#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4d n GLY 8 N 0.00 3.04 3.94 0.00 0.00 -1.26 -5.15 105.19 105.77 1s4d n GLY 8 Ca 0.00 -1.65 -0.24 0.00 0.00 0.00 0.00 46.02 44.13 1s4d n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s4d s LEU 9 N -3.50 3.33 0.38 0.99 1.43 -1.26 -5.03 118.68 115.03 1s4d s LEU 9 Ca 0.34 0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 53.53 1s4d s LEU 9 Cb 0.39 -3.20 -0.11 0.00 0.03 0.00 0.00 46.19 43.31 1s4d s LEU 9 CO -0.02 -1.03 1.34 -0.81 0.23 0.00 0.00 176.35 176.06 1s4d n PRO 10 N -2.40 2.21 -2.86 1.29 -0.04 -1.26 -4.98 135.00 126.96 1s4d n PRO 10 Ca 0.05 0.78 -0.36 0.00 -0.04 0.00 0.00 63.50 63.93 1s4d n PRO 10 Cb 0.58 -2.45 -0.06 0.00 -0.04 0.00 0.00 33.50 31.53 1s4d n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s4d s ALA 11 N -1.14 3.21 -0.79 0.55 0.00 -1.26 -4.96 121.76 117.36 1s4d s ALA 11 Ca 0.57 0.42 -0.26 0.00 0.00 0.00 0.00 51.96 52.68 1s4d s ALA 11 Cb -0.52 -3.10 0.03 0.00 0.00 0.00 0.00 23.12 19.54 1s4d s ALA 11 CO 0.61 0.20 1.33 -1.17 0.00 0.00 0.00 175.76 176.73 1s4d s LEU 12 N -2.36 3.23 0.59 0.00 0.20 -1.26 -5.00 118.68 114.08 1s4d s LEU 12 Ca 0.52 -0.63 -0.17 0.00 0.69 0.00 0.00 54.13 54.54 1s4d s LEU 12 Cb -0.16 -2.56 -0.04 0.00 -0.43 0.00 0.00 46.19 43.01 1s4d s LEU 12 CO 0.20 -1.80 1.10 -1.61 -0.29 0.00 0.00 176.35 173.96 1s4d s GLU 13 N 5.64 3.20 0.39 1.98 2.02 -1.26 -4.81 118.70 125.85 1s4d s GLU 13 Ca 0.38 1.44 -0.27 0.00 0.02 0.00 0.00 54.97 56.54 1s4d s GLU 13 Cb -0.07 -2.00 -0.10 0.00 0.10 0.00 0.00 34.13 32.06 1s4d s GLU 13 CO 0.10 -0.94 1.45 0.15 0.02 0.00 0.00 175.26 176.05 1s4d s LYS 14 N -3.69 4.03 0.00 1.61 3.01 -1.26 -2.94 119.74 120.49 1s4d s LYS 14 Ca 0.69 2.50 0.00 0.00 -1.01 0.00 0.00 55.97 58.15 1s4d s LYS 14 Cb -0.21 -2.90 0.00 0.00 -1.01 0.00 0.00 37.83 33.72 1s4d s LYS 14 CO 0.33 -0.57 0.00 0.41 0.51 0.00 0.00 175.35 176.03 1s4d n GLY 15 N 0.52 0.56 3.39 -3.33 0.00 -0.92 -4.93 105.19 100.47 1s4d n GLY 15 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.07 2.87 -0.10 1.61 1.04 -1.15 -4.40 113.70 111.50 1s4d s SER 16 Ca 0.00 -1.04 0.04 0.00 0.48 0.00 0.00 55.95 55.42 1s4d s SER 16 Cb 0.00 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1s4d s SER 16 CO 0.00 -0.13 -0.22 -0.69 0.98 0.00 0.00 173.24 173.18 1s4d s VAL 17 N -2.85 1.89 -0.21 5.02 1.01 -0.56 -1.98 120.40 122.72 1s4d s VAL 17 Ca 0.25 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 1s4d s VAL 17 Cb -0.01 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1s4d s VAL 17 CO 0.10 0.52 0.08 0.26 0.00 0.00 0.00 175.10 176.06 1s4d s TRP 18 N 0.44 3.20 -0.50 5.22 0.52 -0.37 -1.43 118.94 126.02 1s4d s TRP 18 Ca -0.17 -0.04 -0.20 0.00 0.02 0.00 0.00 56.10 55.71 1s4d s TRP 18 Cb -0.17 -2.16 0.05 0.00 -1.15 0.00 0.00 33.47 30.03 1s4d s TRP 18 CO 0.07 -0.02 0.65 -0.51 0.02 0.00 0.00 176.95 177.16 1s4d s LEU 19 N 0.88 4.81 -0.15 2.99 1.02 0.15 -1.15 118.68 127.23 1s4d s LEU 19 Ca 0.04 -0.77 -0.02 0.00 0.02 0.00 0.00 54.13 53.41 1s4d s LEU 19 Cb -0.14 -2.52 -0.02 0.00 0.02 0.00 0.00 46.19 43.53 1s4d s LEU 19 CO 0.03 -0.90 -0.08 -0.69 0.02 0.00 0.00 176.35 174.73 1s4d s VAL 20 N 2.77 3.41 -0.06 -1.59 1.01 0.17 -1.60 120.40 124.52 1s4d s VAL 20 Ca 0.18 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 1s4d s VAL 20 Cb -0.18 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1s4d s VAL 20 CO 0.14 0.50 1.31 -0.83 0.00 0.00 0.00 175.10 176.21 1s4d s GLY 21 N 0.52 1.89 0.00 4.51 0.00 -0.42 -1.01 107.32 112.81 1s4d s GLY 21 Ca -0.06 0.69 0.26 0.00 0.00 0.00 0.00 44.72 45.61 1s4d s GLY 21 CO 0.03 2.42 1.49 0.00 0.00 0.00 0.00 173.10 177.04 1s4d n ALA 22 N 5.67 3.38 -0.05 3.20 0.00 0.83 -4.56 120.51 128.99 1s4d n ALA 22 Ca 0.13 -0.32 0.01 0.00 0.00 0.00 0.00 53.44 53.25 1s4d n ALA 22 Cb 0.45 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.49 -2.22 0.13 0.00 0.00 -0.55 -4.48 105.19 99.57 1s4d n GLY 23 Ca 0.06 -1.50 -0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.85 0.14 132.00 132.03 1s4d h PRO 24 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1s4d h PRO 24 Cb 0.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1s4d h PRO 24 CO 0.00 0.63 0.00 0.41 -0.23 0.00 0.00 178.00 178.81 1s4d n GLY 25 N 0.54 -2.18 3.59 1.56 0.00 -1.26 -4.75 105.19 102.68 1s4d n GLY 25 Ca -0.00 0.71 -0.58 0.00 0.00 0.00 0.00 46.02 46.15 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 1.96 -4.72 1.61 2.03 0.33 -4.50 116.55 113.25 1s4d n ASP 26 Ca 0.00 0.88 -0.32 0.00 0.52 0.00 0.00 54.79 55.87 1s4d n ASP 26 Cb 0.00 -1.10 0.12 0.00 -0.72 0.00 0.00 41.12 39.42 1s4d n ASP 26 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1s4d s PRO 27 N 4.48 1.77 0.00 -0.67 0.04 -1.26 -2.23 135.00 137.13 1s4d s PRO 27 Ca 1.05 1.44 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1s4d s PRO 27 Cb -1.14 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1s4d s PRO 27 CO 0.64 -2.05 0.00 0.41 0.04 0.00 0.00 177.00 176.04 1s4d n GLY 28 N -0.32 2.87 0.05 0.56 0.00 -1.26 -4.61 105.19 102.48 1s4d n GLY 28 Ca 0.11 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 0.16 -4.77 0.99 4.77 -0.95 -4.87 117.00 112.34 1s4d n LEU 29 Ca 0.00 0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.64 1s4d n LEU 29 Cb 0.00 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1s4d n LEU 29 CO 0.00 0.03 1.09 -0.76 -1.33 0.00 0.00 177.39 176.42 1s4d s LEU 30 N -2.26 4.29 0.84 2.23 1.43 -1.26 -4.52 118.68 119.43 1s4d s LEU 30 Ca 0.38 2.94 -0.11 0.00 -1.03 0.00 0.00 54.13 56.31 1s4d s LEU 30 Cb 0.21 -3.73 0.09 0.00 0.03 0.00 0.00 46.19 42.80 1s4d s LEU 30 CO 0.41 -0.87 1.09 0.42 0.23 0.00 0.00 176.35 177.64 1s4d s THR 31 N -1.15 2.97 0.23 5.49 -4.23 -1.26 -4.86 115.64 112.82 1s4d s THR 31 Ca 0.54 0.31 -0.08 0.00 -1.18 0.00 0.00 61.69 61.28 1s4d s THR 31 Cb -0.44 -2.83 0.20 0.00 1.34 0.00 0.00 72.50 70.77 1s4d s THR 31 CO 0.59 -0.41 1.89 -0.07 -0.54 0.00 0.00 174.62 176.09 1s4d h LEU 32 N -1.34 0.97 -0.81 4.79 3.38 -1.97 -1.07 115.31 119.25 1s4d h LEU 32 Ca -0.47 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 57.58 1s4d h LEU 32 Cb 1.26 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 1s4d h LEU 32 CO 0.54 0.69 0.46 0.45 0.09 0.00 0.00 178.44 180.67 1s4d h HIS 33 N 1.14 0.82 0.01 1.13 3.86 -1.98 0.37 115.15 120.51 1s4d h HIS 33 Ca 0.33 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1s4d h HIS 33 Cb -0.09 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.14 1s4d h HIS 33 CO -0.01 0.32 -0.01 0.00 0.86 0.00 0.00 177.93 179.09 1s4d h ALA 34 N 1.46 -0.02 -0.29 2.45 0.00 -1.59 0.02 119.26 121.30 1s4d h ALA 34 Ca 0.40 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1s4d h ALA 34 Cb 0.39 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1s4d h ALA 34 CO -0.26 -0.42 0.18 0.00 0.00 0.00 0.00 179.25 178.75 1s4d h ALA 35 N 0.77 0.36 -0.26 0.00 0.00 -0.80 0.86 119.26 120.20 1s4d h ALA 35 Ca -0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1s4d h ALA 35 Cb 0.20 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1s4d h ALA 35 CO 0.00 -0.19 -0.15 -0.97 0.00 0.00 0.00 179.25 177.94 1s4d h ASN 36 N 0.36 -0.51 -0.38 0.00 -1.24 -0.12 -2.20 115.58 111.49 1s4d h ASN 36 Ca 0.11 0.11 0.04 0.00 0.71 0.00 0.00 56.30 57.27 1s4d h ASN 36 Cb -0.02 0.27 -0.04 0.00 0.73 0.00 0.00 38.32 39.26 1s4d h ASN 36 CO -0.04 -0.19 0.17 0.00 -1.29 0.00 0.00 177.43 176.08 1s4d h ALA 37 N 1.06 0.46 -1.06 1.57 0.00 -0.38 -2.11 119.26 118.80 1s4d h ALA 37 Ca 0.14 0.03 0.28 0.00 0.00 0.00 0.00 54.91 55.36 1s4d h ALA 37 Cb 0.34 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 1s4d h ALA 37 CO -0.34 -0.21 0.67 -0.07 0.00 0.00 0.00 179.25 179.30 1s4d h LEU 38 N 0.35 0.47 -0.26 0.00 -0.00 -0.35 0.73 115.31 116.25 1s4d h LEU 38 Ca 0.17 0.11 -0.11 0.00 -0.00 0.00 0.00 57.88 58.04 1s4d h LEU 38 Cb 0.10 0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.78 1s4d h LEU 38 CO -0.14 0.05 -0.53 0.03 -0.00 0.00 0.00 178.44 177.84 1s4d h ARG 39 N 0.39 0.00 0.00 1.13 -0.00 -0.80 -3.20 114.38 111.90 1s4d h ARG 39 Ca 0.64 0.00 -0.25 0.00 -0.50 0.00 0.00 59.98 59.87 1s4d h ARG 39 Cb 1.58 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.51 1s4d h ARG 39 CO -0.36 0.53 -2.10 0.94 0.00 0.00 0.00 179.97 178.98 1s4d n GLN 40 N -3.33 0.67 -1.84 0.04 7.27 -0.27 -4.07 117.38 115.85 1s4d n GLN 40 Ca 0.01 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.70 1s4d n GLN 40 Cb 0.70 -1.58 0.04 0.00 2.41 0.00 0.00 30.24 31.80 1s4d n GLN 40 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s4d s ALA 41 N -2.81 2.79 -0.08 1.69 0.00 0.09 -4.89 121.76 118.55 1s4d s ALA 41 Ca -0.08 1.27 -0.05 0.00 0.00 0.00 0.00 51.96 53.10 1s4d s ALA 41 Cb 0.08 -3.54 -0.27 0.00 0.00 0.00 0.00 23.12 19.39 1s4d s ALA 41 CO 0.85 -1.30 0.53 -0.44 0.00 0.00 0.00 175.76 175.39 1s4d h ASP 42 N 1.43 0.40 -3.40 0.00 3.32 -0.98 -3.44 116.42 113.75 1s4d h ASP 42 Ca -0.51 -0.78 -0.33 0.00 0.02 0.00 0.00 57.03 55.43 1s4d h ASP 42 Cb 1.30 -0.13 -0.36 0.00 0.22 0.00 0.00 39.33 40.35 1s4d h ASP 42 CO 0.57 1.69 -0.73 0.54 -1.72 0.00 0.00 179.24 179.59 1s4d s VAL 43 N -2.57 -0.09 -0.37 -1.35 0.11 -1.18 -1.49 120.40 113.45 1s4d s VAL 43 Ca -0.17 0.32 -0.12 0.00 -2.93 0.00 0.00 61.98 59.08 1s4d s VAL 43 Cb 0.07 -0.13 0.01 0.00 -1.53 0.00 0.00 36.38 34.80 1s4d s VAL 43 CO 0.80 0.13 0.24 -0.63 -3.33 0.00 0.00 175.10 172.32 1s4d s ILE 44 N 1.64 4.95 -0.43 7.04 1.01 0.15 -2.00 121.20 133.56 1s4d s ILE 44 Ca -0.02 -0.60 -0.13 0.00 0.00 0.00 0.00 60.65 59.90 1s4d s ILE 44 Cb -0.12 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.72 1s4d s ILE 44 CO -0.03 -0.17 0.31 -0.69 0.00 0.00 0.00 174.94 174.36 1s4d s VAL 45 N 1.64 4.89 0.31 2.92 1.01 0.54 -0.55 120.40 131.15 1s4d s VAL 45 Ca 0.04 -1.03 0.09 0.00 0.00 0.00 0.00 61.98 61.08 1s4d s VAL 45 Cb -0.18 -3.87 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 1s4d s VAL 45 CO 0.08 -0.45 -0.11 -1.38 0.00 0.00 0.00 175.10 173.24 1s4d s HIS 46 N 1.58 2.22 0.68 5.22 -3.43 -0.13 -1.68 115.29 119.75 1s4d s HIS 46 Ca 0.04 -0.52 0.03 0.00 -0.80 0.00 0.00 55.06 53.80 1s4d s HIS 46 Cb -0.22 -1.19 0.12 0.00 -1.43 0.00 0.00 32.58 29.86 1s4d s HIS 46 CO 0.06 0.52 0.94 -0.51 -2.00 0.00 0.00 174.74 173.75 1s4d s ASP 47 N -3.53 4.52 0.00 7.38 -0.00 -1.23 -0.23 116.67 123.59 1s4d s ASP 47 Ca 0.31 -0.57 0.00 0.00 -0.00 0.00 0.00 52.55 52.29 1s4d s ASP 47 Cb 0.01 0.18 0.00 0.00 -0.00 0.00 0.00 42.92 43.11 1s4d s ASP 47 CO 0.14 -1.75 0.00 0.00 -0.00 0.00 0.00 175.17 173.57 1s4d n ALA 48 N -2.67 0.00 -2.65 5.23 0.00 -1.26 -4.86 120.51 114.30 1s4d n ALA 48 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.20 1s4d n ALA 48 Cb 0.61 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.99 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 0.00 4.12 0.22 0.00 1.43 -1.26 -4.87 118.68 118.32 1s4d s LEU 49 Ca 0.00 0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 53.73 1s4d s LEU 49 Cb 0.00 -2.78 0.31 0.00 0.03 0.00 0.00 46.19 43.75 1s4d s LEU 49 CO 0.00 -0.25 1.80 0.58 0.23 0.00 0.00 176.35 178.71 1s4d h VAL 50 N 5.22 0.93 -3.88 -1.59 2.07 -1.89 -3.42 116.25 113.70 1s4d h VAL 50 Ca -0.31 -0.24 -0.60 0.00 0.82 0.00 0.00 66.70 66.36 1s4d h VAL 50 Cb 1.14 0.16 -0.22 0.00 -1.52 0.00 0.00 31.29 30.85 1s4d h VAL 50 CO 0.75 0.13 -0.84 0.21 0.02 0.00 0.00 177.57 177.84 1s4d s ASN 51 N -5.59 2.82 -0.01 0.57 3.84 -1.26 -5.03 114.94 110.28 1s4d s ASN 51 Ca -0.13 -0.72 0.12 0.00 0.21 0.00 0.00 52.86 52.34 1s4d s ASN 51 Cb 0.18 -0.17 -0.17 0.00 -0.55 0.00 0.00 41.25 40.54 1s4d s ASN 51 CO 0.77 0.10 0.31 1.21 -2.79 0.00 0.00 177.10 176.69 1s4d n GLU 52 N 0.97 1.05 0.25 0.43 4.07 -1.26 -4.68 120.64 121.47 1s4d n GLU 52 Ca -0.19 -0.08 0.18 0.00 -0.06 0.00 0.00 57.16 57.01 1s4d n GLU 52 Cb 0.54 -1.22 0.89 0.00 -0.06 0.00 0.00 31.44 31.59 1s4d n GLU 52 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1s4d h ASP 53 N 0.00 0.00 0.57 4.31 3.32 -1.97 -1.83 116.42 120.82 1s4d h ASP 53 Ca 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1s4d h ASP 53 Cb 0.47 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1s4d h ASP 53 CO 0.00 0.00 -0.53 0.00 -1.72 0.00 0.00 179.24 176.99 1s4d h LEU 55 N 0.00 0.00 -0.76 0.00 3.38 -1.68 -2.51 115.31 113.74 1s4d h LEU 55 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1s4d h LEU 55 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1s4d h LEU 55 CO 0.07 0.05 0.20 0.29 0.09 0.00 0.00 178.44 179.14 1s4d n LYS 56 N -3.50 0.08 0.10 1.13 4.76 -0.88 -1.05 118.16 118.78 1s4d n LYS 56 Ca -0.02 0.53 0.12 0.00 -2.87 0.00 0.00 58.31 56.07 1s4d n LYS 56 Cb 0.17 -1.95 0.19 0.00 -1.84 0.00 0.00 35.03 31.60 1s4d n LYS 56 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1s4d h LEU 57 N 0.00 0.00 -9.59 -0.35 4.07 -1.66 -3.46 115.31 104.32 1s4d h LEU 57 Ca 0.00 -0.11 -0.59 0.00 0.08 0.00 0.00 57.88 57.26 1s4d h LEU 57 Cb 0.40 0.00 0.10 0.00 1.08 0.00 0.00 40.66 42.23 1s4d h LEU 57 CO 0.00 0.06 0.45 0.00 -1.08 0.00 0.00 178.44 177.87 1s4d n ALA 58 N -1.91 0.70 -1.08 1.53 0.00 -0.22 -3.64 120.51 115.90 1s4d n ALA 58 Ca 0.03 0.40 -0.34 0.00 0.00 0.00 0.00 53.44 53.53 1s4d n ALA 58 Cb 0.47 -2.19 0.11 0.00 0.00 0.00 0.00 19.45 17.83 1s4d n ALA 58 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1s4d n ARG 59 N 1.30 0.10 -0.00 0.00 1.85 -1.23 -4.83 116.66 113.86 1s4d n ARG 59 Ca 0.09 0.10 -0.00 0.00 -1.00 0.00 0.00 57.85 57.04 1s4d n ARG 59 Cb 0.32 -2.14 -0.00 0.00 -1.05 0.00 0.00 32.46 29.59 1s4d n ARG 59 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1s4d n PRO 60 N -2.25 -0.00 -3.70 2.89 -0.01 -1.26 -2.30 135.00 128.37 1s4d n PRO 60 Ca 0.11 0.08 -0.28 0.00 -0.01 0.00 0.00 63.50 63.41 1s4d n PRO 60 Cb 0.51 -0.12 -0.11 0.00 -0.01 0.00 0.00 33.50 33.77 1s4d n PRO 60 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1s4d n GLY 61 N -1.00 3.55 3.93 -1.23 0.00 -1.26 -5.08 105.19 104.10 1s4d n GLY 61 Ca 0.00 -2.23 -0.25 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.15 3.65 -0.15 4.61 0.00 -0.97 -5.08 121.76 122.67 1s4d s ALA 62 Ca 0.29 -0.81 -0.19 0.00 0.00 0.00 0.00 51.96 51.25 1s4d s ALA 62 Cb 0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 1s4d s ALA 62 CO -0.16 -0.02 0.54 0.08 0.00 0.00 0.00 175.76 176.19 1s4d s VAL 63 N -2.34 5.12 -0.28 0.00 1.01 -0.55 -4.95 120.40 118.41 1s4d s VAL 63 Ca 0.41 1.05 -0.11 0.00 0.00 0.00 0.00 61.98 63.33 1s4d s VAL 63 Cb -0.10 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1s4d s VAL 63 CO 0.36 0.24 0.18 -0.76 0.00 0.00 0.00 175.10 175.13 1s4d s LEU 64 N 1.11 3.98 -0.11 3.92 1.02 -1.26 0.35 118.68 127.69 1s4d s LEU 64 Ca 0.27 -0.02 0.01 0.00 0.02 0.00 0.00 54.13 54.41 1s4d s LEU 64 Cb -0.16 -2.11 0.02 0.00 0.02 0.00 0.00 46.19 43.96 1s4d s LEU 64 CO 0.11 -0.05 -0.15 -0.70 0.02 0.00 0.00 176.35 175.59 1s4d s GLU 65 N 1.75 2.15 -0.12 1.70 2.12 0.28 -4.97 118.70 121.61 1s4d s GLU 65 Ca 0.07 -0.53 -0.26 0.00 0.36 0.00 0.00 54.97 54.61 1s4d s GLU 65 Cb -0.16 -1.86 -0.02 0.00 0.26 0.00 0.00 34.13 32.35 1s4d s GLU 65 CO 0.11 -0.08 0.82 0.12 -0.54 0.00 0.00 175.26 175.69 1s4d s PHE 66 N 1.05 3.50 0.35 5.30 5.36 -1.26 -0.95 117.98 131.33 1s4d s PHE 66 Ca -0.05 1.33 0.04 0.00 -0.96 0.00 0.00 56.93 57.28 1s4d s PHE 66 Cb -0.15 -2.98 0.66 0.00 -0.34 0.00 0.00 43.02 40.21 1s4d s PHE 66 CO -0.02 -0.12 1.95 0.00 -1.46 0.00 0.00 175.22 175.56 1s4d h ALA 67 N 7.10 1.48 0.00 11.12 0.00 -0.95 -3.47 119.26 134.54 1s4d h ALA 67 Ca -0.34 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1s4d h ALA 67 Cb 1.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1s4d h ALA 67 CO 0.80 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.86 1s4d n GLY 68 N -1.15 -1.62 0.00 0.00 0.00 -1.26 -4.81 105.19 96.35 1s4d n GLY 68 Ca 0.03 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1s4d n GLY 68 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s4d n PRO 74 N -0.18 0.00 -1.20 1.61 -0.02 -1.26 -4.84 135.00 129.12 1s4d n PRO 74 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 1s4d n PRO 74 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 33.57 1s4d n PRO 74 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1s4d n SER 75 N 0.00 -0.36 -4.81 2.55 2.88 -1.26 -5.03 113.62 107.59 1s4d n SER 75 Ca 0.00 0.58 -0.38 0.00 -1.33 0.00 0.00 58.87 57.74 1s4d n SER 75 Cb 0.00 -1.33 -0.06 0.00 -0.75 0.00 0.00 64.21 62.07 1s4d n SER 75 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1s4d s PRO 76 N -3.31 4.00 0.79 -1.46 0.05 -1.26 -5.10 135.00 128.71 1s4d s PRO 76 Ca 0.68 0.40 -0.10 0.00 0.05 0.00 0.00 61.00 62.03 1s4d s PRO 76 Cb -0.32 -3.26 0.07 0.00 0.05 0.00 0.00 34.50 31.04 1s4d s PRO 76 CO 0.55 0.59 1.10 0.21 0.05 0.00 0.00 177.00 179.50 1s4d s LYS 77 N -0.75 2.07 0.30 4.56 2.47 -1.26 -4.92 119.74 122.21 1s4d s LYS 77 Ca 0.24 1.21 0.01 0.00 -1.56 0.00 0.00 55.97 55.86 1s4d s LYS 77 Cb -0.16 -1.87 0.53 0.00 -1.46 0.00 0.00 37.83 34.86 1s4d s LYS 77 CO 0.12 -1.79 1.89 0.37 0.16 0.00 0.00 175.35 176.11 1s4d h GLN 78 N -1.24 1.00 -0.22 4.03 5.75 -2.00 -2.23 115.11 120.20 1s4d h GLN 78 Ca -0.44 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 57.98 1s4d h GLN 78 Cb 1.24 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 1s4d h GLN 78 CO 0.50 0.66 0.01 -0.09 -2.65 0.00 0.00 178.83 177.27 1s4d h ARG 79 N 1.03 0.32 0.19 1.69 2.43 -1.99 -1.06 114.38 117.00 1s4d h ARG 79 Ca 0.42 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.53 1s4d h ARG 79 Cb 0.27 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1s4d h ARG 79 CO -0.17 0.34 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.09 1s4d h ASP 80 N 0.32 -0.22 -0.59 -3.80 3.32 -1.77 0.78 116.42 114.46 1s4d h ASP 80 Ca 0.07 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.10 1s4d h ASP 80 Cb 0.20 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1s4d h ASP 80 CO 0.00 -0.11 0.38 0.40 -1.72 0.00 0.00 179.24 178.20 1s4d h ILE 81 N -0.32 1.12 -0.15 0.35 2.04 -1.42 -1.18 117.51 117.96 1s4d h ILE 81 Ca -0.03 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1s4d h ILE 81 Cb 0.24 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1s4d h ILE 81 CO 0.04 0.14 0.07 0.28 0.00 0.00 0.00 178.15 178.69 1s4d h SER 82 N 0.77 0.11 0.04 1.72 0.02 -1.05 -1.91 113.55 113.25 1s4d h SER 82 Ca 0.22 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1s4d h SER 82 Cb -0.05 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1s4d h SER 82 CO -0.07 0.09 -0.22 -0.07 -1.14 0.00 0.00 176.83 175.42 1s4d h LEU 83 N 0.16 0.31 -0.73 5.07 3.38 -0.71 -1.93 115.31 120.86 1s4d h LEU 83 Ca 0.06 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1s4d h LEU 83 Cb 0.01 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1s4d h LEU 83 CO -0.04 0.54 0.45 -0.09 0.09 0.00 0.00 178.44 179.39 1s4d h ARG 84 N 0.29 0.98 -0.95 1.13 9.65 -0.90 -2.17 114.38 122.41 1s4d h ARG 84 Ca 0.05 -0.08 0.03 0.00 -1.10 0.00 0.00 59.98 58.88 1s4d h ARG 84 Cb 0.55 -0.21 -0.05 0.00 -1.39 0.00 0.00 29.97 28.87 1s4d h ARG 84 CO 0.04 0.69 0.63 -0.07 2.80 0.00 0.00 179.97 184.05 1s4d h LEU 85 N 0.99 1.05 -0.53 3.80 3.38 -0.57 -0.79 115.31 122.64 1s4d h LEU 85 Ca 0.26 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.06 1s4d h LEU 85 Cb -0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1s4d h LEU 85 CO -0.05 0.72 -0.65 -0.37 0.09 0.00 0.00 178.44 178.18 1s4d h VAL 86 N 1.22 1.38 -0.19 1.22 -1.51 -1.14 -1.11 116.25 116.12 1s4d h VAL 86 Ca 0.38 -2.03 -0.21 0.00 -1.23 0.00 0.00 66.70 63.61 1s4d h VAL 86 Cb -0.01 2.02 0.01 0.00 -2.13 0.00 0.00 31.29 31.17 1s4d h VAL 86 CO -0.11 0.61 -0.68 -0.08 -1.23 0.00 0.00 177.57 176.07 1s4d h GLU 87 N 0.25 0.80 -0.36 5.19 4.81 -1.11 0.15 114.58 124.30 1s4d h GLU 87 Ca -0.01 -0.61 0.08 0.00 -0.13 0.00 0.00 59.36 58.69 1s4d h GLU 87 Cb 1.19 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 30.60 1s4d h GLU 87 CO 0.11 1.22 -0.18 -0.07 -0.73 0.00 0.00 179.01 179.35 1s4d h LEU 88 N 0.54 -0.62 -0.41 1.64 4.07 -1.09 -2.81 115.31 116.61 1s4d h LEU 88 Ca -0.03 0.14 -0.12 0.00 0.08 0.00 0.00 57.88 57.95 1s4d h LEU 88 Cb 1.31 0.34 -0.01 0.00 1.08 0.00 0.00 40.66 43.38 1s4d h LEU 88 CO 0.14 -0.22 -0.20 0.00 -1.08 0.00 0.00 178.44 177.08 1s4d h ALA 89 N 1.12 0.58 0.00 1.53 0.00 -0.91 -2.82 119.26 118.77 1s4d h ALA 89 Ca 0.18 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1s4d h ALA 89 Cb 0.40 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1s4d h ALA 89 CO -0.44 0.55 -0.03 0.00 0.00 0.00 0.00 179.25 179.33 1s4d h ARG 90 N 0.69 0.00 -0.01 0.00 3.08 -0.65 -0.53 114.38 116.96 1s4d h ARG 90 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1s4d h ARG 90 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1s4d h ARG 90 CO 0.06 0.03 -0.22 0.00 -1.07 0.00 0.00 179.97 178.77 1s4d n ALA 91 N -2.14 2.99 -0.20 0.04 0.00 -1.07 -4.93 120.51 115.20 1s4d n ALA 91 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1s4d n ALA 91 Cb 0.18 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.34 0.88 3.77 0.00 0.00 -0.21 -5.02 105.19 105.95 1s4d n GLY 92 Ca 0.12 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.13 7.04 -0.47 1.61 -0.87 -1.08 -4.00 114.94 115.05 1s4d s ASN 93 Ca 0.00 2.16 -0.28 0.00 -1.57 0.00 0.00 52.86 53.17 1s4d s ASN 93 Cb 0.00 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.62 1s4d s ASN 93 CO 0.00 -0.30 1.57 -0.13 -2.57 0.00 0.00 177.10 175.67 1s4d s ARG 94 N -1.90 3.30 -0.20 -0.60 0.52 -1.26 -2.18 118.95 116.63 1s4d s ARG 94 Ca 0.50 0.85 -0.07 0.00 -0.52 0.00 0.00 55.73 56.50 1s4d s ARG 94 Cb -0.28 -4.15 -0.04 0.00 0.52 0.00 0.00 34.95 31.01 1s4d s ARG 94 CO 0.35 -1.92 0.05 0.08 0.02 0.00 0.00 175.30 173.88 1s4d s VAL 95 N 6.48 4.51 -0.25 3.52 1.01 -0.84 -0.26 120.40 134.57 1s4d s VAL 95 Ca 0.64 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.50 1s4d s VAL 95 Cb -0.15 -3.05 0.04 0.00 0.00 0.00 0.00 36.38 33.23 1s4d s VAL 95 CO 0.29 0.43 -0.09 -0.22 0.00 0.00 0.00 175.10 175.51 1s4d s LEU 96 N 0.72 3.30 -0.47 3.92 2.96 -0.85 -1.24 118.68 127.03 1s4d s LEU 96 Ca 0.02 -1.15 -0.20 0.00 -0.22 0.00 0.00 54.13 52.58 1s4d s LEU 96 Cb -0.14 -1.60 0.04 0.00 0.50 0.00 0.00 46.19 44.99 1s4d s LEU 96 CO 0.02 -0.16 0.65 -0.60 -1.32 0.00 0.00 176.35 174.94 1s4d s ARG 97 N 1.21 3.21 -0.24 1.98 6.06 -0.30 -0.34 118.95 130.53 1s4d s ARG 97 Ca -0.04 -0.57 -0.18 0.00 -2.50 0.00 0.00 55.73 52.43 1s4d s ARG 97 Cb -0.18 -4.01 -0.03 0.00 0.06 0.00 0.00 34.95 30.79 1s4d s ARG 97 CO -0.05 -1.12 0.53 -0.51 -2.50 0.00 0.00 175.30 171.65 1s4d s LEU 98 N 2.81 4.08 0.10 -0.88 1.43 -0.68 0.44 118.68 125.98 1s4d s LEU 98 Ca 0.20 0.58 0.09 0.00 -1.03 0.00 0.00 54.13 53.97 1s4d s LEU 98 Cb -0.16 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 1s4d s LEU 98 CO 0.16 -0.27 -0.21 -0.54 0.23 0.00 0.00 176.35 175.73 1s4d s LYS 99 N 2.14 1.75 0.52 1.70 1.02 -0.18 -3.52 119.74 123.17 1s4d s LYS 99 Ca 0.22 -1.18 -0.22 0.00 0.02 0.00 0.00 55.97 54.82 1s4d s LYS 99 Cb -0.16 -2.07 -0.06 0.00 -0.52 0.00 0.00 37.83 35.03 1s4d s LYS 99 CO 0.09 0.49 1.29 0.20 -0.92 0.00 0.00 175.35 176.50 1s4d s GLY 100 N -1.91 2.85 0.00 -3.33 0.00 -1.26 -0.12 107.32 103.55 1s4d s GLY 100 Ca 0.16 1.19 0.00 0.00 0.00 0.00 0.00 44.72 46.07 1s4d s GLY 100 CO 0.08 1.69 0.00 0.61 0.00 0.00 0.00 173.10 175.48 1s4d n GLY 101 N 0.62 3.08 3.66 0.20 0.00 0.04 -4.55 105.19 108.24 1s4d n GLY 101 Ca 0.09 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 5.33 0.67 1.61 2.15 -1.25 -1.48 116.67 119.69 1s4d s ASP 102 Ca 0.00 0.11 0.43 0.00 0.43 0.00 0.00 52.55 53.52 1s4d s ASP 102 Cb 0.00 -1.67 2.35 0.00 -0.30 0.00 0.00 42.92 43.31 1s4d s ASP 102 CO 0.00 0.31 2.33 -0.65 -0.17 0.00 0.00 175.17 176.98 1s4d h PRO 103 N 5.70 0.00 -0.10 4.34 0.11 -1.83 -2.64 132.00 137.59 1s4d h PRO 103 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1s4d h PRO 103 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1s4d h PRO 103 CO 0.59 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.57 1s4d n PHE 104 N -3.05 0.12 -3.10 0.65 0.99 -1.26 -2.25 117.46 109.55 1s4d n PHE 104 Ca -0.03 -0.14 -0.38 0.00 -0.00 0.00 0.00 57.45 56.90 1s4d n PHE 104 Cb 0.10 -0.01 -0.02 0.00 -1.00 0.00 0.00 39.48 38.56 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 0.50 4.47 -1.06 -4.37 0.31 -1.00 -4.72 118.33 112.47 1s4d n VAL 105 Ca 0.07 -5.73 0.00 0.00 -0.01 0.00 0.00 64.34 58.67 1s4d n VAL 105 Cb 0.29 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 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 1.05 0.00 -1.60 3.52 0.99 -1.26 -4.79 117.46 115.38 1s4d n PHE 106 Ca 0.28 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.80 1s4d n PHE 106 Cb 0.35 -0.47 0.12 0.00 -1.00 0.00 0.00 39.48 38.49 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 -0.60 3.74 2.52 1.37 0.00 -1.26 -4.99 105.19 105.97 1s4d n GLY 107 Ca 0.00 -0.98 -0.05 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.83 -1.78 -0.24 1.61 1.74 -1.26 -4.82 116.66 111.08 1s4d n ARG 108 Ca 0.13 0.53 -0.06 0.00 -0.77 0.00 0.00 57.85 57.68 1s4d n ARG 108 Cb 0.74 -4.56 0.05 0.00 -1.02 0.00 0.00 32.46 27.66 1s4d n ARG 108 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1s4d h GLY 109 N 0.00 1.03 0.92 -0.13 0.00 -1.83 0.22 103.07 103.29 1s4d h GLY 109 Ca -0.10 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 46.75 1s4d h GLY 109 CO 0.15 0.48 0.35 -1.33 0.00 0.00 0.00 176.54 176.18 1s4d h GLY 110 N 0.94 0.78 0.81 4.60 0.00 -1.88 0.11 103.07 108.44 1s4d h GLY 110 Ca 0.23 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.31 1s4d h GLY 110 CO -0.03 0.24 -0.09 0.83 0.00 0.00 0.00 176.54 177.49 1s4d h GLU 111 N 0.69 -0.16 -0.15 4.80 5.08 -1.67 -0.70 114.58 122.47 1s4d h GLU 111 Ca 0.22 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1s4d h GLU 111 Cb -0.02 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1s4d h GLU 111 CO -0.08 -0.11 0.03 0.93 -1.00 0.00 0.00 179.01 178.79 1s4d h GLU 112 N -0.17 0.10 -0.83 2.33 5.08 -0.17 -2.85 114.58 118.07 1s4d h GLU 112 Ca 0.02 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1s4d h GLU 112 Cb 0.19 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 1s4d h GLU 112 CO -0.07 0.06 0.51 0.00 -1.00 0.00 0.00 179.01 178.52 1s4d h ALA 113 N 1.10 1.13 -0.66 3.43 0.00 -0.37 -0.93 119.26 122.96 1s4d h ALA 113 Ca 0.07 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1s4d h ALA 113 Cb 0.05 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 1s4d h ALA 113 CO -0.08 0.25 0.29 -0.07 0.00 0.00 0.00 179.25 179.64 1s4d h LEU 114 N 0.94 0.35 -0.73 0.00 3.38 -0.93 0.23 115.31 118.54 1s4d h LEU 114 Ca 0.36 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.35 1s4d h LEU 114 Cb 0.16 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1s4d h LEU 114 CO -0.17 0.20 0.25 0.74 0.09 0.00 0.00 178.44 179.55 1s4d h THR 115 N 0.51 1.26 -0.24 0.22 2.02 -1.07 0.24 112.91 115.84 1s4d h THR 115 Ca 0.33 -0.86 0.05 0.00 0.77 0.00 0.00 66.41 66.70 1s4d h THR 115 Cb 0.38 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 1s4d h THR 115 CO -0.29 0.34 -0.09 -0.07 0.37 0.00 0.00 175.52 175.78 1s4d h LEU 116 N 1.06 -0.32 -0.71 2.58 4.07 0.28 -2.40 115.31 119.87 1s4d h LEU 116 Ca 0.24 0.08 0.02 0.00 0.08 0.00 0.00 57.88 58.31 1s4d h LEU 116 Cb 0.27 0.19 -0.04 0.00 1.08 0.00 0.00 40.66 42.16 1s4d h LEU 116 CO -0.01 -0.12 0.46 0.58 -1.08 0.00 0.00 178.44 178.26 1s4d h VAL 117 N -0.05 1.12 -0.61 1.22 2.07 0.11 -1.43 116.25 118.69 1s4d h VAL 117 Ca 0.12 -0.31 0.17 0.00 0.82 0.00 0.00 66.70 67.50 1s4d h VAL 117 Cb 0.24 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1s4d h VAL 117 CO -0.27 0.16 0.43 -0.08 0.02 0.00 0.00 177.57 177.83 1s4d h GLU 118 N 0.90 0.06 -0.32 1.57 4.81 -0.09 -2.28 114.58 119.24 1s4d h GLU 118 Ca 0.28 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.41 1s4d h GLU 118 Cb -0.02 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 1s4d h GLU 118 CO -0.09 0.04 -0.01 0.72 -0.73 0.00 0.00 179.01 178.94 1s4d n HIS 119 N -4.38 1.05 -3.71 0.92 8.25 -0.65 -4.97 115.22 111.74 1s4d n HIS 119 Ca 0.11 -1.22 -0.28 0.00 -0.26 0.00 0.00 57.72 56.07 1s4d n HIS 119 Cb 0.64 -0.41 0.02 0.00 1.12 0.00 0.00 29.99 31.36 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 -0.82 -4.87 -3.72 -0.41 3.00 -0.86 -4.97 117.38 104.73 1s4d n GLN 120 Ca 0.28 0.59 -0.37 0.00 -0.01 0.00 0.00 57.00 57.49 1s4d n GLN 120 Cb 0.98 -5.44 -0.11 0.00 0.00 0.00 0.00 30.24 25.67 1s4d n GLN 120 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1s4d s VAL 121 N -3.20 4.94 0.57 5.09 1.01 -0.63 -5.03 120.40 123.15 1s4d s VAL 121 Ca 0.57 0.04 -0.19 0.00 0.00 0.00 0.00 61.98 62.41 1s4d s VAL 121 Cb -0.29 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1s4d s VAL 121 CO 0.71 0.33 1.13 -2.16 0.00 0.00 0.00 175.10 175.11 1s4d s PRO 122 N 1.37 3.22 0.09 2.72 0.04 -1.26 -4.36 135.00 136.81 1s4d s PRO 122 Ca 0.06 1.59 -0.12 0.00 0.04 0.00 0.00 61.00 62.57 1s4d s PRO 122 Cb -0.15 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1s4d s PRO 122 CO 0.06 -0.95 0.29 -0.59 0.04 0.00 0.00 177.00 175.85 1s4d s PHE 123 N -1.86 -0.03 0.06 0.56 -0.12 -1.26 -1.49 117.98 113.85 1s4d s PHE 123 Ca 0.72 -0.29 0.07 0.00 -0.05 0.00 0.00 56.93 57.38 1s4d s PHE 123 Cb -0.24 0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 42.21 1s4d s PHE 123 CO 0.30 -0.59 -0.19 0.50 -0.05 0.00 0.00 175.22 175.19 1s4d s ARG 124 N -3.52 1.18 -0.18 1.99 3.52 -0.51 -4.94 118.95 116.48 1s4d s ARG 124 Ca 0.02 -0.97 -0.07 0.00 -0.13 0.00 0.00 55.73 54.58 1s4d s ARG 124 Cb 0.02 -1.31 -0.04 0.00 -1.56 0.00 0.00 34.95 32.07 1s4d s ARG 124 CO -0.10 0.32 0.05 0.42 -0.81 0.00 0.00 175.30 175.19 1s4d s ILE 125 N -0.94 4.65 -0.29 4.11 -1.09 -1.26 -0.68 121.20 125.69 1s4d s ILE 125 Ca 0.05 -0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.41 1s4d s ILE 125 Cb -0.09 -3.09 0.07 0.00 -1.58 0.00 0.00 42.46 37.77 1s4d s ILE 125 CO 0.02 0.46 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.46 1s4d s VAL 126 N 0.44 2.37 0.73 2.92 1.01 -0.62 -4.96 120.40 122.28 1s4d s VAL 126 Ca 0.02 -1.81 -0.16 0.00 0.00 0.00 0.00 61.98 60.04 1s4d s VAL 126 Cb -0.13 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.77 1s4d s VAL 126 CO 0.01 -0.22 0.95 -2.65 0.00 0.00 0.00 175.10 173.19 1s4d n PRO 127 N 4.42 0.46 -4.31 2.72 -0.02 -1.26 -1.30 135.00 135.70 1s4d n PRO 127 Ca -0.09 0.21 -0.16 0.00 -2.02 0.00 0.00 63.50 61.44 1s4d n PRO 127 Cb 0.42 -2.21 -0.10 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.67 1.59 -0.04 -1.23 0.00 -1.26 -4.42 107.32 100.30 1s4d s GLY 128 Ca 0.73 -1.79 -0.30 0.00 0.00 0.00 0.00 44.72 43.36 1s4d s GLY 128 CO 0.51 -1.62 1.14 -0.42 0.00 0.00 0.00 173.10 172.71 1s4d s ILE 129 N -3.59 4.38 0.19 0.90 -1.09 -1.26 -4.26 121.20 116.47 1s4d s ILE 129 Ca 0.32 1.70 -0.08 0.00 -2.23 0.00 0.00 60.65 60.36 1s4d s ILE 129 Cb 0.07 -4.09 -0.07 0.00 -1.58 0.00 0.00 42.46 36.79 1s4d s ILE 129 CO 0.10 0.04 0.48 0.28 -1.23 0.00 0.00 174.94 174.61 1s4d s THR 130 N 1.85 5.02 0.25 2.92 -1.32 -1.26 -3.31 115.64 119.80 1s4d s THR 130 Ca 0.55 0.31 -0.04 0.00 -1.21 0.00 0.00 61.69 61.30 1s4d s THR 130 Cb -0.24 -3.62 0.24 0.00 -1.51 0.00 0.00 72.50 67.37 1s4d s THR 130 CO 0.23 -0.01 1.86 0.00 -2.21 0.00 0.00 174.62 174.50 1s4d h ALA 131 N 2.72 1.28 0.00 11.08 0.00 -1.95 -0.87 119.26 131.52 1s4d h ALA 131 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1s4d h ALA 131 Cb 1.17 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1s4d h ALA 131 CO 0.70 0.35 0.00 0.78 0.00 0.00 0.00 179.25 181.08 1s4d h GLY 132 N 1.06 0.00 0.00 0.00 0.00 -1.95 -1.07 103.07 101.10 1s4d h GLY 132 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1s4d h GLY 132 CO -0.18 0.00 -0.06 1.39 0.00 0.00 0.00 176.54 177.69 1s4d n ILE 133 N -2.35 0.79 -0.17 2.60 5.41 -0.88 -4.54 119.36 120.23 1s4d n ILE 133 Ca 0.00 0.26 -0.10 0.00 1.00 0.00 0.00 62.75 63.91 1s4d n ILE 133 Cb 0.14 -1.43 0.00 0.00 -0.71 0.00 0.00 39.64 37.63 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 -0.06 0.91 -0.04 7.39 0.00 -1.33 -1.14 103.07 108.81 1s4d h GLY 134 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 47.33 46.69 1s4d h GLY 134 CO 0.00 0.61 -0.48 -1.33 0.00 0.00 0.00 176.54 175.34 1s4d h GLY 135 N 0.70 -1.16 0.70 4.60 0.00 -1.15 -1.51 103.07 105.26 1s4d h GLY 135 Ca 0.14 0.67 0.13 0.00 0.00 0.00 0.00 47.33 48.27 1s4d h GLY 135 CO 0.02 -0.26 0.52 1.41 0.00 0.00 0.00 176.54 178.23 1s4d h LEU 136 N -0.58 0.50 -1.57 3.11 3.38 -1.31 -0.01 115.31 118.84 1s4d h LEU 136 Ca 0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1s4d h LEU 136 Cb 0.63 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1s4d h LEU 136 CO -0.34 0.27 0.26 0.00 0.09 0.00 0.00 178.44 178.71 1s4d h ALA 137 N 1.63 1.68 0.00 1.53 0.00 -0.25 -0.24 119.26 123.61 1s4d h ALA 137 Ca 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1s4d h ALA 137 Cb 0.72 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1s4d h ALA 137 CO -0.14 0.29 0.00 0.66 0.00 0.00 0.00 179.25 180.06 1s4d n TYR 138 N -4.46 0.00 0.39 0.00 4.02 -0.03 -2.24 117.16 114.85 1s4d n TYR 138 Ca 0.03 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.01 1s4d n TYR 138 Cb 0.07 -0.47 0.14 0.00 -0.02 0.00 0.00 39.34 39.06 1s4d n TYR 138 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s4d n ALA 139 N -1.47 2.41 -0.73 -0.72 0.00 -0.23 -4.58 120.51 115.19 1s4d n ALA 139 Ca 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1s4d n ALA 139 Cb 0.26 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 1.07 0.65 3.25 0.00 0.00 -0.95 -4.70 105.19 104.52 1s4d n GLY 140 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.11 3.59 0.29 -0.61 1.01 -0.47 -3.68 121.20 119.21 1s4d s ILE 141 Ca 0.00 -1.16 -0.28 0.00 0.00 0.00 0.00 60.65 59.21 1s4d s ILE 141 Cb 0.00 -3.02 -0.09 0.00 0.01 0.00 0.00 42.46 39.35 1s4d s ILE 141 CO 0.00 -0.14 1.02 -2.16 0.00 0.00 0.00 174.94 173.67 1s4d s PRO 142 N 1.37 4.63 0.45 2.79 0.04 -1.26 -3.21 135.00 139.80 1s4d s PRO 142 Ca -0.02 1.61 0.25 0.00 0.04 0.00 0.00 61.00 62.87 1s4d s PRO 142 Cb -0.19 -3.07 0.87 0.00 0.04 0.00 0.00 34.50 32.15 1s4d s PRO 142 CO 0.02 0.26 1.80 -0.39 0.04 0.00 0.00 177.00 178.73 1s4d h VAL 143 N 2.91 0.42 -3.89 -0.36 -1.51 -1.88 -3.45 116.25 108.49 1s4d h VAL 143 Ca -0.46 -1.09 -0.45 0.00 -1.23 0.00 0.00 66.70 63.46 1s4d h VAL 143 Cb 1.21 1.80 -0.21 0.00 -2.13 0.00 0.00 31.29 31.96 1s4d h VAL 143 CO 0.66 0.18 -0.79 0.42 -1.23 0.00 0.00 177.57 176.82 1s4d s THR 144 N -3.55 1.29 -0.30 7.19 -4.23 -1.26 -4.79 115.64 110.00 1s4d s THR 144 Ca 0.02 -1.42 -0.14 0.00 -1.18 0.00 0.00 61.69 58.96 1s4d s THR 144 Cb 0.09 -1.25 0.15 0.00 1.34 0.00 0.00 72.50 72.83 1s4d s THR 144 CO 0.63 -0.21 0.92 -2.28 -0.54 0.00 0.00 174.62 173.14 1s4d s HIS 145 N -1.36 -0.78 -0.52 3.99 5.04 -1.26 -5.03 115.29 115.36 1s4d s HIS 145 Ca 0.02 1.39 0.23 0.00 -1.54 0.00 0.00 55.06 55.16 1s4d s HIS 145 Cb -0.09 0.47 0.95 0.00 0.04 0.00 0.00 32.58 33.95 1s4d s HIS 145 CO 0.03 -0.39 1.71 2.89 -2.34 0.00 0.00 174.74 176.64 1s4d n ARG 146 N 4.84 0.19 0.11 2.88 1.85 -1.26 0.23 116.66 125.50 1s4d n ARG 146 Ca -0.11 0.40 0.13 0.00 -1.00 0.00 0.00 57.85 57.26 1s4d n ARG 146 Cb 0.53 -1.85 0.33 0.00 -1.05 0.00 0.00 32.46 30.41 1s4d n ARG 146 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1s4d h GLU 147 N 0.00 0.00 0.00 2.89 5.08 -2.06 -3.40 114.58 117.09 1s4d h GLU 147 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1s4d h GLU 147 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1s4d h GLU 147 CO 0.00 0.00 -1.42 0.28 -1.00 0.00 0.00 179.01 176.87 1s4d n VAL 148 N -2.33 1.42 -3.81 3.13 0.31 0.13 -5.10 118.33 112.09 1s4d n VAL 148 Ca 0.05 -0.01 -0.12 0.00 -0.01 0.00 0.00 64.34 64.24 1s4d n VAL 148 Cb 0.45 -2.10 -0.09 0.00 -0.91 0.00 0.00 33.84 31.18 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 -6.39 -0.12 0.00 4.52 4.22 0.52 -4.86 114.94 112.84 1s4d s ASN 149 Ca -0.29 0.03 0.12 0.00 -2.14 0.00 0.00 52.86 50.58 1s4d s ASN 149 Cb 0.07 0.30 0.15 0.00 1.28 0.00 0.00 41.25 43.05 1s4d s ASN 149 CO 0.40 -0.37 0.97 1.41 -2.04 0.00 0.00 177.10 177.47 1s4d n HIS 150 N 1.56 0.12 -3.95 1.54 8.25 -1.26 -4.19 115.22 117.29 1s4d n HIS 150 Ca -0.21 -0.12 -0.09 0.00 -0.26 0.00 0.00 57.72 57.03 1s4d n HIS 150 Cb 0.56 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.56 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 -0.99 0.01 -0.02 -1.41 0.00 -1.26 -5.14 121.76 112.95 1s4d s ALA 151 Ca 0.16 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.68 1s4d s ALA 151 Cb 0.11 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 1s4d s ALA 151 CO 0.15 -0.18 -0.17 0.08 0.00 0.00 0.00 175.76 175.64 1s4d s VAL 152 N -1.54 1.38 -0.21 0.00 1.01 -1.26 -4.19 120.40 115.58 1s4d s VAL 152 Ca -0.15 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 1s4d s VAL 152 Cb -0.09 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 1s4d s VAL 152 CO -0.01 0.39 -0.01 -0.89 0.00 0.00 0.00 175.10 174.59 1s4d s THR 153 N -0.26 3.79 -0.06 3.92 2.01 -0.67 -4.99 115.64 119.38 1s4d s THR 153 Ca 0.03 -0.36 -0.14 0.00 0.31 0.00 0.00 61.69 61.53 1s4d s THR 153 Cb -0.08 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 1s4d s THR 153 CO 0.00 0.41 0.36 -0.36 -0.69 0.00 0.00 174.62 174.34 1s4d s PHE 154 N 1.26 3.63 0.15 4.92 0.40 -1.26 -0.26 117.98 126.83 1s4d s PHE 154 Ca 0.04 0.84 -0.06 0.00 -0.60 0.00 0.00 56.93 57.14 1s4d s PHE 154 Cb -0.15 -2.29 -0.02 0.00 0.51 0.00 0.00 43.02 41.08 1s4d s PHE 154 CO 0.00 0.51 0.21 -0.48 0.70 0.00 0.00 175.22 176.16 1s4d s LEU 155 N -0.53 1.24 -0.16 -0.37 2.34 -0.56 -4.95 118.68 115.70 1s4d s LEU 155 Ca 0.21 -0.97 -0.02 0.00 0.06 0.00 0.00 54.13 53.42 1s4d s LEU 155 Cb -0.15 0.90 -0.02 0.00 -0.56 0.00 0.00 46.19 46.36 1s4d s LEU 155 CO 0.10 -0.83 -0.09 0.28 -1.06 0.00 0.00 176.35 174.74 1s4d s THR 156 N -3.99 3.32 -2.05 5.48 -1.32 -1.26 -0.78 115.64 115.03 1s4d s THR 156 Ca 0.19 -0.55 0.30 0.00 -1.21 0.00 0.00 61.69 60.41 1s4d s THR 156 Cb 0.05 -2.44 0.66 0.00 -1.51 0.00 0.00 72.50 69.26 1s4d s THR 156 CO 0.00 0.50 1.96 0.61 -2.21 0.00 0.00 174.62 175.48 1s4d n GLY 157 N 3.80 -0.66 0.25 6.08 0.00 -0.08 -4.57 105.19 110.00 1s4d n GLY 157 Ca -0.18 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.57 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 0.93 -0.01 -1.03 1.61 2.76 -1.69 -2.53 115.15 115.18 1s4d h HIS 158 Ca 0.00 0.05 -0.66 0.00 -2.20 0.00 0.00 60.37 57.56 1s4d h HIS 158 Cb 0.27 0.11 -0.32 0.00 1.55 0.00 0.00 27.41 29.02 1s4d h HIS 158 CO 0.00 -0.18 0.57 -0.25 -1.30 0.00 0.00 177.93 176.77 1s4d n ASP 159 N -5.29 7.17 -2.72 3.26 8.00 -1.26 -4.75 116.55 120.96 1s4d n ASP 159 Ca 0.11 -3.79 -0.27 0.00 0.71 0.00 0.00 54.79 51.55 1s4d n ASP 159 Cb 0.40 -0.86 -0.02 0.00 -0.02 0.00 0.00 41.12 40.61 1s4d n ASP 159 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1s4d n SER 160 N -0.85 4.57 0.00 -2.24 7.64 -0.96 -4.84 113.62 116.94 1s4d n SER 160 Ca 0.59 -3.70 0.00 0.00 1.01 0.00 0.00 58.87 56.77 1s4d n SER 160 Cb 0.69 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 -0.36 0.00 0.00 6.43 3.41 -1.26 -4.53 113.62 117.31 1s4d n SER 161 Ca 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1s4d n SER 161 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 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 2.81 1.68 0.00 5.00 0.00 -1.26 -4.89 105.19 108.53 1s4d n GLY 162 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1s4d n GLY 162 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1s4d n ARG 167 N 0.00 0.00 -2.42 1.61 0.63 -1.26 -5.27 116.66 109.95 1s4d n ARG 167 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 1s4d n ARG 167 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 1s4d n ARG 167 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1s4d s ILE 168 N 0.00 3.51 -0.58 5.15 1.01 -1.26 -5.01 121.20 124.02 1s4d s ILE 168 Ca 0.00 0.96 -0.10 0.00 0.00 0.00 0.00 60.65 61.51 1s4d s ILE 168 Cb 0.00 -3.40 0.15 0.00 0.01 0.00 0.00 42.46 39.22 1s4d s ILE 168 CO 0.00 -0.18 0.47 0.21 0.00 0.00 0.00 174.94 175.44 1s4d s ASN 169 N -1.85 5.91 0.20 3.58 3.04 -1.26 -4.97 114.94 119.60 1s4d s ASN 169 Ca 0.69 -2.22 -0.04 0.00 0.04 0.00 0.00 52.86 51.33 1s4d s ASN 169 Cb -0.20 -2.05 0.15 0.00 -1.54 0.00 0.00 41.25 37.61 1s4d s ASN 169 CO 0.24 -0.64 1.56 -0.50 -3.04 0.00 0.00 177.10 174.72 1s4d h TRP 170 N 8.13 0.78 -0.35 0.43 4.06 -1.94 0.12 115.95 127.16 1s4d h TRP 170 Ca -0.12 -0.23 0.07 0.00 2.06 0.00 0.00 58.89 60.67 1s4d h TRP 170 Cb 1.05 -0.17 -0.09 0.00 -1.00 0.00 0.00 29.16 28.96 1s4d h TRP 170 CO 0.75 0.95 -0.38 0.37 -3.56 0.00 0.00 178.44 176.57 1s4d h GLN 171 N 0.53 -0.31 0.00 0.49 -0.00 -1.88 0.41 115.11 114.36 1s4d h GLN 171 Ca 0.04 0.02 0.03 0.00 -0.00 0.00 0.00 58.65 58.74 1s4d h GLN 171 Cb 0.93 0.07 -0.04 0.00 0.00 0.00 0.00 27.48 28.44 1s4d h GLN 171 CO 0.08 -0.21 -0.20 0.78 0.00 0.00 0.00 178.83 179.29 1s4d h GLY 172 N -0.32 -0.28 0.57 2.39 0.00 -1.74 -1.42 103.07 102.27 1s4d h GLY 172 Ca 0.14 0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.78 1s4d h GLY 172 CO -0.53 -0.18 0.24 -2.22 0.00 0.00 0.00 176.54 173.86 1s4d h ILE 173 N -0.32 0.87 -0.84 2.60 5.03 -0.48 -2.48 117.51 121.88 1s4d h ILE 173 Ca 0.06 -0.16 0.08 0.00 -0.12 0.00 0.00 64.86 64.72 1s4d h ILE 173 Cb 0.40 0.37 -0.07 0.00 -3.03 0.00 0.00 36.82 34.49 1s4d h ILE 173 CO -0.18 0.08 0.50 0.00 -0.68 0.00 0.00 178.15 177.87 1s4d h ALA 174 N 1.34 1.19 -2.70 1.87 0.00 0.41 -3.38 119.26 118.00 1s4d h ALA 174 Ca 0.26 0.02 -0.53 0.00 0.00 0.00 0.00 54.91 54.66 1s4d h ALA 174 Cb 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1s4d h ALA 174 CO -0.23 0.17 0.20 -1.12 0.00 0.00 0.00 179.25 178.27 1s4d s SER 175 N -5.67 7.36 0.00 0.00 0.01 -0.59 -4.66 113.70 110.15 1s4d s SER 175 Ca -0.12 1.61 0.00 0.00 1.31 0.00 0.00 55.95 58.75 1s4d s SER 175 Cb 0.19 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1s4d s SER 175 CO 0.79 0.12 0.00 0.61 0.41 0.00 0.00 173.24 175.17 1s4d n GLY 176 N 1.89 0.00 3.84 3.44 0.00 -1.26 -4.89 105.19 108.21 1s4d n GLY 176 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 6.82 0.16 1.61 0.01 -1.26 -5.01 113.70 116.03 1s4d s SER 177 Ca 0.00 1.00 0.21 0.00 1.31 0.00 0.00 55.95 58.47 1s4d s SER 177 Cb 0.00 -2.26 0.86 0.00 0.21 0.00 0.00 66.02 64.83 1s4d s SER 177 CO 0.00 0.26 1.64 -2.65 0.41 0.00 0.00 173.24 172.90 1s4d n PRO 178 N 1.51 0.13 -5.08 12.44 -0.02 -1.26 -4.66 135.00 138.05 1s4d n PRO 178 Ca -0.11 0.34 -0.32 0.00 -2.02 0.00 0.00 63.50 61.39 1s4d n PRO 178 Cb 0.52 -1.73 -0.17 0.00 -0.02 0.00 0.00 33.50 32.10 1s4d n PRO 178 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s4d s VAL 179 N -3.19 2.02 -0.08 -1.45 1.01 -1.26 -4.24 120.40 113.21 1s4d s VAL 179 Ca 0.06 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1s4d s VAL 179 Cb 0.10 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.73 1s4d s VAL 179 CO 0.36 0.55 -0.16 -0.63 0.00 0.00 0.00 175.10 175.22 1s4d s ILE 180 N 0.45 1.44 -0.18 2.22 1.01 -0.73 -1.67 121.20 123.74 1s4d s ILE 180 Ca -0.16 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 59.84 1s4d s ILE 180 Cb -0.17 -1.29 0.03 0.00 0.01 0.00 0.00 42.46 41.04 1s4d s ILE 180 CO 0.07 0.42 -0.16 -0.69 0.00 0.00 0.00 174.94 174.58 1s4d s VAL 181 N 0.58 1.86 -0.16 2.92 1.01 0.64 -0.09 120.40 127.17 1s4d s VAL 181 Ca -0.16 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 60.90 1s4d s VAL 181 Cb -0.16 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1s4d s VAL 181 CO 0.05 0.39 -0.18 -0.04 0.00 0.00 0.00 175.10 175.32 1s4d s MET 182 N 1.35 3.11 0.27 2.72 1.00 0.35 -1.49 119.30 126.61 1s4d s MET 182 Ca 0.02 -0.80 -0.07 0.00 0.00 0.00 0.00 55.69 54.85 1s4d s MET 182 Cb -0.14 -2.56 -0.06 0.00 0.00 0.00 0.00 34.83 32.06 1s4d s MET 182 CO -0.11 -0.05 0.57 0.71 0.00 0.00 0.00 175.02 176.14 1s4d s TYR 183 N 0.93 3.46 -1.67 -0.03 1.51 0.04 -1.40 117.35 120.19 1s4d s TYR 183 Ca -0.04 0.76 -0.14 0.00 -1.01 0.00 0.00 57.07 56.65 1s4d s TYR 183 Cb -0.15 -2.19 0.12 0.00 -0.11 0.00 0.00 41.96 39.64 1s4d s TYR 183 CO -0.03 0.19 0.55 -1.33 -1.11 0.00 0.00 175.55 173.82 1s4d n MET 184 N -0.65 -2.24 0.00 -0.62 2.81 -1.26 -0.91 117.12 114.25 1s4d n MET 184 Ca -0.01 0.28 0.09 0.00 -1.81 0.00 0.00 57.70 56.26 1s4d n MET 184 Cb 0.53 -4.66 0.02 0.00 -0.71 0.00 0.00 33.22 28.41 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 -4.34 3.07 0.21 3.04 0.00 -1.26 -2.43 120.51 118.78 1s4d n ALA 185 Ca -0.05 -0.61 -0.10 0.00 0.00 0.00 0.00 53.44 52.68 1s4d n ALA 185 Cb 0.55 -0.67 -0.05 0.00 0.00 0.00 0.00 19.45 19.28 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 2.66 -0.59 -0.82 0.00 2.86 -1.90 -2.45 114.93 114.69 1s4d h MET 186 Ca 0.00 0.04 0.16 0.00 -2.06 0.00 0.00 59.70 57.84 1s4d h MET 186 Cb 0.70 0.13 -0.16 0.00 0.06 0.00 0.00 31.60 32.34 1s4d h MET 186 CO 0.00 -0.39 -0.21 -0.22 1.06 0.00 0.00 176.91 177.15 1s4d h LYS 187 N -0.61 -0.00 -0.62 1.72 3.11 -1.96 -2.69 116.57 115.52 1s4d h LYS 187 Ca -0.05 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.52 1s4d h LYS 187 Cb 0.50 0.00 -0.16 0.00 -1.00 0.00 0.00 32.23 31.57 1s4d h LYS 187 CO 0.02 -0.00 0.23 0.72 -2.81 0.00 0.00 179.45 177.61 1s4d n HIS 188 N -5.53 1.97 -0.13 1.91 8.25 -1.20 -4.66 115.22 115.82 1s4d n HIS 188 Ca 0.12 -1.50 -0.01 0.00 -0.26 0.00 0.00 57.72 56.07 1s4d n HIS 188 Cb 0.42 -0.65 0.24 0.00 1.12 0.00 0.00 29.99 31.11 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 1.47 1.20 0.00 1.59 6.09 -1.08 -0.25 117.51 126.53 1s4d h ILE 189 Ca 0.33 -0.63 -0.00 0.00 -1.37 0.00 0.00 64.86 63.19 1s4d h ILE 189 Cb 2.15 0.52 0.00 0.00 0.47 0.00 0.00 36.82 39.95 1s4d h ILE 189 CO 0.66 0.25 -0.00 1.23 -3.07 0.00 0.00 178.15 177.22 1s4d h GLY 190 N 0.93 -0.00 1.29 8.18 0.00 -1.85 -0.05 103.07 111.57 1s4d h GLY 190 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.40 1s4d h GLY 190 CO -0.02 -0.00 -0.28 0.00 0.00 0.00 0.00 176.54 176.24 1s4d h ALA 191 N 0.99 0.79 -0.36 3.60 0.00 -1.77 -1.98 119.26 120.53 1s4d h ALA 191 Ca -0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1s4d h ALA 191 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1s4d h ALA 191 CO 0.00 0.65 0.01 0.82 0.00 0.00 0.00 179.25 180.73 1s4d h ILE 192 N 0.69 1.26 -0.45 0.00 2.04 -0.89 -1.30 117.51 118.84 1s4d h ILE 192 Ca 0.08 -0.96 -0.13 0.00 1.00 0.00 0.00 64.86 64.85 1s4d h ILE 192 Cb 0.82 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1s4d h ILE 192 CO 0.07 0.32 -0.24 0.71 0.00 0.00 0.00 178.15 179.01 1s4d h THR 193 N 0.44 1.27 -0.37 -0.27 1.35 -0.98 -2.25 112.91 112.10 1s4d h THR 193 Ca 0.10 -1.41 0.07 0.00 -0.55 0.00 0.00 66.41 64.63 1s4d h THR 193 Cb 0.44 1.20 -0.07 0.00 -1.73 0.00 0.00 68.15 67.99 1s4d h THR 193 CO 0.02 0.48 -0.07 0.00 -0.25 0.00 0.00 175.52 175.70 1s4d h ALA 194 N 0.84 0.27 0.20 6.62 0.00 -1.23 -1.06 119.26 124.90 1s4d h ALA 194 Ca 0.10 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1s4d h ALA 194 Cb 0.82 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1s4d h ALA 194 CO 0.07 -0.44 -0.26 -0.91 0.00 0.00 0.00 179.25 177.70 1s4d h ASN 195 N 0.02 -0.72 -0.70 0.00 -0.26 -1.08 0.14 115.58 112.99 1s4d h ASN 195 Ca 0.18 0.07 0.14 0.00 -0.56 0.00 0.00 56.30 56.13 1s4d h ASN 195 Cb 0.27 0.26 -0.10 0.00 -1.06 0.00 0.00 38.32 37.69 1s4d h ASN 195 CO -0.36 -0.37 0.19 -0.07 -1.06 0.00 0.00 177.43 175.76 1s4d h LEU 196 N -0.52 0.08 -0.77 1.61 3.38 -1.17 0.44 115.31 118.36 1s4d h LEU 196 Ca 0.01 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1s4d h LEU 196 Cb 0.51 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1s4d h LEU 196 CO -0.10 0.02 0.26 0.40 0.09 0.00 0.00 178.44 179.12 1s4d h ILE 197 N 0.31 1.26 0.00 1.22 2.04 -0.84 -1.06 117.51 120.45 1s4d h ILE 197 Ca 0.38 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1s4d h ILE 197 Cb 0.60 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1s4d h ILE 197 CO -0.44 0.35 0.00 0.00 0.00 0.00 0.00 178.15 178.06 1s4d h ALA 198 N 1.14 1.00 -0.02 1.87 0.00 0.17 -2.70 119.26 120.72 1s4d h ALA 198 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1s4d h ALA 198 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1s4d h ALA 198 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1s4d n GLY 199 N 0.11 0.06 0.00 0.00 0.00 0.13 -4.93 105.19 100.56 1s4d n GLY 199 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 1.18 1.64 3.77 -0.02 0.00 -1.02 -4.67 105.19 106.08 1s4d n GLY 200 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.08 4.12 0.12 1.61 1.81 -0.98 -4.98 118.95 120.57 1s4d s ARG 201 Ca 0.00 1.83 -0.31 0.00 -1.72 0.00 0.00 55.73 55.53 1s4d s ARG 201 Cb 0.00 -2.72 -0.07 0.00 -0.45 0.00 0.00 34.95 31.70 1s4d s ARG 201 CO 0.00 -0.26 1.32 0.45 -0.68 0.00 0.00 175.30 176.13 1s4d s SER 202 N -1.12 6.91 0.52 0.23 0.15 -1.26 -4.46 113.70 114.67 1s4d s SER 202 Ca 0.56 2.25 0.37 0.00 0.70 0.00 0.00 55.95 59.83 1s4d s SER 202 Cb -0.30 -2.59 1.53 0.00 -1.71 0.00 0.00 66.02 62.94 1s4d s SER 202 CO 0.39 -0.57 1.73 -0.65 1.20 0.00 0.00 173.24 175.33 1s4d h PRO 203 N 6.52 0.06 -0.68 5.44 0.11 -1.94 0.11 132.00 141.63 1s4d h PRO 203 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1s4d h PRO 203 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1s4d h PRO 203 CO 0.83 0.04 0.00 -0.25 -0.21 0.00 0.00 178.00 178.41 1s4d n ASP 204 N -4.24 4.20 -4.73 -2.05 8.00 -1.26 -0.93 116.55 115.54 1s4d n ASP 204 Ca 0.31 -2.23 -0.42 0.00 0.71 0.00 0.00 54.79 53.17 1s4d n ASP 204 Cb 1.39 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 41.94 1s4d n ASP 204 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1s4d s GLU 205 N -1.48 4.42 0.41 -1.24 2.12 0.40 -4.80 118.70 118.53 1s4d s GLU 205 Ca 0.48 1.93 -0.25 0.00 0.36 0.00 0.00 54.97 57.49 1s4d s GLU 205 Cb 0.28 -3.26 -0.10 0.00 0.26 0.00 0.00 34.13 31.31 1s4d s GLU 205 CO 0.28 -0.25 1.12 -2.30 -0.54 0.00 0.00 175.26 173.57 1s4d n PRO 206 N 3.24 1.59 -3.78 4.30 -0.02 -1.26 -1.57 135.00 137.50 1s4d n PRO 206 Ca 0.08 0.57 -0.13 0.00 -2.02 0.00 0.00 63.50 62.00 1s4d n PRO 206 Cb 0.44 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.66 1s4d n PRO 206 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1s4d s VAL 207 N -1.23 0.07 -0.01 -1.45 -7.23 -0.84 -2.05 120.40 107.66 1s4d s VAL 207 Ca 0.62 -0.56 0.03 0.00 -1.81 0.00 0.00 61.98 60.26 1s4d s VAL 207 Cb -0.54 -0.63 -0.01 0.00 0.56 0.00 0.00 36.38 35.76 1s4d s VAL 207 CO 0.57 -0.31 -0.11 0.00 -0.31 0.00 0.00 175.10 174.95 1s4d s ALA 208 N -1.54 0.89 -0.18 1.32 0.00 -0.20 -1.10 121.76 120.96 1s4d s ALA 208 Ca -0.12 -0.44 -0.08 0.00 0.00 0.00 0.00 51.96 51.31 1s4d s ALA 208 Cb -0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1s4d s ALA 208 CO 0.03 0.21 0.09 -0.06 0.00 0.00 0.00 175.76 176.02 1s4d s PHE 209 N -0.17 3.32 -0.27 0.00 0.08 -0.15 -1.40 117.98 119.39 1s4d s PHE 209 Ca 0.03 0.19 0.02 0.00 0.12 0.00 0.00 56.93 57.29 1s4d s PHE 209 Cb -0.05 -2.08 0.07 0.00 -0.57 0.00 0.00 43.02 40.39 1s4d s PHE 209 CO -0.00 0.25 -0.05 0.08 -0.10 0.00 0.00 175.22 175.40 1s4d s VAL 210 N 0.22 1.91 -0.09 -0.44 1.01 -0.35 -1.36 120.40 121.29 1s4d s VAL 210 Ca 0.06 -1.62 -0.10 0.00 0.00 0.00 0.00 61.98 60.31 1s4d s VAL 210 Cb -0.12 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1s4d s VAL 210 CO -0.00 -0.20 0.24 0.00 0.00 0.00 0.00 175.10 175.15 1s4d n ASN 212 N 2.20 -1.32 -4.50 0.00 4.13 -0.61 -1.77 115.26 113.39 1s4d n ASN 212 Ca -0.17 -0.99 -0.41 0.00 1.68 0.00 0.00 54.58 54.69 1s4d n ASN 212 Cb 0.54 -3.06 0.01 0.00 -1.54 0.00 0.00 39.78 35.73 1s4d n ASN 212 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1s4d n ALA 213 N -4.42 -1.02 -2.85 5.41 0.00 -1.26 -2.79 120.51 113.59 1s4d n ALA 213 Ca -0.20 0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 1s4d n ALA 213 Cb 0.63 -1.86 0.02 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.88 -0.88 -2.21 0.00 0.00 -1.26 -4.42 120.51 110.87 1s4d n ALA 214 Ca 0.11 0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.67 1s4d n ALA 214 Cb 0.40 -3.30 -0.10 0.00 0.00 0.00 0.00 19.45 16.45 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 -3.11 0.73 0.57 0.00 -4.23 -1.12 -0.51 115.64 107.97 1s4d s THR 215 Ca 0.22 -1.97 0.40 0.00 -1.18 0.00 0.00 61.69 59.16 1s4d s THR 215 Cb -0.10 -1.89 0.42 0.00 1.34 0.00 0.00 72.50 72.26 1s4d s THR 215 CO 0.27 -0.68 2.29 -0.65 -0.54 0.00 0.00 174.62 175.31 1s4d h PRO 216 N 2.83 0.00 -0.51 3.99 0.11 -1.95 -2.19 132.00 134.28 1s4d h PRO 216 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1s4d h PRO 216 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1s4d h PRO 216 CO 0.64 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 1s4d n GLN 217 N -3.25 2.39 -1.63 1.05 0.00 -1.26 -4.97 117.38 109.71 1s4d n GLN 217 Ca -0.02 -2.14 -0.58 0.00 0.00 0.00 0.00 57.00 54.25 1s4d n GLN 217 Cb 0.11 -1.48 -0.08 0.00 0.00 0.00 0.00 30.24 28.79 1s4d n GLN 217 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1s4d n GLN 218 N 1.27 0.68 -4.44 2.61 7.27 -0.82 -4.82 117.38 119.13 1s4d n GLN 218 Ca 0.20 0.25 -0.22 0.00 0.07 0.00 0.00 57.00 57.30 1s4d n GLN 218 Cb 0.53 -1.84 -0.13 0.00 2.41 0.00 0.00 30.24 31.20 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 1.70 1.36 -0.06 1.69 0.00 -0.73 -4.99 121.76 120.73 1s4d s ALA 219 Ca 0.94 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.00 1s4d s ALA 219 Cb -1.16 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 21.75 1s4d s ALA 219 CO 0.61 0.28 -0.05 0.08 0.00 0.00 0.00 175.76 176.67 1s4d s VAL 220 N -0.84 0.68 -0.21 0.00 1.01 -1.26 -1.10 120.40 118.67 1s4d s VAL 220 Ca 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1s4d s VAL 220 Cb -0.08 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.58 1s4d s VAL 220 CO 0.01 0.28 -0.06 -0.22 0.00 0.00 0.00 175.10 175.11 1s4d s LEU 221 N 1.21 2.80 -0.10 3.92 0.20 -0.47 -4.98 118.68 121.26 1s4d s LEU 221 Ca -0.06 -0.42 -0.15 0.00 0.69 0.00 0.00 54.13 54.19 1s4d s LEU 221 Cb -0.14 -1.70 -0.05 0.00 -0.43 0.00 0.00 46.19 43.87 1s4d s LEU 221 CO -0.02 -0.01 0.37 -1.61 -0.29 0.00 0.00 176.35 174.79 1s4d s GLU 222 N 1.43 4.14 0.00 1.98 2.02 -1.26 -0.97 118.70 126.03 1s4d s GLU 222 Ca 0.05 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.33 1s4d s GLU 222 Cb -0.14 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.73 1s4d s GLU 222 CO -0.04 0.38 0.00 -2.37 0.02 0.00 0.00 175.26 173.25 1s4d n THR 223 N 2.99 0.00 -4.05 3.63 5.66 -0.26 -5.01 114.28 117.24 1s4d n THR 223 Ca -0.11 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.81 1s4d n THR 223 Cb 0.52 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 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 -0.39 0.19 0.17 1.09 2.01 -1.26 -1.98 115.64 115.47 1s4d s THR 224 Ca 0.00 -1.58 -0.14 0.00 0.31 0.00 0.00 61.69 60.28 1s4d s THR 224 Cb 0.00 -1.25 0.05 0.00 0.01 0.00 0.00 72.50 71.31 1s4d s THR 224 CO 0.00 -0.87 1.81 -0.07 -0.69 0.00 0.00 174.62 174.80 1s4d h LEU 225 N 3.42 0.46 -1.09 4.42 3.38 -0.99 0.50 115.31 125.42 1s4d h LEU 225 Ca -0.34 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1s4d h LEU 225 Cb 1.16 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1s4d h LEU 225 CO 0.60 0.33 0.24 0.00 0.09 0.00 0.00 178.44 179.70 1s4d h ALA 226 N 1.21 1.28 -0.00 1.53 0.00 -1.34 -2.98 119.26 118.97 1s4d h ALA 226 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1s4d h ALA 226 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1s4d h ALA 226 CO -0.08 0.53 -0.80 0.54 0.00 0.00 0.00 179.25 179.44 1s4d n ARG 227 N -4.32 0.29 -0.27 0.00 1.74 -1.12 -4.56 116.66 108.42 1s4d n ARG 227 Ca 0.05 -0.23 -0.09 0.00 -0.77 0.00 0.00 57.85 56.81 1s4d n ARG 227 Cb 0.17 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.06 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 3.21 -0.41 -0.40 7.54 0.00 -0.73 0.29 119.26 128.75 1s4d h ALA 228 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1s4d h ALA 228 Cb 0.55 1.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1s4d h ALA 228 CO 0.00 -0.88 0.23 1.49 0.00 0.00 0.00 179.25 180.09 1s4d h GLU 229 N -0.17 0.55 -0.20 0.00 4.81 -1.80 -0.54 114.58 117.23 1s4d h GLU 229 Ca 0.17 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1s4d h GLU 229 Cb 0.53 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1s4d h GLU 229 CO -0.78 0.43 0.04 0.00 -0.73 0.00 0.00 179.01 177.97 1s4d h ALA 230 N 1.09 0.26 -0.69 2.92 0.00 -1.67 -2.98 119.26 118.20 1s4d h ALA 230 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1s4d h ALA 230 Cb 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1s4d h ALA 230 CO -0.03 -0.07 0.32 -0.44 0.00 0.00 0.00 179.25 179.03 1s4d h ASP 231 N 0.13 0.92 -0.37 0.00 3.32 -0.86 -0.90 116.42 118.67 1s4d h ASP 231 Ca 0.06 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1s4d h ASP 231 Cb 0.30 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1s4d h ASP 231 CO 0.00 0.81 0.20 0.58 -1.72 0.00 0.00 179.24 179.11 1s4d h VAL 232 N 0.97 1.01 -0.36 -1.35 2.07 -1.12 -1.66 116.25 115.82 1s4d h VAL 232 Ca 0.24 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 1s4d h VAL 232 Cb 0.14 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1s4d h VAL 232 CO -0.03 0.08 0.13 0.00 0.02 0.00 0.00 177.57 177.77 1s4d h ALA 233 N 1.18 0.47 -1.00 1.67 0.00 -1.31 -2.17 119.26 118.09 1s4d h ALA 233 Ca 0.15 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1s4d h ALA 233 Cb 0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1s4d h ALA 233 CO -0.09 0.09 0.66 0.00 0.00 0.00 0.00 179.25 179.92 1s4d h ALA 234 N 0.97 1.31 0.00 0.00 0.00 -0.92 -1.70 119.26 118.92 1s4d h ALA 234 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1s4d h ALA 234 Cb 0.22 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1s4d h ALA 234 CO -0.01 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1s4d h ALA 235 N 1.40 1.00 -0.14 0.00 0.00 -1.00 -3.47 119.26 117.05 1s4d h ALA 235 Ca 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 1s4d h ALA 235 Cb -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1s4d h ALA 235 CO -0.11 0.00 -0.05 0.41 0.00 0.00 0.00 179.25 179.50 1s4d n GLY 236 N 0.58 0.54 3.77 0.00 0.00 -0.64 -5.01 105.19 104.43 1s4d n GLY 236 Ca 0.03 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 1s4d n GLY 236 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s4d s LEU 237 N -0.57 3.54 0.05 0.99 1.02 -1.18 -5.05 118.68 117.48 1s4d s LEU 237 Ca 0.00 2.13 -0.04 0.00 0.02 0.00 0.00 54.13 56.24 1s4d s LEU 237 Cb 0.00 -4.57 -0.02 0.00 0.02 0.00 0.00 46.19 41.62 1s4d s LEU 237 CO 0.00 -1.53 0.06 -1.61 0.02 0.00 0.00 176.35 173.29 1s4d s GLU 238 N -3.71 0.65 0.84 1.70 2.02 -1.26 -4.91 118.70 114.03 1s4d s GLU 238 Ca 0.71 -1.00 -0.13 0.00 0.02 0.00 0.00 54.97 54.57 1s4d s GLU 238 Cb -0.23 0.24 0.08 0.00 0.10 0.00 0.00 34.13 34.32 1s4d s GLU 238 CO 0.36 -0.15 1.03 -2.30 0.02 0.00 0.00 175.26 174.21 1s4d n PRO 239 N 0.32 0.02 -2.81 0.39 -0.02 -1.26 -4.43 135.00 127.20 1s4d n PRO 239 Ca -0.16 0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 60.99 1s4d n PRO 239 Cb 0.60 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 1s4d n PRO 239 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s4d s PRO 240 N -4.02 4.64 0.05 0.52 0.04 -1.26 -4.95 135.00 130.01 1s4d s PRO 240 Ca 0.69 1.33 0.01 0.00 0.04 0.00 0.00 61.00 63.07 1s4d s PRO 240 Cb -0.28 -3.37 -0.03 0.00 0.04 0.00 0.00 34.50 30.87 1s4d s PRO 240 CO 0.55 0.25 -0.06 0.00 0.04 0.00 0.00 177.00 177.78 1s4d s ALA 241 N -0.07 0.53 -0.11 8.56 0.00 -1.26 -1.57 121.76 127.83 1s4d s ALA 241 Ca 0.44 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 1s4d s ALA 241 Cb -0.22 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1s4d s ALA 241 CO 0.28 -0.16 -0.07 0.42 0.00 0.00 0.00 175.76 176.23 1s4d s ILE 242 N -2.27 3.63 -0.19 0.00 -1.09 -0.38 -4.29 121.20 116.62 1s4d s ILE 242 Ca -0.04 -0.48 -0.05 0.00 -2.23 0.00 0.00 60.65 57.85 1s4d s ILE 242 Cb -0.04 -2.53 -0.02 0.00 -1.58 0.00 0.00 42.46 38.29 1s4d s ILE 242 CO -0.03 0.55 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.53 1s4d s VAL 243 N -0.15 3.88 -0.06 2.92 1.01 -0.49 -1.21 120.40 126.29 1s4d s VAL 243 Ca 0.02 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.71 1s4d s VAL 243 Cb -0.13 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1s4d s VAL 243 CO 0.03 0.44 -0.22 0.54 0.00 0.00 0.00 175.10 175.89 1s4d s VAL 244 N 0.89 1.85 -0.05 2.92 0.11 -0.49 0.13 120.40 125.76 1s4d s VAL 244 Ca 0.01 -0.94 0.04 0.00 -2.93 0.00 0.00 61.98 58.16 1s4d s VAL 244 Cb -0.14 -1.58 -0.02 0.00 -1.53 0.00 0.00 36.38 33.11 1s4d s VAL 244 CO 0.02 0.52 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.45 1s4d s VAL 245 N 0.01 2.90 0.00 2.04 1.01 0.88 -1.03 120.40 126.20 1s4d s VAL 245 Ca -0.07 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1s4d s VAL 245 Cb -0.14 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1s4d s VAL 245 CO 0.04 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1s4d n GLY 246 N 2.45 2.19 0.28 4.51 0.00 -0.87 -1.78 105.19 111.97 1s4d n GLY 246 Ca -0.17 -2.17 0.14 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.57 1.61 4.39 -1.86 -2.08 114.58 116.07 1s4d h GLU 247 Ca 0.00 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.84 1s4d h GLU 247 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1s4d h GLU 247 CO 0.00 0.07 0.40 -0.39 -1.16 0.00 0.00 179.01 177.93 1s4d h VAL 248 N 0.00 0.77 -0.96 3.13 -1.51 -1.89 0.24 116.25 116.04 1s4d h VAL 248 Ca -0.00 -0.05 0.22 0.00 -1.23 0.00 0.00 66.70 65.65 1s4d h VAL 248 Cb 0.22 0.62 -0.12 0.00 -2.13 0.00 0.00 31.29 29.88 1s4d h VAL 248 CO 0.01 0.03 0.52 0.58 -1.23 0.00 0.00 177.57 177.47 1s4d h VAL 249 N 0.14 0.55 0.00 7.19 2.07 -1.71 0.32 116.25 124.81 1s4d h VAL 249 Ca 0.27 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1s4d h VAL 249 Cb 0.89 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1s4d h VAL 249 CO -0.04 0.10 0.05 0.03 0.02 0.00 0.00 177.57 177.73 1s4d h ARG 250 N 0.54 0.00 0.00 1.57 3.08 -1.16 -2.32 114.38 116.10 1s4d h ARG 250 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.65 1s4d h ARG 250 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1s4d h ARG 250 CO -0.47 0.00 -0.11 -0.07 -1.07 0.00 0.00 179.97 178.24 1s4d h LEU 251 N 0.00 0.00 -1.23 3.04 3.38 -1.07 -3.32 115.31 116.10 1s4d h LEU 251 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1s4d h LEU 251 Cb 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1s4d h LEU 251 CO 0.00 0.02 0.46 -0.09 0.09 0.00 0.00 178.44 178.91 1s4d h ARG 252 N 0.00 0.98 -0.62 1.13 2.43 -1.49 0.53 114.38 117.34 1s4d h ARG 252 Ca 0.00 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.18 1s4d h ARG 252 Cb 0.79 -0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 30.06 1s4d h ARG 252 CO 0.00 0.67 0.27 0.00 -1.51 0.00 0.00 179.97 179.40 1s4d h ALA 253 N 1.51 0.81 0.08 2.80 0.00 -1.80 -1.80 119.26 120.87 1s4d h ALA 253 Ca 0.26 0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.97 1s4d h ALA 253 Cb -0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1s4d h ALA 253 CO -0.05 -0.13 -1.31 0.00 0.00 0.00 0.00 179.25 177.76 1s4d h ALA 254 N 1.39 0.26 -0.49 0.00 0.00 -1.43 -3.38 119.26 115.61 1s4d h ALA 254 Ca 0.30 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1s4d h ALA 254 Cb 0.32 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1s4d h ALA 254 CO -0.26 1.14 0.00 1.28 0.00 0.00 0.00 179.25 181.41 1s4d n LEU 255 N -3.43 3.94 -4.58 0.00 4.77 0.17 -4.85 117.00 113.03 1s4d n LEU 255 Ca -0.09 -2.37 -0.42 0.00 -0.03 0.00 0.00 56.01 53.10 1s4d n LEU 255 Cb 1.01 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 1s4d n LEU 255 CO 0.50 0.78 1.93 -0.62 -1.33 0.00 0.00 177.39 178.66 1s4d s ASP 256 N -1.15 6.67 0.47 -1.43 3.68 -0.70 -4.22 116.67 120.00 1s4d s ASP 256 Ca 0.40 -2.37 0.27 0.00 2.13 0.00 0.00 52.55 52.98 1s4d s ASP 256 Cb 0.26 -2.58 0.73 0.00 -1.45 0.00 0.00 42.92 39.88 1s4d s ASP 256 CO 0.20 -1.35 1.75 4.11 0.13 0.00 0.00 175.17 180.01 1s4d h TRP 257 N 7.78 0.00 -0.09 -5.34 5.08 -1.89 -3.11 115.95 118.37 1s4d h TRP 257 Ca 0.43 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 60.18 1s4d h TRP 257 Cb 0.88 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.05 1s4d h TRP 257 CO 1.41 0.03 -0.77 0.82 -1.28 0.00 0.00 178.44 178.65 1s4d h ILE 258 N 0.00 1.31 -0.18 0.12 5.03 -1.86 -3.27 117.51 118.66 1s4d h ILE 258 Ca -0.00 -2.02 -0.72 0.00 -0.12 0.00 0.00 64.86 62.01 1s4d h ILE 258 Cb 0.83 2.18 -0.05 0.00 -3.03 0.00 0.00 36.82 36.74 1s4d h ILE 258 CO 0.00 0.63 3.00 0.61 -0.68 0.00 0.00 178.15 181.71 1s4d n GLY 259 N 0.83 4.47 0.00 5.37 0.00 -1.18 -4.50 105.19 110.18 1s4d n GLY 259 Ca -0.09 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 5.76 0.00 -1.22 4.61 0.00 -1.23 -4.82 120.51 123.60 1s4d n ALA 260 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1s4d n ALA 260 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 0.00 -0.53 -4.81 0.00 4.77 -1.26 -4.93 117.00 110.23 1s4d n LEU 261 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 1s4d n LEU 261 Cb 0.00 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 1s4d n LEU 261 CO 0.00 0.00 -0.23 -1.81 -1.33 0.00 0.00 177.39 174.02 1s4d s ASP 262 N -2.69 5.74 0.00 -1.43 1.01 -1.26 -5.06 116.67 112.97 1s4d s ASP 262 Ca 0.00 0.06 0.17 0.00 0.71 0.00 0.00 52.55 53.49 1s4d s ASP 262 Cb 0.00 -1.61 0.13 0.00 1.01 0.00 0.00 42.92 42.46 1s4d s ASP 262 CO 0.00 0.17 1.04 0.61 0.21 0.00 0.00 175.17 177.20