -1.26 -0.39 120.40 121.02 1s4d s VAL 220 Ca -0.00 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.48 1s4d s VAL 220 Cb -0.03 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1s4d s VAL 220 CO -0.00 0.39 -0.18 -0.22 0.00 0.00 0.00 175.10 175.08 1s4d s LEU 221 N 0.83 1.87 -0.03 3.92 2.96 -0.21 -4.97 118.68 123.06 1s4d s LEU 221 Ca -0.11 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.34 1s4d s LEU 221 Cb -0.15 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.36 1s4d s LEU 221 CO 0.02 0.09 0.09 -1.61 -1.32 0.00 0.00 176.35 173.62 1s4d s GLU 222 N 0.55 3.14 0.00 1.98 2.02 -1.26 -0.64 118.70 124.48 1s4d s GLU 222 Ca -0.16 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.41 1s4d s GLU 222 Cb -0.17 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.15 1s4d s GLU 222 CO 0.06 0.67 0.00 -2.37 0.02 0.00 0.00 175.26 173.64 1s4d n THR 223 N 1.35 0.00 -3.72 3.63 5.66 -0.68 -5.03 114.28 115.50 1s4d n THR 223 Ca -0.14 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.73 1s4d n THR 223 Cb 0.53 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.24 1s4d n THR 223 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1s4d s THR 224 N -2.16 0.07 0.17 1.09 2.01 -1.26 -1.44 115.64 114.12 1s4d s THR 224 Ca 0.00 -0.56 -0.15 0.00 0.31 0.00 0.00 61.69 61.29 1s4d s THR 224 Cb 0.00 -0.90 0.07 0.00 0.01 0.00 0.00 72.50 71.68 1s4d s THR 224 CO 0.00 -0.31 1.72 -0.07 -0.69 0.00 0.00 174.62 175.27 1s4d h LEU 225 N 3.23 -0.05 -0.86 4.42 3.38 -1.57 0.29 115.31 124.15 1s4d h LEU 225 Ca -0.31 0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.75 1s4d h LEU 225 Cb 1.20 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 42.02 1s4d h LEU 225 CO 0.44 0.01 0.57 0.00 0.09 0.00 0.00 178.44 179.55 1s4d h ALA 226 N 1.33 1.10 -0.01 1.53 0.00 -1.88 -3.22 119.26 118.11 1s4d h ALA 226 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1s4d h ALA 226 Cb 0.26 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1s4d h ALA 226 CO -0.28 0.46 -0.30 0.54 0.00 0.00 0.00 179.25 179.67 1s4d n ARG 227 N -4.51 1.29 -0.16 0.00 1.74 -0.76 -4.53 116.66 109.73 1s4d n ARG 227 Ca 0.10 -0.96 -0.02 0.00 -0.77 0.00 0.00 57.85 56.19 1s4d n ARG 227 Cb 0.04 -1.48 0.07 0.00 -1.02 0.00 0.00 32.46 30.07 1s4d n ARG 227 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s4d h ALA 228 N 3.98 0.58 -0.15 7.54 0.00 -0.47 -2.57 119.26 128.18 1s4d h ALA 228 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1s4d h ALA 228 Cb 0.69 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1s4d h ALA 228 CO 0.00 -0.30 -0.35 1.49 0.00 0.00 0.00 179.25 180.08 1s4d h GLU 229 N 0.25 0.51 -0.46 0.00 4.22 -1.82 -0.63 114.58 116.65 1s4d h GLU 229 Ca 0.26 -0.34 -0.11 0.00 0.08 0.00 0.00 59.36 59.25 1s4d h GLU 229 Cb 0.35 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1s4d h GLU 229 CO -0.33 0.96 -0.13 0.00 -2.18 0.00 0.00 179.01 177.32 1s4d h ALA 230 N 0.55 0.63 -0.01 2.92 0.00 -1.83 -2.83 119.26 118.69 1s4d h ALA 230 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1s4d h ALA 230 Cb 0.96 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1s4d h ALA 230 CO 0.08 0.55 -0.52 -0.40 0.00 0.00 0.00 179.25 178.95 1s4d n ASP 231 N -4.23 1.88 -0.16 0.00 3.85 -0.98 -1.65 116.55 115.26 1s4d n ASP 231 Ca -0.00 -1.44 -0.11 0.00 -0.71 0.00 0.00 54.79 52.53 1s4d n ASP 231 Cb 0.40 0.52 -0.00 0.00 -1.35 0.00 0.00 41.12 40.68 1s4d n ASP 231 CO 0.00 0.00 0.00 1.62 -1.01 0.00 0.00 177.20 177.81 1s4d h VAL 232 N 2.13 1.27 0.03 2.12 3.04 -1.18 -2.11 116.25 121.56 1s4d h VAL 232 Ca 0.00 -1.35 0.01 0.00 -1.01 0.00 0.00 66.70 64.34 1s4d h VAL 232 Cb 0.72 1.13 -0.01 0.00 -2.01 0.00 0.00 31.29 31.13 1s4d h VAL 232 CO 0.00 0.47 -0.06 0.00 -1.01 0.00 0.00 177.57 176.97 1s4d h ALA 233 N 0.86 -0.09 -0.12 3.17 0.00 -1.38 -1.49 119.26 120.22 1s4d h ALA 233 Ca 0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1s4d h ALA 233 Cb 0.77 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1s4d h ALA 233 CO 0.06 -0.56 -0.13 0.00 0.00 0.00 0.00 179.25 178.62 1s4d h ALA 234 N 0.84 1.56 0.00 0.00 0.00 -1.35 -2.12 119.26 118.19 1s4d h ALA 234 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1s4d h ALA 234 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1s4d h ALA 234 CO -0.04 0.32 -0.20 0.00 0.00 0.00 0.00 179.25 179.33 1s4d n ALA 235 N -2.49 2.79 -0.95 0.00 0.00 -0.79 -4.94 120.51 114.13 1s4d n ALA 235 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1s4d n ALA 235 Cb 0.26 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1s4d n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 236 N 1.49 0.44 3.70 0.00 0.00 -0.58 -4.98 105.19 105.26 1s4d n GLY 236 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1s4d n GLY 236 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s4d n LEU 237 N 0.00 5.44 -4.08 0.99 7.99 -1.17 -5.03 117.00 121.14 1s4d n LEU 237 Ca 0.00 0.80 -0.12 0.00 -0.01 0.00 0.00 56.01 56.68 1s4d n LEU 237 Cb 0.11 -1.52 -0.11 0.00 -0.11 0.00 0.00 43.42 41.80 1s4d n LEU 237 CO 0.00 -1.24 -0.40 -1.61 -1.51 0.00 0.00 177.39 172.63 1s4d s GLU 238 N -3.30 0.57 0.64 3.23 2.02 -1.26 -4.96 118.70 115.64 1s4d s GLU 238 Ca 0.81 -0.86 -0.18 0.00 0.02 0.00 0.00 54.97 54.76 1s4d s GLU 238 Cb -0.38 -0.24 -0.02 0.00 0.10 0.00 0.00 34.13 33.59 1s4d s GLU 238 CO 0.42 0.03 1.26 -0.35 0.02 0.00 0.00 175.26 176.63 1s4d n PRO 239 N 1.18 1.12 -2.71 0.39 -0.04 -1.26 -4.32 135.00 129.36 1s4d n PRO 239 Ca -0.21 0.44 -0.42 0.00 -0.04 0.00 0.00 63.50 63.27 1s4d n PRO 239 Cb 0.56 -2.49 -0.04 0.00 -0.04 0.00 0.00 33.50 31.49 1s4d n PRO 239 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1s4d s PRO 240 N -3.26 4.62 0.05 0.54 0.04 -1.26 -4.99 135.00 130.73 1s4d s PRO 240 Ca 0.81 1.45 0.02 0.00 0.04 0.00 0.00 61.00 63.32 1s4d s PRO 240 Cb -0.39 -3.42 -0.03 0.00 0.04 0.00 0.00 34.50 30.71 1s4d s PRO 240 CO 0.42 0.07 -0.08 0.00 0.04 0.00 0.00 177.00 177.44 1s4d s ALA 241 N 0.53 0.61 -0.10 8.56 0.00 -1.26 -1.57 121.76 128.54 1s4d s ALA 241 Ca 0.50 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.63 1s4d s ALA 241 Cb -0.22 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1s4d s ALA 241 CO 0.29 -0.03 -0.02 0.42 0.00 0.00 0.00 175.76 176.42 1s4d s ILE 242 N -1.54 4.15 -0.18 0.00 -1.09 -0.13 -4.20 121.20 118.21 1s4d s ILE 242 Ca -0.08 -0.30 -0.03 0.00 -2.23 0.00 0.00 60.65 58.01 1s4d s ILE 242 Cb -0.09 -2.75 -0.02 0.00 -1.58 0.00 0.00 42.46 38.03 1s4d s ILE 242 CO 0.00 0.58 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.54 1s4d s VAL 243 N -0.63 3.44 -0.05 2.92 1.01 -0.52 -0.64 120.40 125.94 1s4d s VAL 243 Ca 0.10 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.63 1s4d s VAL 243 Cb -0.12 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1s4d s VAL 243 CO 0.02 0.47 -0.18 0.54 0.00 0.00 0.00 175.10 175.95 1s4d s VAL 244 N 0.85 2.72 -0.03 2.92 0.11 -0.21 0.39 120.40 127.15 1s4d s VAL 244 Ca -0.02 -0.85 0.07 0.00 -2.93 0.00 0.00 61.98 58.25 1s4d s VAL 244 Cb -0.15 -2.04 -0.02 0.00 -1.53 0.00 0.00 36.38 32.65 1s4d s VAL 244 CO 0.01 0.58 -0.23 -0.69 -3.33 0.00 0.00 175.10 171.44 1s4d s VAL 245 N -0.60 2.29 0.00 2.04 1.01 0.67 -0.85 120.40 124.97 1s4d s VAL 245 Ca 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1s4d s VAL 245 Cb -0.11 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1s4d s VAL 245 CO 0.01 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1s4d n GLY 246 N 2.40 2.47 0.31 4.51 0.00 -0.65 -1.15 105.19 113.08 1s4d n GLY 246 Ca -0.16 -2.08 0.17 0.00 0.00 0.00 0.00 46.02 43.94 1s4d n GLY 246 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s4d h GLU 247 N 0.00 0.00 -0.03 1.61 4.39 -1.83 -1.56 114.58 117.15 1s4d h GLU 247 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1s4d h GLU 247 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1s4d h GLU 247 CO 0.00 0.00 0.24 -0.39 -1.16 0.00 0.00 179.01 177.70 1s4d h VAL 248 N 0.00 0.05 -0.43 3.13 -1.51 -1.90 -0.49 116.25 115.10 1s4d h VAL 248 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.42 1s4d h VAL 248 Cb 0.03 0.76 -0.02 0.00 -2.13 0.00 0.00 31.29 29.93 1s4d h VAL 248 CO -0.00 0.00 0.03 0.58 -1.23 0.00 0.00 177.57 176.95 1s4d h VAL 249 N 0.00 1.22 0.00 7.19 2.07 -1.62 -1.42 116.25 123.69 1s4d h VAL 249 Ca 0.02 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1s4d h VAL 249 Cb 0.50 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1s4d h VAL 249 CO -0.00 0.30 0.08 0.03 0.02 0.00 0.00 177.57 178.01 1s4d h ARG 250 N 0.65 0.00 0.00 1.57 3.08 -1.30 -2.43 114.38 115.95 1s4d h ARG 250 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1s4d h ARG 250 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1s4d h ARG 250 CO 0.01 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.19 1s4d n LEU 251 N -2.41 0.60 -0.22 3.04 4.77 -0.53 -3.95 117.00 118.29 1s4d n LEU 251 Ca -0.02 0.56 -0.08 0.00 -0.03 0.00 0.00 56.01 56.44 1s4d n LEU 251 Cb 0.12 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1s4d n LEU 251 CO 0.11 -0.15 0.91 -0.09 -1.33 0.00 0.00 177.39 176.84 1s4d h ARG 252 N 0.00 0.99 -0.99 3.23 2.43 -1.49 0.16 114.38 118.70 1s4d h ARG 252 Ca 0.00 -0.24 0.23 0.00 -0.81 0.00 0.00 59.98 59.15 1s4d h ARG 252 Cb 0.66 -0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 29.99 1s4d h ARG 252 CO 0.00 0.91 0.63 0.00 -1.51 0.00 0.00 179.97 180.00 1s4d h ALA 253 N 1.04 2.05 0.13 2.80 0.00 -1.80 -1.63 119.26 121.85 1s4d h ALA 253 Ca 0.19 0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.85 1s4d h ALA 253 Cb 0.37 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1s4d h ALA 253 CO 0.00 -0.42 -1.52 0.00 0.00 0.00 0.00 179.25 177.31 1s4d h ALA 254 N 1.63 0.23 -0.25 0.00 0.00 -1.42 -2.99 119.26 116.45 1s4d h ALA 254 Ca 0.56 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1s4d h ALA 254 Cb 1.24 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1s4d h ALA 254 CO -0.30 1.10 0.00 1.28 0.00 0.00 0.00 179.25 181.33 1s4d n LEU 255 N -3.48 3.29 -3.84 0.00 4.77 0.42 -4.40 117.00 113.75 1s4d n LEU 255 Ca -0.16 -2.58 -0.41 0.00 -0.03 0.00 0.00 56.01 52.83 1s4d n LEU 255 Cb 1.05 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1s4d n LEU 255 CO 0.51 0.69 2.23 -0.67 -1.33 0.00 0.00 177.39 178.82 1s4d n ASP 256 N -0.20 3.24 0.29 -1.43 2.03 -0.66 -4.09 116.55 115.73 1s4d n ASP 256 Ca 0.16 -2.76 0.18 0.00 0.52 0.00 0.00 54.79 52.89 1s4d n ASP 256 Cb 0.66 -1.42 0.85 0.00 -0.72 0.00 0.00 41.12 40.49 1s4d n ASP 256 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1s4d h TRP 257 N 7.42 0.00 0.00 -0.67 5.08 -1.89 -1.91 115.95 123.98 1s4d h TRP 257 Ca 0.45 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.42 1s4d h TRP 257 Cb 0.71 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.87 1s4d h TRP 257 CO 1.33 0.04 0.00 0.82 -1.28 0.00 0.00 178.44 179.34 1s4d h ILE 258 N 0.00 0.00 0.00 0.12 1.08 -1.83 -1.92 117.51 114.96 1s4d h ILE 258 Ca -0.00 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1s4d h ILE 258 Cb 0.33 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 1s4d h ILE 258 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1s4d n GLY 259 N -0.83 0.54 0.00 5.37 0.00 -0.72 -3.71 105.19 105.84 1s4d n GLY 259 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1s4d n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4d n ALA 260 N 1.92 2.35 -0.85 4.61 0.00 -0.72 -0.76 120.51 127.06 1s4d n ALA 260 Ca 0.00 -0.13 -0.16 0.00 0.00 0.00 0.00 53.44 53.15 1s4d n ALA 260 Cb 0.02 -1.35 0.19 0.00 0.00 0.00 0.00 19.45 18.31 1s4d n ALA 260 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s4d n LEU 261 N -0.96 5.99 -2.97 0.00 4.77 -1.24 -4.97 117.00 117.62 1s4d n LEU 261 Ca 0.16 -3.17 -0.22 0.00 -0.03 0.00 0.00 56.01 52.75 1s4d n LEU 261 Cb 0.07 -0.77 0.03 0.00 -2.33 0.00 0.00 43.42 40.42 1s4d n LEU 261 CO 0.12 0.90 -0.04 0.47 -1.33 0.00 0.00 177.39 177.51 1s4d n ASP 262 N -0.64 -5.92 -4.68 -1.43 8.00 0.06 -4.99 116.55 106.96 1s4d n ASP 262 Ca 0.46 -0.26 -0.42 0.00 0.71 0.00 0.00 54.79 55.28 1s4d n ASP 262 Cb 1.42 -4.81 -0.03 0.00 -0.02 0.00 0.00 41.12 37.69 1s4d n ASP 262 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1s4d s GLY 263 N -2.62 1.79 -0.27 0.44 0.00 -1.21 -4.89 107.32 100.55 1s4d s GLY 263 Ca 0.27 0.76 -0.28 0.00 0.00 0.00 0.00 44.72 45.48 1s4d s GLY 263 CO 0.34 2.55 1.71 0.54 0.00 0.00 0.00 173.10 178.24 1s4d n ARG 264 N 5.88 0.46 -2.42 2.90 3.00 -1.26 -4.86 116.66 120.36 1s4d n ARG 264 Ca 0.14 -1.29 -0.38 0.00 -0.01 0.00 0.00 57.85 56.31 1s4d n ARG 264 Cb 0.44 -2.69 -0.03 0.00 0.00 0.00 0.00 32.46 30.18 1s4d n ARG 264 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1s4d s LYS 265 N 6.47 3.20 0.05 5.56 -2.85 -1.26 -4.94 119.74 125.97 1s4d s LYS 265 Ca 0.66 -0.54 -0.04 0.00 -1.00 0.00 0.00 55.97 55.05 1s4d s LYS 265 Cb 0.14 -4.87 -0.02 0.00 -2.06 0.00 0.00 37.83 31.02 1s4d s LYS 265 CO 0.28 -2.44 0.05 -0.51 0.10 0.00 0.00 175.35 172.82 1s4d s LEU 266 N 6.49 2.06 0.00 2.77 1.02 -1.13 -4.73 118.68 125.16 1s4d s LEU 266 Ca 0.49 -0.78 0.00 0.00 0.02 0.00 0.00 54.13 53.86 1s4d s LEU 266 Cb -0.05 0.49 0.00 0.00 0.02 0.00 0.00 46.19 46.65 1s4d s LEU 266 CO 0.02 -0.59 0.00 0.00 0.02 0.00 0.00 176.35 175.80