#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4d s ALA 7 N 0.00 -4.07 -0.80 4.37 0.00 -1.26 -5.07 121.76 114.93 1s4d s ALA 7 Ca 0.00 0.98 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1s4d s ALA 7 Cb 0.00 -2.96 0.24 0.00 0.00 0.00 0.00 23.12 20.40 1s4d s ALA 7 CO 0.00 -2.45 0.87 0.41 0.00 0.00 0.00 175.76 174.59 1s4d n GLY 8 N 3.64 4.62 3.39 0.00 0.00 -1.26 -5.07 105.19 110.52 1s4d n GLY 8 Ca 0.07 -2.69 -0.19 0.00 0.00 0.00 0.00 46.02 43.21 1s4d n GLY 8 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1s4d s LEU 9 N -2.15 2.14 0.52 0.99 2.34 -1.26 -5.11 118.68 116.15 1s4d s LEU 9 Ca 0.33 -1.31 -0.23 0.00 0.06 0.00 0.00 54.13 52.99 1s4d s LEU 9 Cb 0.05 -0.32 -0.06 0.00 -0.56 0.00 0.00 46.19 45.30 1s4d s LEU 9 CO -0.04 -0.57 1.39 -2.84 -1.06 0.00 0.00 176.35 173.24 1s4d s PRO 10 N -3.88 3.28 0.26 1.48 0.02 -1.26 -4.96 135.00 129.93 1s4d s PRO 10 Ca 0.33 2.32 -0.24 0.00 0.02 0.00 0.00 61.00 63.43 1s4d s PRO 10 Cb 0.07 -2.37 -0.09 0.00 0.02 0.00 0.00 34.50 32.13 1s4d s PRO 10 CO 0.13 -1.11 0.84 0.00 -0.33 0.00 0.00 177.00 176.53 1s4d s ALA 11 N -1.26 3.33 -0.43 -1.55 0.00 -1.26 -4.96 121.76 115.63 1s4d s ALA 11 Ca 0.69 0.37 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 1s4d s ALA 11 Cb -0.42 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1s4d s ALA 11 CO 0.51 0.25 1.26 -1.17 0.00 0.00 0.00 175.76 176.61 1s4d s LEU 12 N -1.85 3.65 0.00 0.00 0.20 -1.26 -4.99 118.68 114.42 1s4d s LEU 12 Ca 0.45 0.71 0.00 0.00 0.69 0.00 0.00 54.13 55.97 1s4d s LEU 12 Cb -0.19 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.03 1s4d s LEU 12 CO 0.23 -1.29 0.00 -0.62 -0.29 0.00 0.00 176.35 174.38 1s4d n GLU 13 N 7.85 2.63 -4.40 1.98 -0.58 -1.26 -4.86 120.64 121.99 1s4d n GLU 13 Ca 0.14 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.68 1s4d n GLU 13 Cb 0.48 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.25 1s4d n GLU 13 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1s4d s LYS 14 N 1.05 1.56 -0.24 3.49 1.02 -1.26 -4.05 119.74 121.30 1s4d s LYS 14 Ca 0.00 -1.85 0.00 0.00 0.02 0.00 0.00 55.97 54.14 1s4d s LYS 14 Cb 0.00 -0.67 0.00 0.00 -0.52 0.00 0.00 37.83 36.64 1s4d s LYS 14 CO 0.00 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.63 1s4d n GLY 15 N -0.60 0.22 3.52 -3.33 0.00 -1.18 -4.94 105.19 98.88 1s4d n GLY 15 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.96 3.98 -0.04 1.61 1.04 -1.26 -3.99 113.70 114.08 1s4d s SER 16 Ca 0.00 -0.69 0.03 0.00 0.48 0.00 0.00 55.95 55.77 1s4d s SER 16 Cb 0.00 -0.56 0.01 0.00 0.10 0.00 0.00 66.02 65.56 1s4d s SER 16 CO 0.00 0.10 -0.10 -0.69 0.98 0.00 0.00 173.24 173.53 1s4d s VAL 17 N -1.73 0.92 -0.18 5.02 1.01 -0.99 -2.44 120.40 122.02 1s4d s VAL 17 Ca 0.24 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 1s4d s VAL 17 Cb -0.08 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1s4d s VAL 17 CO 0.14 0.29 0.08 0.26 0.00 0.00 0.00 175.10 175.86 1s4d s TRP 18 N 0.32 3.30 -0.42 5.22 0.52 -0.94 -2.23 118.94 124.71 1s4d s TRP 18 Ca -0.06 0.15 -0.20 0.00 0.02 0.00 0.00 56.10 56.01 1s4d s TRP 18 Cb -0.11 -2.09 0.02 0.00 -1.15 0.00 0.00 33.47 30.14 1s4d s TRP 18 CO 0.01 0.21 0.60 -0.51 0.02 0.00 0.00 176.95 177.29 1s4d s LEU 19 N 0.29 4.51 -0.11 2.99 1.02 -0.67 -0.72 118.68 125.99 1s4d s LEU 19 Ca 0.05 -0.30 0.03 0.00 0.02 0.00 0.00 54.13 53.93 1s4d s LEU 19 Cb -0.12 -2.67 0.00 0.00 0.02 0.00 0.00 46.19 43.42 1s4d s LEU 19 CO -0.00 -0.70 -0.22 -0.69 0.02 0.00 0.00 176.35 174.75 1s4d s VAL 20 N 2.67 2.17 -0.13 -1.59 1.01 0.44 -1.18 120.40 123.80 1s4d s VAL 20 Ca 0.21 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 1s4d s VAL 20 Cb -0.15 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1s4d s VAL 20 CO 0.17 0.55 1.02 -0.83 0.00 0.00 0.00 175.10 176.01 1s4d s GLY 21 N 0.44 2.21 0.00 4.51 0.00 -0.28 -0.58 107.32 113.62 1s4d s GLY 21 Ca -0.16 0.34 0.27 0.00 0.00 0.00 0.00 44.72 45.18 1s4d s GLY 21 CO 0.06 1.98 1.70 0.00 0.00 0.00 0.00 173.10 176.85 1s4d n ALA 22 N 5.30 2.92 -0.25 3.20 0.00 0.29 -4.59 120.51 127.39 1s4d n ALA 22 Ca 0.10 -0.34 0.02 0.00 0.00 0.00 0.00 53.44 53.22 1s4d n ALA 22 Cb 0.48 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 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 1.31 -2.09 0.04 0.00 0.00 -0.94 -4.40 105.19 99.11 1s4d n GLY 23 Ca 0.13 -1.42 0.13 0.00 0.00 0.00 0.00 46.02 44.86 1s4d n GLY 23 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1s4d n PRO 24 N -1.20 0.09 0.00 1.61 -0.04 -1.22 -0.86 135.00 133.38 1s4d n PRO 24 Ca 0.00 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1s4d n PRO 24 Cb 0.08 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 1s4d n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s4d n GLY 25 N 1.23 0.04 3.68 0.55 0.00 -1.26 -4.73 105.19 104.71 1s4d n GLY 25 Ca 0.06 0.21 -0.57 0.00 0.00 0.00 0.00 46.02 45.72 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 2.37 -4.79 1.61 2.03 0.19 -4.30 116.55 113.66 1s4d n ASP 26 Ca 0.00 1.01 -0.32 0.00 0.52 0.00 0.00 54.79 56.00 1s4d n ASP 26 Cb 0.00 -1.15 0.06 0.00 -0.72 0.00 0.00 41.12 39.31 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 3.88 2.76 0.00 -0.67 0.04 -1.26 -1.78 135.00 137.97 1s4d s PRO 27 Ca 1.00 1.15 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1s4d s PRO 27 Cb -1.05 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 31.53 1s4d s PRO 27 CO 0.64 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.84 1s4d n GLY 28 N -1.29 2.98 0.13 0.56 0.00 -1.26 -4.55 105.19 101.76 1s4d n GLY 28 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 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 0.40 -4.77 0.99 4.77 -0.73 -4.90 117.00 112.75 1s4d n LEU 29 Ca 0.00 -0.14 -0.37 0.00 -0.03 0.00 0.00 56.01 55.46 1s4d n LEU 29 Cb 0.00 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1s4d n LEU 29 CO 0.00 0.07 0.86 -0.76 -1.33 0.00 0.00 177.39 176.23 1s4d s LEU 30 N -1.86 4.01 0.59 2.23 1.43 -1.26 -4.56 118.68 119.27 1s4d s LEU 30 Ca 0.40 2.41 -0.12 0.00 -1.03 0.00 0.00 54.13 55.79 1s4d s LEU 30 Cb 0.19 -4.21 -0.05 0.00 0.03 0.00 0.00 46.19 42.16 1s4d s LEU 30 CO 0.32 -1.00 1.01 0.42 0.23 0.00 0.00 176.35 177.33 1s4d s THR 31 N -1.48 4.68 0.33 5.49 -4.23 -1.26 -4.89 115.64 114.29 1s4d s THR 31 Ca 0.64 0.92 0.02 0.00 -1.18 0.00 0.00 61.69 62.08 1s4d s THR 31 Cb -0.31 -3.84 0.22 0.00 1.34 0.00 0.00 72.50 69.91 1s4d s THR 31 CO 0.38 -1.04 1.94 -0.07 -0.54 0.00 0.00 174.62 175.29 1s4d h LEU 32 N -0.04 0.70 -0.75 4.79 3.38 -1.98 0.32 115.31 121.73 1s4d h LEU 32 Ca -0.45 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 57.52 1s4d h LEU 32 Cb 1.19 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 1s4d h LEU 32 CO 0.62 0.59 0.45 0.45 0.09 0.00 0.00 178.44 180.64 1s4d h HIS 33 N 0.79 0.83 -0.31 1.13 3.86 -1.98 -0.79 115.15 118.68 1s4d h HIS 33 Ca 0.20 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 1s4d h HIS 33 Cb 0.07 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 1s4d h HIS 33 CO 0.01 0.42 0.10 0.00 0.86 0.00 0.00 177.93 179.32 1s4d h ALA 34 N 1.36 0.41 -0.31 2.45 0.00 -1.39 -1.08 119.26 120.71 1s4d h ALA 34 Ca 0.33 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1s4d h ALA 34 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1s4d h ALA 34 CO -0.17 0.04 0.18 0.00 0.00 0.00 0.00 179.25 179.31 1s4d h ALA 35 N 0.94 0.39 -0.43 0.00 0.00 -0.66 0.87 119.26 120.37 1s4d h ALA 35 Ca 0.10 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1s4d h ALA 35 Cb 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1s4d h ALA 35 CO -0.00 -0.10 0.24 -0.97 0.00 0.00 0.00 179.25 178.41 1s4d h ASN 36 N 0.39 0.37 -0.41 0.00 -1.24 -1.11 -0.63 115.58 112.96 1s4d h ASN 36 Ca 0.11 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 1s4d h ASN 36 Cb 0.02 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 38.99 1s4d h ASN 36 CO -0.02 0.26 0.23 0.00 -1.29 0.00 0.00 177.43 176.61 1s4d h ALA 37 N 1.20 0.52 -0.95 1.57 0.00 -0.67 -1.60 119.26 119.34 1s4d h ALA 37 Ca 0.18 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1s4d h ALA 37 Cb 0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 1s4d h ALA 37 CO -0.10 0.04 0.61 -0.07 0.00 0.00 0.00 179.25 179.73 1s4d h LEU 38 N 0.53 0.88 -1.23 0.00 4.07 -0.62 0.11 115.31 119.05 1s4d h LEU 38 Ca 0.14 0.03 -0.07 0.00 0.08 0.00 0.00 57.88 58.06 1s4d h LEU 38 Cb 0.04 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1s4d h LEU 38 CO -0.02 0.50 -0.29 -0.09 -1.08 0.00 0.00 178.44 177.45 1s4d h ARG 39 N 0.96 0.15 -0.00 1.13 1.12 -0.18 -3.22 114.38 114.33 1s4d h ARG 39 Ca 0.45 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 59.27 1s4d h ARG 39 Cb 0.42 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.37 1s4d h ARG 39 CO -0.21 0.44 -0.21 0.00 -3.11 0.00 0.00 179.97 176.88 1s4d n GLN 40 N -4.15 2.62 -1.86 0.20 10.64 -0.61 -4.01 117.38 120.23 1s4d n GLN 40 Ca -0.01 -0.44 -0.40 0.00 -1.83 0.00 0.00 57.00 54.31 1s4d n GLN 40 Cb 0.37 -1.00 0.00 0.00 -0.86 0.00 0.00 30.24 28.76 1s4d n GLN 40 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1s4d s ALA 41 N -1.30 3.42 0.06 2.61 0.00 -0.07 -4.86 121.76 121.61 1s4d s ALA 41 Ca 0.06 1.47 -0.11 0.00 0.00 0.00 0.00 51.96 53.38 1s4d s ALA 41 Cb 0.06 -3.58 -0.30 0.00 0.00 0.00 0.00 23.12 19.31 1s4d s ALA 41 CO 0.23 -1.04 1.09 -0.44 0.00 0.00 0.00 175.76 175.60 1s4d h ASP 42 N 2.78 0.69 -3.58 0.00 3.32 -0.82 -3.42 116.42 115.38 1s4d h ASP 42 Ca -0.51 -0.70 -0.31 0.00 0.02 0.00 0.00 57.03 55.54 1s4d h ASP 42 Cb 1.25 -0.22 -0.32 0.00 0.22 0.00 0.00 39.33 40.25 1s4d h ASP 42 CO 0.63 1.54 -0.74 0.54 -1.72 0.00 0.00 179.24 179.49 1s4d s VAL 43 N -2.75 0.09 -0.23 -1.35 0.11 -1.11 -2.60 120.40 112.56 1s4d s VAL 43 Ca -0.07 0.08 -0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1s4d s VAL 43 Cb 0.06 -0.17 0.03 0.00 -1.53 0.00 0.00 36.38 34.77 1s4d s VAL 43 CO 0.92 0.10 -0.10 -0.63 -3.33 0.00 0.00 175.10 172.05 1s4d s ILE 44 N 0.74 2.54 -0.47 7.04 1.01 -0.53 -1.24 121.20 130.30 1s4d s ILE 44 Ca -0.07 -1.12 -0.13 0.00 0.00 0.00 0.00 60.65 59.33 1s4d s ILE 44 Cb -0.10 -2.28 0.09 0.00 0.01 0.00 0.00 42.46 40.18 1s4d s ILE 44 CO -0.02 0.23 0.37 -0.69 0.00 0.00 0.00 174.94 174.84 1s4d s VAL 45 N 1.27 4.83 0.35 2.92 1.01 -0.60 -0.37 120.40 129.81 1s4d s VAL 45 Ca -0.01 -1.31 0.08 0.00 0.00 0.00 0.00 61.98 60.75 1s4d s VAL 45 Cb -0.16 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1s4d s VAL 45 CO -0.07 -0.63 0.14 -1.38 0.00 0.00 0.00 175.10 173.17 1s4d s HIS 46 N 1.54 2.67 0.63 5.22 -0.00 -0.41 -0.91 115.29 124.03 1s4d s HIS 46 Ca 0.04 -0.42 0.04 0.00 -0.00 0.00 0.00 55.06 54.71 1s4d s HIS 46 Cb -0.25 -1.69 0.09 0.00 -0.00 0.00 0.00 32.58 30.74 1s4d s HIS 46 CO 0.04 0.32 0.87 -0.51 -0.00 0.00 0.00 174.74 175.45 1s4d s ASP 47 N -3.85 4.81 -0.39 7.38 -0.00 -1.14 -1.39 116.67 122.09 1s4d s ASP 47 Ca 0.38 -0.50 -0.03 0.00 -0.00 0.00 0.00 52.55 52.39 1s4d s ASP 47 Cb -0.01 -0.04 -0.13 0.00 -0.00 0.00 0.00 42.92 42.74 1s4d s ASP 47 CO 0.22 -1.52 0.89 0.00 -0.00 0.00 0.00 175.17 174.77 1s4d n ALA 48 N -2.50 0.47 -2.68 5.23 0.00 -1.26 -4.87 120.51 114.90 1s4d n ALA 48 Ca 0.14 -0.38 -0.37 0.00 0.00 0.00 0.00 53.44 52.83 1s4d n ALA 48 Cb 0.61 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 19.03 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 4.33 0.10 0.00 1.43 -1.26 -4.85 118.68 118.44 1s4d s LEU 49 Ca 0.51 0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 54.15 1s4d s LEU 49 Cb -0.33 -2.44 -0.08 0.00 0.03 0.00 0.00 46.19 43.37 1s4d s LEU 49 CO 0.22 0.19 1.43 0.58 0.23 0.00 0.00 176.35 179.00 1s4d h VAL 50 N 4.31 1.30 -3.40 -1.59 2.07 -1.91 -3.38 116.25 113.65 1s4d h VAL 50 Ca -0.46 -1.43 -0.66 0.00 0.82 0.00 0.00 66.70 64.97 1s4d h VAL 50 Cb 1.19 1.55 -0.27 0.00 -1.52 0.00 0.00 31.29 32.24 1s4d h VAL 50 CO 0.69 0.46 -0.72 0.20 0.02 0.00 0.00 177.57 178.23 1s4d s ASN 51 N -6.54 4.33 -0.11 0.57 -0.87 -1.26 -4.97 114.94 106.09 1s4d s ASN 51 Ca -0.12 -0.37 0.00 0.00 -1.57 0.00 0.00 52.86 50.80 1s4d s ASN 51 Cb 0.09 -1.74 0.12 0.00 -0.02 0.00 0.00 41.25 39.70 1s4d s ASN 51 CO 0.83 -0.01 1.49 -0.62 -2.57 0.00 0.00 177.10 176.22 1s4d n GLU 52 N 4.70 1.29 -0.11 -0.60 1.02 -1.26 -4.23 120.64 121.46 1s4d n GLU 52 Ca -0.18 -0.65 -0.17 0.00 -0.02 0.00 0.00 57.16 56.14 1s4d n GLU 52 Cb 0.51 -1.25 -0.13 0.00 -0.02 0.00 0.00 31.44 30.55 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 0.46 1.77 0.22 1.62 2.03 -1.26 -4.23 116.55 117.16 1s4d n ASP 53 Ca 0.13 -0.06 0.15 0.00 0.52 0.00 0.00 54.79 55.53 1s4d n ASP 53 Cb 0.67 -0.32 0.64 0.00 -0.72 0.00 0.00 41.12 41.39 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 -1.32 0.00 3.38 -1.87 -2.24 115.31 113.26 1s4d h LEU 55 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s4d h LEU 55 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1s4d h LEU 55 CO 0.00 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.64 1s4d h LYS 56 N 0.00 0.00 0.00 1.13 1.79 -1.58 -2.04 116.57 115.88 1s4d h LYS 56 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1s4d h LYS 56 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1s4d h LYS 56 CO 0.00 0.00 -0.01 1.25 -1.08 0.00 0.00 179.45 179.61 1s4d h LEU 57 N 0.00 0.00 -9.93 2.94 5.85 -1.60 -3.47 115.31 109.10 1s4d h LEU 57 Ca 0.00 -0.00 -0.56 0.00 0.84 0.00 0.00 57.88 58.16 1s4d h LEU 57 Cb 0.12 0.00 0.13 0.00 0.37 0.00 0.00 40.66 41.28 1s4d h LEU 57 CO 0.00 0.00 0.58 0.00 -0.34 0.00 0.00 178.44 178.68 1s4d n ALA 58 N -1.92 1.58 -1.49 1.25 0.00 -0.77 -4.09 120.51 115.08 1s4d n ALA 58 Ca 0.05 0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.37 1s4d n ALA 58 Cb 0.47 -2.32 0.06 0.00 0.00 0.00 0.00 19.45 17.66 1s4d n ALA 58 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1s4d s ARG 59 N -2.45 2.55 -0.23 0.00 1.70 -1.22 -4.65 118.95 114.66 1s4d s ARG 59 Ca 0.64 1.64 -0.10 0.00 -0.47 0.00 0.00 55.73 57.44 1s4d s ARG 59 Cb -0.46 -1.90 -0.06 0.00 -0.57 0.00 0.00 34.95 31.96 1s4d s ARG 59 CO 0.56 -1.49 0.68 -2.30 -1.08 0.00 0.00 175.30 171.67 1s4d n PRO 60 N -2.37 0.00 0.00 3.89 -0.01 -1.26 -2.87 135.00 132.38 1s4d n PRO 60 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.61 1s4d n PRO 60 Cb 0.51 -0.41 0.00 0.00 -0.01 0.00 0.00 33.50 33.59 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 1.87 0.00 3.28 -1.23 0.00 -1.26 -4.99 105.19 102.85 1s4d n GLY 61 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 1.71 -0.23 4.61 0.00 -1.14 -5.06 121.76 121.65 1s4d s ALA 62 Ca 0.00 -1.31 -0.41 0.00 0.00 0.00 0.00 51.96 50.24 1s4d s ALA 62 Cb 0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 23.12 22.79 1s4d s ALA 62 CO 0.00 0.22 1.58 0.28 0.00 0.00 0.00 175.76 177.84 1s4d n VAL 63 N 0.68 0.16 -3.16 0.00 0.31 -1.07 -4.74 118.33 110.50 1s4d n VAL 63 Ca -0.16 -0.03 -0.38 0.00 -0.01 0.00 0.00 64.34 63.75 1s4d n VAL 63 Cb 0.56 -0.89 -0.06 0.00 -0.91 0.00 0.00 33.84 32.54 1s4d n VAL 63 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1s4d s LEU 64 N 2.53 4.52 -0.28 7.52 2.01 -1.26 -1.45 118.68 132.27 1s4d s LEU 64 Ca 0.96 1.40 -0.04 0.00 0.01 0.00 0.00 54.13 56.47 1s4d s LEU 64 Cb -1.15 -3.13 0.09 0.00 0.01 0.00 0.00 46.19 42.01 1s4d s LEU 64 CO 0.65 0.22 0.12 -1.61 1.01 0.00 0.00 176.35 176.73 1s4d s GLU 65 N -1.27 0.28 0.37 1.70 0.41 0.50 -4.93 118.70 115.76 1s4d s GLU 65 Ca 0.33 -0.56 -0.27 0.00 -0.41 0.00 0.00 54.97 54.06 1s4d s GLU 65 Cb -0.20 -1.40 -0.10 0.00 -1.78 0.00 0.00 34.13 30.65 1s4d s GLU 65 CO 0.22 -0.96 1.32 0.12 -0.49 0.00 0.00 175.26 175.47 1s4d s PHE 66 N 2.02 2.88 0.00 1.61 5.36 -1.26 -1.29 117.98 127.30 1s4d s PHE 66 Ca 0.08 1.39 0.00 0.00 -0.96 0.00 0.00 56.93 57.44 1s4d s PHE 66 Cb -0.16 -3.71 0.00 0.00 -0.34 0.00 0.00 43.02 38.81 1s4d s PHE 66 CO -0.31 -2.09 0.67 0.00 -1.46 0.00 0.00 175.22 172.03 1s4d n ALA 67 N 0.42 1.37 -2.04 11.12 0.00 -0.49 -4.86 120.51 126.03 1s4d n ALA 67 Ca 0.02 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1s4d n ALA 67 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1s4d n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 68 N -0.18 1.58 3.70 0.00 0.00 -1.26 -4.74 105.19 104.28 1s4d n GLY 68 Ca 0.00 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 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 1.76 4.26 -0.81 1.61 -2.85 -1.26 -4.61 119.74 117.84 1s4d s LYS 69 Ca 0.00 2.16 0.02 0.00 -1.00 0.00 0.00 55.97 57.15 1s4d s LYS 69 Cb 0.00 -3.38 0.29 0.00 -2.06 0.00 0.00 37.83 32.68 1s4d s LYS 69 CO 0.00 -0.57 1.15 0.54 0.10 0.00 0.00 175.35 176.58 1s4d n ARG 70 N 4.64 3.65 0.00 1.78 1.74 -1.26 -5.04 116.66 122.17 1s4d n ARG 70 Ca 0.13 -4.68 0.00 0.00 -0.77 0.00 0.00 57.85 52.53 1s4d n ARG 70 Cb 0.41 -2.36 0.00 0.00 -1.02 0.00 0.00 32.46 29.50 1s4d n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s4d n GLY 71 N 0.63 -0.37 0.00 -0.13 0.00 -1.26 -5.01 105.19 99.06 1s4d n GLY 71 Ca 0.31 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1s4d n GLY 71 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1s4d n PRO 74 N 0.00 0.00 -4.18 1.61 -0.04 -1.26 -5.35 135.00 125.78 1s4d n PRO 74 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1s4d n PRO 74 Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 1s4d n PRO 74 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1s4d s SER 75 N 0.00 0.37 -0.22 3.54 0.01 -1.26 -4.66 113.70 111.47 1s4d s SER 75 Ca 0.00 -1.26 -0.09 0.00 1.31 0.00 0.00 55.95 55.91 1s4d s SER 75 Cb 0.00 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 66.49 1s4d s SER 75 CO 0.00 -0.75 0.11 -2.16 0.41 0.00 0.00 173.24 170.85 1s4d s PRO 76 N -4.07 3.97 0.37 12.44 0.05 -1.26 -5.03 135.00 141.47 1s4d s PRO 76 Ca 0.29 -0.33 -0.26 0.00 0.05 0.00 0.00 61.00 60.74 1s4d s PRO 76 Cb 0.07 -3.38 -0.09 0.00 0.05 0.00 0.00 34.50 31.16 1s4d s PRO 76 CO 0.05 0.10 1.16 0.21 0.05 0.00 0.00 177.00 178.58 1s4d s LYS 77 N 0.88 4.22 0.29 4.56 2.47 -1.26 -4.87 119.74 126.02 1s4d s LYS 77 Ca 0.06 1.85 -0.04 0.00 -1.56 0.00 0.00 55.97 56.27 1s4d s LYS 77 Cb -0.13 -2.81 0.57 0.00 -1.46 0.00 0.00 37.83 33.99 1s4d s LYS 77 CO 0.03 -0.18 1.57 0.37 0.16 0.00 0.00 175.35 177.30 1s4d h GLN 78 N 2.94 0.01 -0.84 4.03 5.75 -1.99 0.15 115.11 125.16 1s4d h GLN 78 Ca -0.48 -0.00 0.14 0.00 -0.15 0.00 0.00 58.65 58.15 1s4d h GLN 78 Cb 1.23 -0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.64 1s4d h GLN 78 CO 0.64 0.01 -0.31 -2.13 -2.65 0.00 0.00 178.83 174.38 1s4d n ARG 79 N -5.55 -0.18 -0.06 1.69 0.63 -1.26 0.06 116.66 111.99 1s4d n ARG 79 Ca 0.18 1.30 -0.12 0.00 -0.92 0.00 0.00 57.85 58.29 1s4d n ARG 79 Cb 0.60 -1.93 -0.06 0.00 0.45 0.00 0.00 32.46 31.51 1s4d n ARG 79 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1s4d h ASP 80 N 0.00 0.33 -0.09 6.15 3.32 -1.08 -0.88 116.42 124.16 1s4d h ASP 80 Ca 0.31 -0.36 0.04 0.00 0.02 0.00 0.00 57.03 57.04 1s4d h ASP 80 Cb 0.52 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 1s4d h ASP 80 CO -0.84 0.61 -0.16 0.40 -1.72 0.00 0.00 179.24 177.54 1s4d h ILE 81 N 0.04 0.59 -0.29 0.35 2.04 -0.86 0.14 117.51 119.51 1s4d h ILE 81 Ca 0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1s4d h ILE 81 Cb 0.47 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1s4d h ILE 81 CO 0.02 0.00 0.04 0.28 0.00 0.00 0.00 178.15 178.48 1s4d h SER 82 N -0.21 -0.03 0.43 1.72 0.02 -0.34 -2.52 113.55 112.62 1s4d h SER 82 Ca 0.08 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1s4d h SER 82 Cb 0.33 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1s4d h SER 82 CO -0.22 0.02 -0.29 -0.07 -1.14 0.00 0.00 176.83 175.13 1s4d h LEU 83 N 0.14 0.00 -0.33 5.07 3.38 -0.60 -1.87 115.31 121.09 1s4d h LEU 83 Ca 0.14 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1s4d h LEU 83 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1s4d h LEU 83 CO -0.20 0.29 0.18 0.03 0.09 0.00 0.00 178.44 178.83 1s4d h ARG 84 N 0.00 0.36 -0.21 1.13 2.47 -0.33 -1.08 114.38 116.72 1s4d h ARG 84 Ca -0.00 -0.02 0.06 0.00 -1.26 0.00 0.00 59.98 58.75 1s4d h ARG 84 Cb 0.58 -0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 28.76 1s4d h ARG 84 CO 0.04 0.24 -0.20 -0.07 0.56 0.00 0.00 179.97 180.54 1s4d h LEU 85 N 0.37 -0.64 -0.85 3.04 3.38 -0.96 0.68 115.31 120.34 1s4d h LEU 85 Ca 0.14 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1s4d h LEU 85 Cb 0.03 0.31 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1s4d h LEU 85 CO -0.08 -0.24 0.47 -0.37 0.09 0.00 0.00 178.44 178.31 1s4d h VAL 86 N -0.21 1.25 0.18 1.22 -1.51 -1.45 0.44 116.25 116.16 1s4d h VAL 86 Ca 0.13 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1s4d h VAL 86 Cb 0.40 0.10 -0.02 0.00 -2.13 0.00 0.00 31.29 29.65 1s4d h VAL 86 CO -0.34 0.27 -0.18 -0.08 -1.23 0.00 0.00 177.57 176.02 1s4d h GLU 87 N 1.18 -0.38 -0.42 5.19 4.81 -0.40 0.20 114.58 124.76 1s4d h GLU 87 Ca 0.30 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.61 1s4d h GLU 87 Cb 0.01 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 1s4d h GLU 87 CO -0.05 -0.25 0.11 -0.07 -0.73 0.00 0.00 179.01 178.02 1s4d h LEU 88 N -0.39 0.07 -0.23 1.64 4.07 -0.68 -2.78 115.31 117.01 1s4d h LEU 88 Ca 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 1s4d h LEU 88 Cb 0.37 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1s4d h LEU 88 CO -0.04 0.07 0.12 0.00 -1.08 0.00 0.00 178.44 177.51 1s4d h ALA 89 N 1.30 0.30 0.00 1.53 0.00 -0.60 -2.62 119.26 119.17 1s4d h ALA 89 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1s4d h ALA 89 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1s4d h ALA 89 CO -0.24 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 178.85 1s4d h ARG 90 N 0.25 0.00 -0.67 0.00 -0.00 -0.51 -1.13 114.38 112.33 1s4d h ARG 90 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.56 1s4d h ARG 90 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.06 1s4d h ARG 90 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.97 179.96 1s4d n ALA 91 N -2.08 3.36 -0.90 0.04 0.00 -1.00 -4.95 120.51 114.98 1s4d n ALA 91 Ca -0.02 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.09 1s4d n ALA 91 Cb 0.15 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 0.59 0.51 3.82 0.00 0.00 -0.43 -5.04 105.19 104.64 1s4d n GLY 92 Ca 0.20 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.32 6.86 -0.68 1.61 -0.87 -1.12 -4.62 114.94 113.79 1s4d s ASN 93 Ca 0.00 1.68 -0.26 0.00 -1.57 0.00 0.00 52.86 52.70 1s4d s ASN 93 Cb 0.00 -2.53 0.04 0.00 -0.02 0.00 0.00 41.25 38.73 1s4d s ASN 93 CO 0.00 -0.42 1.19 -0.13 -2.57 0.00 0.00 177.10 175.18 1s4d s ARG 94 N -3.35 3.26 -0.06 -0.60 0.52 -1.26 -3.93 118.95 113.54 1s4d s ARG 94 Ca 0.62 -0.21 -0.18 0.00 -0.52 0.00 0.00 55.73 55.43 1s4d s ARG 94 Cb -0.09 -4.14 -0.05 0.00 0.52 0.00 0.00 34.95 31.19 1s4d s ARG 94 CO 0.17 -1.95 0.50 0.08 0.02 0.00 0.00 175.30 174.11 1s4d s VAL 95 N 5.21 5.07 -0.22 3.52 1.01 -1.02 -0.05 120.40 133.92 1s4d s VAL 95 Ca 0.35 1.02 0.01 0.00 0.00 0.00 0.00 61.98 63.35 1s4d s VAL 95 Cb -0.09 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.51 1s4d s VAL 95 CO 0.17 0.41 -0.07 -0.22 0.00 0.00 0.00 175.10 175.39 1s4d s LEU 96 N 0.01 2.36 -0.39 3.92 2.96 -0.37 -2.20 118.68 124.97 1s4d s LEU 96 Ca 0.27 -1.04 -0.21 0.00 -0.22 0.00 0.00 54.13 52.93 1s4d s LEU 96 Cb -0.16 -1.15 0.01 0.00 0.50 0.00 0.00 46.19 45.38 1s4d s LEU 96 CO 0.13 -0.21 0.66 -0.60 -1.32 0.00 0.00 176.35 175.02 1s4d s ARG 97 N 1.43 3.56 -0.38 1.98 6.06 0.10 -1.56 118.95 130.15 1s4d s ARG 97 Ca -0.04 -0.04 -0.11 0.00 -2.50 0.00 0.00 55.73 53.04 1s4d s ARG 97 Cb -0.18 -3.86 0.03 0.00 0.06 0.00 0.00 34.95 31.01 1s4d s ARG 97 CO -0.07 -0.85 0.21 -1.17 -2.50 0.00 0.00 175.30 170.92 1s4d s LEU 98 N 2.83 4.74 -0.03 -0.88 1.98 -0.09 -0.42 118.68 126.81 1s4d s LEU 98 Ca 0.25 -1.01 0.01 0.00 -2.89 0.00 0.00 54.13 50.49 1s4d s LEU 98 Cb -0.14 -2.02 -0.03 0.00 0.66 0.00 0.00 46.19 44.65 1s4d s LEU 98 CO 0.17 -0.39 -0.04 -0.54 -1.89 0.00 0.00 176.35 173.66 1s4d s LYS 99 N 1.55 2.75 0.31 1.98 -0.14 0.25 -2.88 119.74 123.56 1s4d s LYS 99 Ca 0.02 -0.59 -0.29 0.00 -1.36 0.00 0.00 55.97 53.75 1s4d s LYS 99 Cb -0.19 -2.63 -0.11 0.00 -1.68 0.00 0.00 37.83 33.22 1s4d s LYS 99 CO 0.07 0.64 1.52 0.20 -0.76 0.00 0.00 175.35 177.02 1s4d s GLY 100 N -1.21 2.41 0.00 -3.33 0.00 -1.26 0.11 107.32 104.04 1s4d s GLY 100 Ca 0.16 1.51 0.00 0.00 0.00 0.00 0.00 44.72 46.39 1s4d s GLY 100 CO 0.06 2.39 0.00 0.61 0.00 0.00 0.00 173.10 176.16 1s4d n GLY 101 N 1.65 1.97 3.64 0.20 0.00 -0.04 -4.60 105.19 108.02 1s4d n GLY 101 Ca 0.06 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 4.95 0.60 1.61 2.15 -1.25 -2.21 116.67 118.52 1s4d s ASP 102 Ca 0.00 0.02 0.40 0.00 0.43 0.00 0.00 52.55 53.40 1s4d s ASP 102 Cb 0.00 -1.29 2.04 0.00 -0.30 0.00 0.00 42.92 43.37 1s4d s ASP 102 CO 0.00 0.34 2.21 -0.65 -0.17 0.00 0.00 175.17 176.90 1s4d h PRO 103 N 4.90 0.00 -0.03 4.34 0.11 -1.83 -2.99 132.00 136.51 1s4d h PRO 103 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1s4d h PRO 103 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1s4d h PRO 103 CO 0.54 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.52 1s4d n PHE 104 N -3.00 0.03 -3.28 0.65 0.99 -1.26 -2.17 117.46 109.41 1s4d n PHE 104 Ca -0.02 -0.05 -0.41 0.00 -0.00 0.00 0.00 57.45 56.96 1s4d n PHE 104 Cb 0.13 -0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 38.60 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 0.36 4.41 -1.80 -4.37 0.31 -1.13 -4.67 118.33 111.45 1s4d n VAL 105 Ca 0.04 -5.52 0.00 0.00 -0.01 0.00 0.00 64.34 58.85 1s4d n VAL 105 Cb 0.19 -2.34 0.00 0.00 -0.91 0.00 0.00 33.84 30.78 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 2.01 0.00 -0.75 3.52 0.99 -1.26 -4.76 117.46 117.20 1s4d n PHE 106 Ca 0.25 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.77 1s4d n PHE 106 Cb 0.37 -0.90 0.10 0.00 -1.00 0.00 0.00 39.48 38.05 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 -1.19 4.33 2.97 1.37 0.00 -1.26 -4.97 105.19 106.43 1s4d n GLY 107 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.16 -1.26 -0.34 1.61 1.74 -1.26 -4.87 116.66 111.11 1s4d n ARG 108 Ca 0.11 0.32 -0.02 0.00 -0.77 0.00 0.00 57.85 57.48 1s4d n ARG 108 Cb 0.52 -4.47 0.10 0.00 -1.02 0.00 0.00 32.46 27.60 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 1.30 1.13 -0.13 0.00 -1.81 -1.26 103.07 102.30 1s4d h GLY 109 Ca 0.00 -0.48 0.05 0.00 0.00 0.00 0.00 47.33 46.90 1s4d h GLY 109 CO 0.00 0.45 0.46 -1.33 0.00 0.00 0.00 176.54 176.13 1s4d h GLY 110 N 1.23 0.95 0.79 4.60 0.00 -1.90 -1.19 103.07 107.54 1s4d h GLY 110 Ca 0.34 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1s4d h GLY 110 CO -0.08 0.25 -0.23 -2.09 0.00 0.00 0.00 176.54 174.39 1s4d h GLU 111 N 0.79 -0.62 -0.54 4.80 4.81 -1.66 -1.71 114.58 120.45 1s4d h GLU 111 Ca 0.29 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.67 1s4d h GLU 111 Cb 0.16 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 29.58 1s4d h GLU 111 CO -0.09 -0.32 -0.11 0.93 -0.73 0.00 0.00 179.01 178.69 1s4d h GLU 112 N -0.87 0.02 -0.54 1.92 5.08 -1.16 -1.50 114.58 117.53 1s4d h GLU 112 Ca -0.07 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1s4d h GLU 112 Cb 0.58 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1s4d h GLU 112 CO 0.11 0.01 -0.03 0.00 -1.00 0.00 0.00 179.01 178.10 1s4d h ALA 113 N 1.53 0.93 0.02 3.43 0.00 -1.21 -0.79 119.26 123.18 1s4d h ALA 113 Ca 0.27 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1s4d h ALA 113 Cb 0.41 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1s4d h ALA 113 CO -0.54 0.64 -0.16 -0.07 0.00 0.00 0.00 179.25 179.12 1s4d h LEU 114 N 0.86 -0.45 -0.51 0.00 3.38 -0.78 -1.86 115.31 115.95 1s4d h LEU 114 Ca 0.15 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.29 1s4d h LEU 114 Cb 0.55 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 1s4d h LEU 114 CO 0.03 -0.22 -0.01 0.74 0.09 0.00 0.00 178.44 179.07 1s4d h THR 115 N -0.27 0.59 -0.28 0.22 2.02 -0.97 -1.84 112.91 112.37 1s4d h THR 115 Ca 0.04 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 67.25 1s4d h THR 115 Cb 0.33 0.48 -0.08 0.00 -1.74 0.00 0.00 68.15 67.14 1s4d h THR 115 CO -0.13 0.02 -0.34 -0.07 0.37 0.00 0.00 175.52 175.36 1s4d h LEU 116 N 0.11 -1.11 -0.56 2.58 4.07 -0.55 -2.77 115.31 117.09 1s4d h LEU 116 Ca 0.26 0.18 -0.06 0.00 0.08 0.00 0.00 57.88 58.33 1s4d h LEU 116 Cb 0.39 0.49 -0.02 0.00 1.08 0.00 0.00 40.66 42.60 1s4d h LEU 116 CO -0.43 -0.35 0.10 -0.37 -1.08 0.00 0.00 178.44 176.31 1s4d h VAL 117 N -0.33 1.25 0.00 1.22 -1.51 -0.99 -1.30 116.25 114.59 1s4d h VAL 117 Ca 0.13 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 1s4d h VAL 117 Cb 0.55 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1s4d h VAL 117 CO -0.46 0.35 0.70 -0.08 -1.23 0.00 0.00 177.57 176.84 1s4d h GLU 118 N 0.81 0.00 0.00 5.19 4.81 -1.07 0.23 114.58 124.55 1s4d h GLU 118 Ca 0.17 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1s4d h GLU 118 Cb 0.40 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.67 1s4d h GLU 118 CO 0.01 0.00 -0.61 0.72 -0.73 0.00 0.00 179.01 178.40 1s4d n HIS 119 N -2.47 0.00 -3.35 0.92 8.25 -0.57 -5.00 115.22 113.00 1s4d n HIS 119 Ca -0.01 -1.12 -0.21 0.00 -0.26 0.00 0.00 57.72 56.12 1s4d n HIS 119 Cb 0.72 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 31.60 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 -0.65 -2.66 -3.37 -0.41 3.00 0.81 -4.95 117.38 109.14 1s4d n GLN 120 Ca 0.14 0.30 -0.39 0.00 -0.01 0.00 0.00 57.00 57.04 1s4d n GLN 120 Cb 0.81 -4.92 -0.09 0.00 0.00 0.00 0.00 30.24 26.04 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 -2.76 5.16 0.40 5.09 1.01 -0.71 -5.01 120.40 123.59 1s4d s VAL 121 Ca 0.37 0.62 -0.25 0.00 0.00 0.00 0.00 61.98 62.72 1s4d s VAL 121 Cb -0.21 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 1s4d s VAL 121 CO 0.46 0.16 1.15 -2.84 0.00 0.00 0.00 175.10 174.03 1s4d s PRO 122 N 2.04 4.05 0.13 2.72 0.02 -1.26 -4.05 135.00 138.66 1s4d s PRO 122 Ca 0.16 1.80 -0.03 0.00 0.02 0.00 0.00 61.00 62.95 1s4d s PRO 122 Cb -0.16 -2.65 -0.03 0.00 0.02 0.00 0.00 34.50 31.68 1s4d s PRO 122 CO 0.10 -0.31 0.09 -0.59 -0.33 0.00 0.00 177.00 175.96 1s4d s PHE 123 N -1.45 0.72 0.08 6.54 -0.12 -1.26 -2.33 117.98 120.16 1s4d s PHE 123 Ca 0.57 -1.11 0.05 0.00 -0.05 0.00 0.00 56.93 56.39 1s4d s PHE 123 Cb -0.30 -0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 41.68 1s4d s PHE 123 CO 0.37 -0.54 -0.14 0.50 -0.05 0.00 0.00 175.22 175.36 1s4d s ARG 124 N -4.01 0.85 -0.15 1.99 3.52 -0.95 -4.97 118.95 115.23 1s4d s ARG 124 Ca 0.20 -1.02 -0.03 0.00 -0.13 0.00 0.00 55.73 54.75 1s4d s ARG 124 Cb 0.07 -0.79 -0.03 0.00 -1.56 0.00 0.00 34.95 32.64 1s4d s ARG 124 CO -0.00 0.17 -0.05 0.42 -0.81 0.00 0.00 175.30 175.02 1s4d s ILE 125 N -1.56 3.75 -0.38 4.11 -1.09 -1.26 -1.67 121.20 123.11 1s4d s ILE 125 Ca 0.01 -0.41 -0.02 0.00 -2.23 0.00 0.00 60.65 58.00 1s4d s ILE 125 Cb -0.08 -2.63 0.09 0.00 -1.58 0.00 0.00 42.46 38.26 1s4d s ILE 125 CO 0.02 0.50 0.14 -0.69 -1.23 0.00 0.00 174.94 173.68 1s4d s VAL 126 N 0.33 3.11 0.59 2.92 1.01 -0.33 -4.97 120.40 123.07 1s4d s VAL 126 Ca -0.05 -1.93 -0.18 0.00 0.00 0.00 0.00 61.98 59.82 1s4d s VAL 126 Cb -0.14 -3.07 -0.09 0.00 0.00 0.00 0.00 36.38 33.07 1s4d s VAL 126 CO 0.03 -0.55 0.37 -2.65 0.00 0.00 0.00 175.10 172.31 1s4d n PRO 127 N 4.56 0.37 -4.34 2.72 -0.02 -1.26 -1.13 135.00 135.89 1s4d n PRO 127 Ca -0.04 0.15 -0.18 0.00 -2.02 0.00 0.00 63.50 61.41 1s4d n PRO 127 Cb 0.42 -1.57 -0.10 0.00 -0.02 0.00 0.00 33.50 32.22 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 -1.18 1.81 0.03 -1.23 0.00 -1.26 -4.37 107.32 101.12 1s4d s GLY 128 Ca 0.65 -1.90 -0.30 0.00 0.00 0.00 0.00 44.72 43.17 1s4d s GLY 128 CO 0.58 -1.64 1.16 -0.42 0.00 0.00 0.00 173.10 172.78 1s4d s ILE 129 N -3.66 4.22 0.05 0.90 -1.09 -1.26 -4.35 121.20 116.01 1s4d s ILE 129 Ca 0.38 1.59 -0.06 0.00 -2.23 0.00 0.00 60.65 60.32 1s4d s ILE 129 Cb 0.08 -4.02 -0.05 0.00 -1.58 0.00 0.00 42.46 36.89 1s4d s ILE 129 CO 0.14 0.10 0.29 0.28 -1.23 0.00 0.00 174.94 174.52 1s4d s THR 130 N 1.31 5.27 0.39 2.92 -1.32 -1.26 -3.44 115.64 119.51 1s4d s THR 130 Ca 0.57 0.10 0.10 0.00 -1.21 0.00 0.00 61.69 61.25 1s4d s THR 130 Cb -0.27 -3.59 0.31 0.00 -1.51 0.00 0.00 72.50 67.44 1s4d s THR 130 CO 0.27 0.27 1.96 0.00 -2.21 0.00 0.00 174.62 174.91 1s4d h ALA 131 N 3.64 1.86 0.00 11.08 0.00 -1.95 -0.32 119.26 133.57 1s4d h ALA 131 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1s4d h ALA 131 Cb 1.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1s4d h ALA 131 CO 0.68 0.01 0.00 0.78 0.00 0.00 0.00 179.25 180.72 1s4d h GLY 132 N 0.60 0.00 0.00 0.00 0.00 -1.96 -2.41 103.07 99.29 1s4d h GLY 132 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1s4d h GLY 132 CO -0.11 0.00 -0.39 1.39 0.00 0.00 0.00 176.54 177.43 1s4d n ILE 133 N -2.35 0.92 -0.06 2.60 5.41 -0.79 -4.61 119.36 120.48 1s4d n ILE 133 Ca 0.01 0.26 -0.13 0.00 1.00 0.00 0.00 62.75 63.89 1s4d n ILE 133 Cb 0.19 -1.61 -0.07 0.00 -0.71 0.00 0.00 39.64 37.44 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 -0.08 0.44 0.35 7.39 0.00 -1.24 -2.05 103.07 107.89 1s4d h GLY 134 Ca -0.02 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 46.86 1s4d h GLY 134 CO -0.01 0.42 -0.40 -1.33 0.00 0.00 0.00 176.54 175.22 1s4d h GLY 135 N 0.04 -0.83 -0.49 4.60 0.00 -1.49 0.26 103.07 105.17 1s4d h GLY 135 Ca 0.02 0.48 0.26 0.00 0.00 0.00 0.00 47.33 48.09 1s4d h GLY 135 CO 0.04 -0.28 0.31 1.41 0.00 0.00 0.00 176.54 178.03 1s4d h LEU 136 N -0.67 0.12 -0.96 3.11 3.38 -1.47 0.96 115.31 119.78 1s4d h LEU 136 Ca 0.01 0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.24 1s4d h LEU 136 Cb 0.67 0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 1s4d h LEU 136 CO -0.20 -0.16 0.62 0.00 0.09 0.00 0.00 178.44 178.79 1s4d h ALA 137 N 1.81 1.31 0.00 1.53 0.00 -0.22 0.15 119.26 123.84 1s4d h ALA 137 Ca 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1s4d h ALA 137 Cb 1.26 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1s4d h ALA 137 CO -0.65 0.44 0.00 0.66 0.00 0.00 0.00 179.25 179.70 1s4d n TYR 138 N -4.51 0.78 0.53 0.00 4.02 0.32 -1.28 117.16 117.01 1s4d n TYR 138 Ca 0.14 0.36 0.12 0.00 -0.01 0.00 0.00 57.90 58.51 1s4d n TYR 138 Cb 0.15 -1.08 0.24 0.00 -0.02 0.00 0.00 39.34 38.63 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 -1.78 2.44 -1.46 -0.72 0.00 0.47 -4.64 120.51 114.82 1s4d n ALA 139 Ca 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 53.44 52.47 1s4d n ALA 139 Cb 0.12 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 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 1.43 0.83 3.16 0.00 0.00 -0.41 -4.69 105.19 105.50 1s4d n GLY 140 Ca 0.19 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.35 2.99 0.29 -0.61 1.01 -0.93 -3.53 121.20 118.07 1s4d s ILE 141 Ca 0.00 -1.53 -0.28 0.00 0.00 0.00 0.00 60.65 58.84 1s4d s ILE 141 Cb 0.00 -2.79 -0.09 0.00 0.01 0.00 0.00 42.46 39.59 1s4d s ILE 141 CO 0.00 -0.21 1.00 -2.16 0.00 0.00 0.00 174.94 173.56 1s4d s PRO 142 N 1.22 4.64 0.51 2.79 0.04 -1.26 -3.77 135.00 139.16 1s4d s PRO 142 Ca -0.03 1.53 0.30 0.00 0.04 0.00 0.00 61.00 62.84 1s4d s PRO 142 Cb -0.20 -3.04 1.16 0.00 0.04 0.00 0.00 34.50 32.46 1s4d s PRO 142 CO -0.02 0.29 1.91 -0.39 0.04 0.00 0.00 177.00 178.84 1s4d h VAL 143 N 2.87 0.20 -3.96 -0.36 -1.51 -1.89 -3.44 116.25 108.17 1s4d h VAL 143 Ca -0.46 -0.75 -0.32 0.00 -1.23 0.00 0.00 66.70 63.94 1s4d h VAL 143 Cb 1.20 1.62 -0.24 0.00 -2.13 0.00 0.00 31.29 31.75 1s4d h VAL 143 CO 0.66 0.08 -0.75 0.42 -1.23 0.00 0.00 177.57 176.75 1s4d s THR 144 N -3.65 0.62 -0.23 7.19 -4.23 -1.26 -4.84 115.64 109.24 1s4d s THR 144 Ca 0.01 -0.84 -0.12 0.00 -1.18 0.00 0.00 61.69 59.56 1s4d s THR 144 Cb 0.09 -0.62 0.07 0.00 1.34 0.00 0.00 72.50 73.39 1s4d s THR 144 CO 0.58 -0.17 0.56 -2.28 -0.54 0.00 0.00 174.62 172.77 1s4d s HIS 145 N -0.94 -0.88 0.18 3.99 5.04 -1.26 -5.03 115.29 116.39 1s4d s HIS 145 Ca -0.04 1.77 -0.24 0.00 -1.54 0.00 0.00 55.06 55.01 1s4d s HIS 145 Cb -0.07 0.48 0.08 0.00 0.04 0.00 0.00 32.58 33.10 1s4d s HIS 145 CO 0.00 -0.46 1.56 -0.09 -2.34 0.00 0.00 174.74 173.42 1s4d h ARG 146 N 7.17 -0.14 0.00 2.88 1.12 -2.02 0.15 114.38 123.54 1s4d h ARG 146 Ca -0.31 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.57 1s4d h ARG 146 Cb 1.20 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.19 1s4d h ARG 146 CO 0.21 -0.09 0.04 0.93 -3.11 0.00 0.00 179.97 177.95 1s4d h GLU 147 N -0.14 0.00 0.00 0.20 5.08 -2.07 -3.35 114.58 114.30 1s4d h GLU 147 Ca 0.22 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.39 1s4d h GLU 147 Cb 0.55 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1s4d h GLU 147 CO -0.78 0.00 -1.65 0.28 -1.00 0.00 0.00 179.01 175.86 1s4d n VAL 148 N -2.70 0.63 -3.78 3.13 0.31 0.47 -5.06 118.33 111.34 1s4d n VAL 148 Ca -0.02 -0.17 -0.13 0.00 -0.01 0.00 0.00 64.34 64.01 1s4d n VAL 148 Cb 0.09 -1.59 -0.11 0.00 -0.91 0.00 0.00 33.84 31.32 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 -5.96 -0.27 0.00 4.52 4.22 -0.85 -4.91 114.94 111.69 1s4d s ASN 149 Ca -0.16 0.48 0.15 0.00 -2.14 0.00 0.00 52.86 51.18 1s4d s ASN 149 Cb 0.06 0.54 0.00 0.00 1.28 0.00 0.00 41.25 43.13 1s4d s ASN 149 CO 0.21 -0.17 0.81 1.41 -2.04 0.00 0.00 177.10 177.32 1s4d n HIS 150 N 2.59 0.00 -4.14 1.54 8.25 -1.26 -4.27 115.22 117.93 1s4d n HIS 150 Ca -0.15 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.18 1s4d n HIS 150 Cb 0.58 0.00 -0.11 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 -1.73 0.93 -0.05 -1.41 0.00 -1.26 -5.13 121.76 113.11 1s4d s ALA 151 Ca 0.12 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1s4d s ALA 151 Cb 0.12 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.33 1s4d s ALA 151 CO 0.35 -0.08 0.12 0.08 0.00 0.00 0.00 175.76 176.23 1s4d s VAL 152 N -2.43 -0.04 -0.15 0.00 1.01 -1.26 -3.96 120.40 113.56 1s4d s VAL 152 Ca 0.03 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.11 1s4d s VAL 152 Cb -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 1s4d s VAL 152 CO -0.01 0.06 -0.02 -0.89 0.00 0.00 0.00 175.10 174.24 1s4d s THR 153 N 0.88 4.08 -0.19 3.92 2.01 -0.98 -5.04 115.64 120.32 1s4d s THR 153 Ca -0.07 -0.29 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 1s4d s THR 153 Cb -0.09 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 1s4d s THR 153 CO -0.04 0.50 0.02 -0.36 -0.69 0.00 0.00 174.62 174.05 1s4d s PHE 154 N 0.24 3.11 0.11 4.92 0.40 -1.26 -1.21 117.98 124.29 1s4d s PHE 154 Ca -0.01 -0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1s4d s PHE 154 Cb -0.14 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.28 1s4d s PHE 154 CO 0.02 -0.07 0.02 -0.48 0.70 0.00 0.00 175.22 175.41 1s4d s LEU 155 N 0.73 2.06 -0.05 -0.37 2.34 -0.52 -5.00 118.68 117.87 1s4d s LEU 155 Ca 0.01 -1.13 -0.00 0.00 0.06 0.00 0.00 54.13 53.07 1s4d s LEU 155 Cb -0.14 0.22 -0.03 0.00 -0.56 0.00 0.00 46.19 45.68 1s4d s LEU 155 CO 0.02 -0.66 -0.01 0.28 -1.06 0.00 0.00 176.35 174.91 1s4d s THR 156 N -3.96 4.14 0.42 5.48 -1.32 -1.26 -0.66 115.64 118.49 1s4d s THR 156 Ca 0.18 -0.42 -0.09 0.00 -1.21 0.00 0.00 61.69 60.14 1s4d s THR 156 Cb 0.07 -2.77 -0.06 0.00 -1.51 0.00 0.00 72.50 68.23 1s4d s THR 156 CO -0.02 0.52 0.78 -0.83 -2.21 0.00 0.00 174.62 172.85 1s4d s GLY 157 N -1.12 1.85 0.00 6.08 0.00 -0.17 -4.94 107.32 109.02 1s4d s GLY 157 Ca 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.61 1s4d s GLY 157 CO 0.05 -0.07 0.00 1.42 0.00 0.00 0.00 173.10 174.50 1s4d n HIS 158 N -1.51 0.00 -3.85 1.90 -0.00 -1.26 -4.71 115.22 105.79 1s4d n HIS 158 Ca 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.67 1s4d n HIS 158 Cb 0.54 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.51 1s4d n HIS 158 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1s4d s ASP 166 N -1.82 -0.26 -0.37 0.41 1.01 -1.26 -5.05 116.67 109.33 1s4d s ASP 166 Ca 0.00 -0.61 -0.08 0.00 0.71 0.00 0.00 52.55 52.58 1s4d s ASP 166 Cb 0.00 0.71 0.05 0.00 1.01 0.00 0.00 42.92 44.69 1s4d s ASP 166 CO 0.00 -1.30 0.17 0.00 0.21 0.00 0.00 175.17 174.25 1s4d s ARG 167 N -3.92 2.61 -0.28 8.23 1.70 -1.26 -5.06 118.95 120.96 1s4d s ARG 167 Ca 0.12 -1.29 -0.08 0.00 -0.47 0.00 0.00 55.73 54.01 1s4d s ARG 167 Cb -0.05 -3.60 0.13 0.00 -0.57 0.00 0.00 34.95 30.87 1s4d s ARG 167 CO 0.06 -0.78 0.60 0.42 -1.08 0.00 0.00 175.30 174.52 1s4d s ILE 168 N 1.41 -0.93 -1.04 4.99 1.01 -1.26 -5.08 121.20 120.30 1s4d s ILE 168 Ca 0.01 0.02 -0.23 0.00 0.00 0.00 0.00 60.65 60.45 1s4d s ILE 168 Cb -0.21 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 1s4d s ILE 168 CO 0.03 0.01 1.87 0.21 0.00 0.00 0.00 174.94 177.05 1s4d s ASN 169 N 2.84 5.40 0.30 3.58 2.47 -1.26 -4.76 114.94 123.51 1s4d s ASN 169 Ca 0.00 -1.24 0.02 0.00 0.42 0.00 0.00 52.86 52.06 1s4d s ASN 169 Cb -0.13 -2.57 0.48 0.00 -1.45 0.00 0.00 41.25 37.58 1s4d s ASN 169 CO -0.18 -2.59 1.83 -0.50 -3.72 0.00 0.00 177.10 171.93 1s4d h TRP 170 N 10.30 0.68 -0.18 0.43 4.06 -1.98 -1.38 115.95 127.87 1s4d h TRP 170 Ca 0.18 -0.08 -0.03 0.00 2.06 0.00 0.00 58.89 61.02 1s4d h TRP 170 Cb 0.97 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.93 1s4d h TRP 170 CO 1.24 0.64 -0.00 0.37 -3.56 0.00 0.00 178.44 177.13 1s4d h GLN 171 N 0.61 0.32 -0.76 0.49 5.75 -1.92 0.64 115.11 120.25 1s4d h GLN 171 Ca 0.13 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.55 1s4d h GLN 171 Cb 0.38 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.86 1s4d h GLN 171 CO 0.01 0.53 0.50 0.78 -2.65 0.00 0.00 178.83 178.00 1s4d h GLY 172 N 0.07 1.06 0.78 2.39 0.00 -1.73 0.72 103.07 106.36 1s4d h GLY 172 Ca 0.05 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 1s4d h GLY 172 CO 0.01 0.36 -0.09 -2.22 0.00 0.00 0.00 176.54 174.59 1s4d h ILE 173 N 0.98 1.31 0.21 2.60 2.04 -1.10 -3.30 117.51 120.25 1s4d h ILE 173 Ca 0.29 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 65.00 1s4d h ILE 173 Cb -0.04 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1s4d h ILE 173 CO -0.07 0.35 -0.28 0.00 0.00 0.00 0.00 178.15 178.15 1s4d h ALA 174 N 0.68 -0.53 -2.33 1.87 0.00 0.01 -2.42 119.26 116.54 1s4d h ALA 174 Ca 0.04 -0.07 -0.45 0.00 0.00 0.00 0.00 54.91 54.43 1s4d h ALA 174 Cb 0.58 0.42 0.15 0.00 0.00 0.00 0.00 17.79 18.94 1s4d h ALA 174 CO 0.03 -0.84 0.28 -1.12 0.00 0.00 0.00 179.25 177.60 1s4d s SER 175 N -4.75 2.94 0.00 0.00 0.01 0.16 -4.08 113.70 107.97 1s4d s SER 175 Ca -0.16 0.82 0.00 0.00 1.31 0.00 0.00 55.95 57.92 1s4d s SER 175 Cb 0.07 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 65.04 1s4d s SER 175 CO 0.64 -2.89 0.00 0.61 0.41 0.00 0.00 173.24 172.01 1s4d n GLY 176 N -2.15 0.76 2.87 3.44 0.00 -1.26 -4.73 105.19 104.13 1s4d n GLY 176 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 4.40 0.63 1.61 0.01 -0.91 -4.81 113.70 114.63 1s4d s SER 177 Ca 0.00 -3.48 0.34 0.00 1.31 0.00 0.00 55.95 54.12 1s4d s SER 177 Cb 0.00 -1.53 1.92 0.00 0.21 0.00 0.00 66.02 66.62 1s4d s SER 177 CO 0.00 -0.14 2.16 -0.65 0.41 0.00 0.00 173.24 175.02 1s4d h PRO 178 N 5.82 0.00 -5.25 12.44 0.11 -1.86 -3.38 132.00 139.88 1s4d h PRO 178 Ca 0.08 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.60 1s4d h PRO 178 Cb 0.81 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.61 1s4d h PRO 178 CO 0.67 0.00 -0.84 0.08 -0.21 0.00 0.00 178.00 177.70 1s4d s VAL 179 N -4.36 1.53 -0.04 3.15 1.01 -1.25 -4.43 120.40 115.99 1s4d s VAL 179 Ca -0.04 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1s4d s VAL 179 Cb 0.13 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 1s4d s VAL 179 CO 0.44 0.44 -0.15 -0.63 0.00 0.00 0.00 175.10 175.20 1s4d s ILE 180 N 0.16 1.30 -0.12 2.22 1.01 -0.58 -2.32 121.20 122.87 1s4d s ILE 180 Ca -0.08 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1s4d s ILE 180 Cb -0.13 -1.13 0.02 0.00 0.01 0.00 0.00 42.46 41.23 1s4d s ILE 180 CO 0.03 0.38 -0.12 -0.69 0.00 0.00 0.00 174.94 174.55 1s4d s VAL 181 N 0.12 1.32 -0.13 2.92 1.01 -0.35 -0.27 120.40 125.03 1s4d s VAL 181 Ca -0.05 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1s4d s VAL 181 Cb -0.11 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1s4d s VAL 181 CO 0.02 0.41 -0.19 -0.04 0.00 0.00 0.00 175.10 175.31 1s4d s MET 182 N 1.42 2.67 0.03 2.72 -1.94 0.26 -1.44 119.30 123.02 1s4d s MET 182 Ca 0.01 -0.72 -0.06 0.00 -1.71 0.00 0.00 55.69 53.21 1s4d s MET 182 Cb -0.13 -2.20 -0.05 0.00 2.01 0.00 0.00 34.83 34.46 1s4d s MET 182 CO -0.07 -0.05 0.29 0.71 -0.01 0.00 0.00 175.02 175.89 1s4d s TYR 183 N 0.92 3.56 -1.53 -0.03 1.51 0.17 -0.96 117.35 120.98 1s4d s TYR 183 Ca -0.06 0.56 -0.03 0.00 -1.01 0.00 0.00 57.07 56.54 1s4d s TYR 183 Cb -0.15 -1.99 0.02 0.00 -0.11 0.00 0.00 41.96 39.74 1s4d s TYR 183 CO -0.02 0.58 0.23 -1.33 -1.11 0.00 0.00 175.55 173.90 1s4d n MET 184 N 0.93 -1.86 -0.57 -0.62 2.81 -1.26 -1.00 117.12 115.55 1s4d n MET 184 Ca -0.10 0.22 0.03 0.00 -1.81 0.00 0.00 57.70 56.04 1s4d n MET 184 Cb 0.53 -4.07 0.20 0.00 -0.71 0.00 0.00 33.22 29.17 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 -4.48 3.61 -0.01 3.04 0.00 -1.26 -3.10 120.51 118.30 1s4d n ALA 185 Ca -0.27 -3.04 -0.16 0.00 0.00 0.00 0.00 53.44 49.97 1s4d n ALA 185 Cb 0.67 -0.53 -0.13 0.00 0.00 0.00 0.00 19.45 19.46 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 0.92 0.19 0.00 0.00 2.86 -1.90 -2.69 114.93 114.30 1s4d h MET 186 Ca 0.08 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1s4d h MET 186 Cb 1.28 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 33.02 1s4d h MET 186 CO 0.16 1.03 -0.03 0.87 1.06 0.00 0.00 176.91 180.01 1s4d h LYS 187 N -0.54 0.00 -0.11 1.72 6.56 -2.01 -2.97 116.57 119.22 1s4d h LYS 187 Ca -0.06 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1s4d h LYS 187 Cb 1.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1s4d h LYS 187 CO 0.07 0.03 0.00 0.72 -2.06 0.00 0.00 179.45 178.21 1s4d n HIS 188 N -3.23 0.15 -0.34 -1.35 8.25 -1.25 -4.76 115.22 112.69 1s4d n HIS 188 Ca -0.02 -0.37 0.16 0.00 -0.26 0.00 0.00 57.72 57.23 1s4d n HIS 188 Cb 0.18 -0.03 0.36 0.00 1.12 0.00 0.00 29.99 31.62 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 0.88 0.56 0.06 1.59 6.09 -1.30 -0.74 117.51 124.65 1s4d h ILE 189 Ca 0.00 -0.20 0.02 0.00 -1.37 0.00 0.00 64.86 63.31 1s4d h ILE 189 Cb 0.49 -0.07 -0.02 0.00 0.47 0.00 0.00 36.82 37.69 1s4d h ILE 189 CO 0.00 0.10 -0.15 1.23 -3.07 0.00 0.00 178.15 176.27 1s4d h GLY 190 N 0.58 -0.23 0.95 8.18 0.00 -1.86 -1.82 103.07 108.87 1s4d h GLY 190 Ca 0.61 0.17 -0.00 0.00 0.00 0.00 0.00 47.33 48.11 1s4d h GLY 190 CO -0.47 -0.14 -0.08 0.00 0.00 0.00 0.00 176.54 175.85 1s4d h ALA 191 N 0.62 -0.19 0.07 3.60 0.00 -1.52 -2.82 119.26 119.02 1s4d h ALA 191 Ca 0.03 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1s4d h ALA 191 Cb 0.30 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1s4d h ALA 191 CO -0.10 -0.61 -0.14 0.82 0.00 0.00 0.00 179.25 179.21 1s4d h ILE 192 N -0.20 0.66 -0.43 0.00 2.04 -1.30 0.07 117.51 118.35 1s4d h ILE 192 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1s4d h ILE 192 Cb 0.17 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1s4d h ILE 192 CO 0.01 0.00 0.18 0.71 0.00 0.00 0.00 178.15 179.04 1s4d h THR 193 N -0.28 1.16 -0.04 -0.27 1.35 -1.39 0.17 112.91 113.60 1s4d h THR 193 Ca 0.03 -0.49 -0.08 0.00 -0.55 0.00 0.00 66.41 65.31 1s4d h THR 193 Cb 0.30 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 67.35 1s4d h THR 193 CO -0.09 0.19 -0.37 0.00 -0.25 0.00 0.00 175.52 175.01 1s4d h ALA 194 N 1.60 1.31 -0.36 6.62 0.00 -1.12 -1.35 119.26 125.96 1s4d h ALA 194 Ca 0.15 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1s4d h ALA 194 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1s4d h ALA 194 CO -0.02 0.50 -0.37 -0.97 0.00 0.00 0.00 179.25 178.39 1s4d h ASN 195 N 0.07 0.94 -0.19 0.00 -1.24 0.13 -2.64 115.58 112.65 1s4d h ASN 195 Ca 0.01 -0.47 -0.04 0.00 0.71 0.00 0.00 56.30 56.51 1s4d h ASN 195 Cb 0.68 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 1s4d h ASN 195 CO 0.05 1.22 -0.02 -0.07 -1.29 0.00 0.00 177.43 177.32 1s4d h LEU 196 N 0.68 0.35 -0.77 0.34 3.38 -0.98 -2.05 115.31 116.27 1s4d h LEU 196 Ca 0.05 -0.34 0.09 0.00 0.09 0.00 0.00 57.88 57.78 1s4d h LEU 196 Cb 0.96 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 1s4d h LEU 196 CO 0.09 0.61 0.42 0.40 0.09 0.00 0.00 178.44 180.05 1s4d h ILE 197 N 0.09 0.89 0.00 1.22 2.04 -1.30 -0.85 117.51 119.60 1s4d h ILE 197 Ca 0.05 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1s4d h ILE 197 Cb 0.44 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1s4d h ILE 197 CO 0.01 0.13 0.00 0.00 0.00 0.00 0.00 178.15 178.29 1s4d h ALA 198 N 1.44 1.00 -0.00 1.87 0.00 -1.36 -2.18 119.26 120.02 1s4d h ALA 198 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1s4d h ALA 198 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1s4d h ALA 198 CO -0.25 0.00 -0.02 0.41 0.00 0.00 0.00 179.25 179.38 1s4d n GLY 199 N 0.46 -1.01 0.00 0.00 0.00 -0.38 -4.88 105.19 99.39 1s4d n GLY 199 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 1.17 0.85 3.77 -0.02 0.00 -0.82 -4.70 105.19 105.43 1s4d n GLY 200 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.38 4.36 0.20 1.61 1.81 -0.89 -4.99 118.95 120.68 1s4d s ARG 201 Ca 0.00 1.78 -0.31 0.00 -1.72 0.00 0.00 55.73 55.48 1s4d s ARG 201 Cb 0.00 -2.91 -0.10 0.00 -0.45 0.00 0.00 34.95 31.49 1s4d s ARG 201 CO 0.00 -0.03 1.49 0.45 -0.68 0.00 0.00 175.30 176.53 1s4d s SER 202 N -1.06 6.64 0.52 0.23 0.15 -1.26 -4.29 113.70 114.63 1s4d s SER 202 Ca 0.51 2.61 0.31 0.00 0.70 0.00 0.00 55.95 60.08 1s4d s SER 202 Cb -0.30 -2.61 1.45 0.00 -1.71 0.00 0.00 66.02 62.85 1s4d s SER 202 CO 0.38 -0.75 1.87 -0.65 1.20 0.00 0.00 173.24 175.29 1s4d h PRO 203 N 5.94 0.04 -0.15 5.44 0.11 -1.94 -1.52 132.00 139.93 1s4d h PRO 203 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 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 0.84 0.03 0.00 -0.25 -0.21 0.00 0.00 178.00 178.41 1s4d n ASP 204 N -4.28 1.78 -4.72 -2.05 8.00 -1.26 -0.99 116.55 113.03 1s4d n ASP 204 Ca 0.20 -1.69 -0.42 0.00 0.71 0.00 0.00 54.79 53.59 1s4d n ASP 204 Cb 0.99 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.97 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 -1.82 4.17 0.45 -1.24 2.12 -0.57 -4.80 118.70 117.00 1s4d s GLU 205 Ca 0.34 2.48 -0.25 0.00 0.36 0.00 0.00 54.97 57.90 1s4d s GLU 205 Cb 0.19 -3.12 -0.08 0.00 0.26 0.00 0.00 34.13 31.37 1s4d s GLU 205 CO 0.28 -0.68 1.39 -2.14 -0.54 0.00 0.00 175.26 173.57 1s4d s PRO 206 N 1.18 3.70 0.00 4.30 0.02 -1.26 -1.89 135.00 141.06 1s4d s PRO 206 Ca 0.72 2.34 -0.00 0.00 0.02 0.00 0.00 61.00 64.08 1s4d s PRO 206 Cb -0.47 -2.64 -0.01 0.00 0.02 0.00 0.00 34.50 31.41 1s4d s PRO 206 CO 0.32 -0.78 -0.00 0.08 -0.33 0.00 0.00 177.00 176.28 1s4d s VAL 207 N -1.23 0.03 -0.01 3.83 1.01 -0.23 -1.47 120.40 122.34 1s4d s VAL 207 Ca 0.61 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.33 1s4d s VAL 207 Cb -0.42 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 35.87 1s4d s VAL 207 CO 0.54 -0.15 -0.06 0.00 0.00 0.00 0.00 175.10 175.43 1s4d s ALA 208 N -0.44 0.52 -0.13 5.51 0.00 0.16 -0.55 121.76 126.83 1s4d s ALA 208 Ca -0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 51.96 51.66 1s4d s ALA 208 Cb -0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1s4d s ALA 208 CO -0.00 0.09 0.02 -0.06 0.00 0.00 0.00 175.76 175.81 1s4d s PHE 209 N 0.08 3.19 -0.22 0.00 0.08 0.08 -1.03 117.98 120.16 1s4d s PHE 209 Ca -0.01 0.08 0.01 0.00 0.12 0.00 0.00 56.93 57.13 1s4d s PHE 209 Cb -0.05 -1.92 0.05 0.00 -0.57 0.00 0.00 43.02 40.53 1s4d s PHE 209 CO -0.00 0.29 -0.09 0.08 -0.10 0.00 0.00 175.22 175.40 1s4d s VAL 210 N -0.26 1.69 -0.11 -0.44 1.01 -0.40 -1.25 120.40 120.64 1s4d s VAL 210 Ca 0.07 -1.18 -0.08 0.00 0.00 0.00 0.00 61.98 60.79 1s4d s VAL 210 Cb -0.12 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1s4d s VAL 210 CO 0.02 0.05 0.16 0.00 0.00 0.00 0.00 175.10 175.33 1s4d n ASN 212 N 2.02 -0.34 -4.35 0.00 4.13 -0.73 -1.48 115.26 114.50 1s4d n ASN 212 Ca -0.19 -1.14 -0.53 0.00 1.68 0.00 0.00 54.58 54.40 1s4d n ASN 212 Cb 0.55 -2.31 -0.06 0.00 -1.54 0.00 0.00 39.78 36.42 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 -4.44 -3.25 -2.37 5.41 0.00 -1.26 -2.46 120.51 112.13 1s4d n ALA 213 Ca -0.23 0.52 -0.18 0.00 0.00 0.00 0.00 53.44 53.55 1s4d n ALA 213 Cb 0.64 -1.65 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 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 0.82 -0.54 -2.38 0.00 0.00 -1.26 -4.52 120.51 112.62 1s4d n ALA 214 Ca 0.19 0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.58 1s4d n ALA 214 Cb 0.15 -2.03 -0.10 0.00 0.00 0.00 0.00 19.45 17.47 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 -2.90 1.77 0.32 0.00 -4.23 -1.03 -0.63 115.64 108.93 1s4d s THR 215 Ca 0.01 -2.20 0.34 0.00 -1.18 0.00 0.00 61.69 58.66 1s4d s THR 215 Cb -0.01 -2.18 0.34 0.00 1.34 0.00 0.00 72.50 71.99 1s4d s THR 215 CO 0.02 -0.49 2.03 1.55 -0.54 0.00 0.00 174.62 177.19 1s4d h PRO 216 N 2.45 0.00 -0.34 3.99 0.13 -1.94 -2.24 132.00 134.05 1s4d h PRO 216 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1s4d h PRO 216 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1s4d h PRO 216 CO 0.63 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.44 1s4d n GLN 217 N -2.71 1.72 -1.73 0.86 6.02 -1.26 -4.98 117.38 115.29 1s4d n GLN 217 Ca -0.02 -1.00 -0.42 0.00 -0.01 0.00 0.00 57.00 55.54 1s4d n GLN 217 Cb 0.09 -1.27 -0.01 0.00 1.02 0.00 0.00 30.24 30.07 1s4d n GLN 217 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1s4d n GLN 218 N 0.29 2.42 -3.78 -1.09 7.27 -0.85 -4.74 117.38 116.91 1s4d n GLN 218 Ca 0.09 0.85 -0.13 0.00 0.07 0.00 0.00 57.00 57.89 1s4d n GLN 218 Cb 0.27 -2.53 -0.12 0.00 2.41 0.00 0.00 30.24 30.27 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 -0.85 -0.54 -0.03 1.69 0.00 -0.55 -5.00 121.76 116.48 1s4d s ALA 219 Ca 0.57 0.68 0.06 0.00 0.00 0.00 0.00 51.96 53.27 1s4d s ALA 219 Cb -0.53 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1s4d s ALA 219 CO 0.60 -0.12 -0.20 0.08 0.00 0.00 0.00 175.76 176.12 1s4d s VAL 220 N 0.32 1.58 -0.18 0.00 1.01 -1.26 -1.01 120.40 120.86 1s4d s VAL 220 Ca -0.02 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1s4d s VAL 220 Cb -0.03 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 35.04 1s4d s VAL 220 CO -0.01 0.45 -0.20 -0.22 0.00 0.00 0.00 175.10 175.12 1s4d s LEU 221 N -0.32 2.16 -0.24 3.92 0.20 -0.38 -4.96 118.68 119.06 1s4d s LEU 221 Ca 0.04 -0.64 -0.09 0.00 0.69 0.00 0.00 54.13 54.13 1s4d s LEU 221 Cb -0.09 -1.49 -0.04 0.00 -0.43 0.00 0.00 46.19 44.14 1s4d s LEU 221 CO 0.00 0.00 0.13 -1.61 -0.29 0.00 0.00 176.35 174.59 1s4d s GLU 222 N 1.27 3.97 0.00 1.98 2.02 -1.26 -0.74 118.70 125.93 1s4d s GLU 222 Ca 0.04 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.71 1s4d s GLU 222 Cb -0.13 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.63 1s4d s GLU 222 CO -0.12 0.02 0.00 -2.37 0.02 0.00 0.00 175.26 172.81 1s4d n THR 223 N 4.38 0.00 -3.51 3.63 5.66 0.29 -5.01 114.28 119.71 1s4d n THR 223 Ca -0.15 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.70 1s4d n THR 223 Cb 0.52 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.25 1s4d n THR 223 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1s4d s THR 224 N 0.25 0.00 0.21 1.09 -1.32 -1.26 -1.06 115.64 113.55 1s4d s THR 224 Ca 0.00 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.38 1s4d s THR 224 Cb 0.00 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.14 1s4d s THR 224 CO 0.00 0.00 1.87 -0.07 -2.21 0.00 0.00 174.62 174.21 1s4d h LEU 225 N 2.65 0.80 -0.45 9.08 3.38 -1.24 0.20 115.31 129.74 1s4d h LEU 225 Ca -0.26 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.52 1s4d h LEU 225 Cb 1.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1s4d h LEU 225 CO 0.36 0.57 -0.68 0.00 0.09 0.00 0.00 178.44 178.79 1s4d h ALA 226 N 1.28 0.63 -0.01 1.53 0.00 -1.36 -3.29 119.26 118.04 1s4d h ALA 226 Ca 0.27 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1s4d h ALA 226 Cb -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1s4d h ALA 226 CO -0.08 0.74 -0.55 0.54 0.00 0.00 0.00 179.25 179.90 1s4d n ARG 227 N -3.88 0.74 -0.20 0.00 1.74 -1.06 -4.65 116.66 109.36 1s4d n ARG 227 Ca -0.04 -0.56 -0.01 0.00 -0.77 0.00 0.00 57.85 56.46 1s4d n ARG 227 Cb 0.67 -1.49 0.09 0.00 -1.02 0.00 0.00 32.46 30.72 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 3.55 0.76 -0.40 7.54 0.00 -0.68 -0.62 119.26 129.42 1s4d h ALA 228 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1s4d h ALA 228 Cb 0.62 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1s4d h ALA 228 CO 0.00 -0.13 0.17 1.49 0.00 0.00 0.00 179.25 180.78 1s4d h GLU 229 N 0.47 0.60 -0.15 0.00 4.22 -1.84 -1.68 114.58 116.20 1s4d h GLU 229 Ca 0.28 -0.10 -0.02 0.00 0.08 0.00 0.00 59.36 59.60 1s4d h GLU 229 Cb 0.28 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1s4d h GLU 229 CO -0.25 0.56 0.02 0.00 -2.18 0.00 0.00 179.01 177.16 1s4d h ALA 230 N 1.01 0.20 -0.14 2.92 0.00 -1.78 -2.79 119.26 118.68 1s4d h ALA 230 Ca 0.13 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1s4d h ALA 230 Cb 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1s4d h ALA 230 CO -0.01 -0.14 -0.05 -0.44 0.00 0.00 0.00 179.25 178.61 1s4d h ASP 231 N 0.03 -0.17 1.03 0.00 3.32 -1.04 -0.99 116.42 118.59 1s4d h ASP 231 Ca 0.05 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1s4d h ASP 231 Cb 0.31 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1s4d h ASP 231 CO 0.00 -0.07 -0.24 0.58 -1.72 0.00 0.00 179.24 177.79 1s4d h VAL 232 N -0.02 0.56 -0.26 -1.35 2.07 -1.38 0.33 116.25 116.19 1s4d h VAL 232 Ca 0.07 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 1s4d h VAL 232 Cb 0.13 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1s4d h VAL 232 CO -0.16 0.24 0.05 0.00 0.02 0.00 0.00 177.57 177.72 1s4d h ALA 233 N 1.76 0.34 -0.22 1.67 0.00 -1.23 -2.49 119.26 119.10 1s4d h ALA 233 Ca -0.00 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1s4d h ALA 233 Cb 0.83 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1s4d h ALA 233 CO 0.03 0.01 -0.52 0.00 0.00 0.00 0.00 179.25 178.78 1s4d h ALA 234 N 0.87 0.69 0.00 0.00 0.00 -0.49 -2.14 119.26 118.19 1s4d h ALA 234 Ca 0.08 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1s4d h ALA 234 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1s4d h ALA 234 CO 0.00 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1s4d n ALA 235 N -2.52 2.27 -1.22 0.00 0.00 0.11 -4.90 120.51 114.25 1s4d n ALA 235 Ca -0.03 -0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.23 1s4d n ALA 235 Cb 0.59 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 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 1.15 0.85 3.50 0.00 0.00 -0.80 -4.98 105.19 104.90 1s4d n GLY 236 Ca 0.09 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.84 1.45 -3.80 0.99 4.32 -1.11 -5.05 117.00 112.96 1s4d n LEU 237 Ca -0.07 0.66 -0.12 0.00 -0.02 0.00 0.00 56.01 56.46 1s4d n LEU 237 Cb 0.41 -1.24 -0.09 0.00 -1.62 0.00 0.00 43.42 40.88 1s4d n LEU 237 CO 0.11 -2.84 -0.03 -1.61 -1.22 0.00 0.00 177.39 171.80 1s4d s GLU 238 N -2.63 0.67 0.71 3.23 2.02 -1.26 -4.95 118.70 116.48 1s4d s GLU 238 Ca 0.69 -0.37 -0.16 0.00 0.02 0.00 0.00 54.97 55.14 1s4d s GLU 238 Cb -0.38 0.29 -0.02 0.00 0.10 0.00 0.00 34.13 34.12 1s4d s GLU 238 CO 0.55 -0.19 0.80 -2.30 0.02 0.00 0.00 175.26 174.13 1s4d n PRO 239 N 1.06 0.46 -2.93 0.39 -0.02 -1.26 -4.44 135.00 128.26 1s4d n PRO 239 Ca -0.21 0.20 -0.40 0.00 -2.02 0.00 0.00 63.50 61.08 1s4d n PRO 239 Cb 0.57 -2.06 -0.06 0.00 -0.02 0.00 0.00 33.50 31.93 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 -3.05 4.60 -0.06 0.52 0.04 -1.26 -4.98 135.00 130.82 1s4d s PRO 240 Ca 0.71 1.21 -0.07 0.00 0.04 0.00 0.00 61.00 62.88 1s4d s PRO 240 Cb -0.35 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 30.91 1s4d s PRO 240 CO 0.53 0.49 0.18 0.00 0.04 0.00 0.00 177.00 178.24 1s4d s ALA 241 N -0.87 -0.45 -0.13 8.56 0.00 -1.26 -1.78 121.76 125.83 1s4d s ALA 241 Ca 0.38 0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 1s4d s ALA 241 Cb -0.23 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1s4d s ALA 241 CO 0.27 -0.11 0.24 0.42 0.00 0.00 0.00 175.76 176.57 1s4d s ILE 242 N -0.18 5.33 -0.20 0.00 -1.09 0.51 -4.33 121.20 121.25 1s4d s ILE 242 Ca -0.03 0.44 -0.06 0.00 -2.23 0.00 0.00 60.65 58.77 1s4d s ILE 242 Cb -0.02 -3.55 -0.03 0.00 -1.58 0.00 0.00 42.46 37.28 1s4d s ILE 242 CO 0.01 0.50 0.04 -0.69 -1.23 0.00 0.00 174.94 173.57 1s4d s VAL 243 N -0.30 4.36 -0.05 2.92 1.01 -0.13 -1.27 120.40 126.93 1s4d s VAL 243 Ca 0.16 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.02 1s4d s VAL 243 Cb -0.13 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 1s4d s VAL 243 CO 0.05 0.43 -0.23 0.54 0.00 0.00 0.00 175.10 175.88 1s4d s VAL 244 N 0.82 2.23 -0.07 2.92 0.11 -0.20 0.91 120.40 127.12 1s4d s VAL 244 Ca 0.02 -1.01 0.04 0.00 -2.93 0.00 0.00 61.98 58.10 1s4d s VAL 244 Cb -0.14 -1.81 -0.01 0.00 -1.53 0.00 0.00 36.38 32.88 1s4d s VAL 244 CO 0.02 0.57 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.48 1s4d s VAL 245 N -0.28 2.52 0.00 2.04 1.01 0.63 -0.67 120.40 125.66 1s4d s VAL 245 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1s4d s VAL 245 Cb -0.13 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1s4d s VAL 245 CO 0.03 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1s4d n GLY 246 N 2.94 2.89 0.41 4.51 0.00 -0.54 -1.53 105.19 113.87 1s4d n GLY 246 Ca -0.18 -1.95 0.22 0.00 0.00 0.00 0.00 46.02 44.12 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 0.37 -0.24 1.61 4.39 -1.83 -1.70 114.58 117.18 1s4d h GLU 247 Ca 0.00 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.75 1s4d h GLU 247 Cb 0.00 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1s4d h GLU 247 CO 0.00 0.25 0.53 -0.39 -1.16 0.00 0.00 179.01 178.24 1s4d h VAL 248 N 0.38 0.13 -0.68 3.13 -1.51 -1.90 0.35 116.25 116.16 1s4d h VAL 248 Ca 0.56 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 66.09 1s4d h VAL 248 Cb 1.45 0.52 -0.04 0.00 -2.13 0.00 0.00 31.29 31.09 1s4d h VAL 248 CO -0.25 0.00 0.45 0.58 -1.23 0.00 0.00 177.57 177.12 1s4d h VAL 249 N 0.00 1.01 -0.14 7.19 2.07 -1.64 -2.08 116.25 122.66 1s4d h VAL 249 Ca 0.12 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.44 1s4d h VAL 249 Cb 1.18 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1s4d h VAL 249 CO -0.00 0.13 0.12 0.03 0.02 0.00 0.00 177.57 177.86 1s4d h ARG 250 N 0.69 0.00 0.00 1.57 3.08 -0.51 -1.71 114.38 117.50 1s4d h ARG 250 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1s4d h ARG 250 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1s4d h ARG 250 CO -0.09 0.00 0.00 -0.07 -1.07 0.00 0.00 179.97 178.74 1s4d h LEU 251 N 0.00 0.00 -0.88 3.04 3.38 -1.51 -3.22 115.31 116.11 1s4d h LEU 251 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1s4d h LEU 251 Cb 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1s4d h LEU 251 CO -0.00 0.00 0.55 -0.09 0.09 0.00 0.00 178.44 178.99 1s4d h ARG 252 N 0.00 1.18 -0.07 1.13 2.43 -1.35 0.27 114.38 117.97 1s4d h ARG 252 Ca 0.00 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1s4d h ARG 252 Cb 0.40 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1s4d h ARG 252 CO 0.00 0.81 0.23 0.00 -1.51 0.00 0.00 179.97 179.50 1s4d h ALA 253 N 1.30 1.40 0.00 2.80 0.00 -1.77 -2.31 119.26 120.68 1s4d h ALA 253 Ca 0.32 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1s4d h ALA 253 Cb -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1s4d h ALA 253 CO -0.06 -0.27 -1.60 0.00 0.00 0.00 0.00 179.25 177.32 1s4d n ALA 254 N -2.06 2.34 -0.58 0.00 0.00 -0.01 -2.11 120.51 118.09 1s4d n ALA 254 Ca -0.01 -0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.11 1s4d n ALA 254 Cb 0.31 -0.35 0.07 0.00 0.00 0.00 0.00 19.45 19.47 1s4d n ALA 254 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s4d n LEU 255 N -2.01 2.06 -4.58 0.00 4.77 0.75 -4.56 117.00 113.42 1s4d n LEU 255 Ca -0.05 -2.43 -0.41 0.00 -0.03 0.00 0.00 56.01 53.09 1s4d n LEU 255 Cb 0.41 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1s4d n LEU 255 CO 0.26 0.58 1.91 -0.62 -1.33 0.00 0.00 177.39 178.18 1s4d s ASP 256 N -1.85 6.59 0.30 -1.43 3.68 -0.90 -4.21 116.67 118.86 1s4d s ASP 256 Ca 0.15 -2.33 0.09 0.00 2.13 0.00 0.00 52.55 52.59 1s4d s ASP 256 Cb 0.13 -2.58 0.47 0.00 -1.45 0.00 0.00 42.92 39.49 1s4d s ASP 256 CO 0.01 -1.43 1.69 4.11 0.13 0.00 0.00 175.17 179.68 1s4d h TRP 257 N 7.90 0.11 -0.11 -5.34 5.08 -1.90 -1.58 115.95 120.10 1s4d h TRP 257 Ca 0.41 -0.03 -0.00 0.00 1.08 0.00 0.00 58.89 60.35 1s4d h TRP 257 Cb 0.88 -0.02 -0.01 0.00 -3.00 0.00 0.00 29.16 27.01 1s4d h TRP 257 CO 1.40 0.57 0.06 0.82 -1.28 0.00 0.00 178.44 180.00 1s4d h ILE 258 N 0.07 1.10 -0.66 0.12 2.04 -1.85 -2.81 117.51 115.53 1s4d h ILE 258 Ca 0.00 -0.29 0.13 0.00 1.00 0.00 0.00 64.86 65.70 1s4d h ILE 258 Cb 0.90 1.10 -0.09 0.00 -0.74 0.00 0.00 36.82 37.99 1s4d h ILE 258 CO 0.07 0.09 0.16 1.23 0.00 0.00 0.00 178.15 179.70 1s4d h GLY 259 N 0.07 0.88 0.55 5.37 0.00 -1.79 0.12 103.07 108.26 1s4d h GLY 259 Ca 0.04 -0.04 0.20 0.00 0.00 0.00 0.00 47.33 47.52 1s4d h GLY 259 CO -0.01 -0.13 0.53 0.00 0.00 0.00 0.00 176.54 176.93 1s4d h ALA 260 N 1.52 2.56 -0.30 3.60 0.00 -1.06 -1.97 119.26 123.62 1s4d h ALA 260 Ca 0.35 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 1s4d h ALA 260 Cb 0.55 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1s4d h ALA 260 CO -0.43 -0.88 -0.15 -0.07 0.00 0.00 0.00 179.25 177.72 1s4d h LEU 261 N 0.00 0.64 0.00 0.00 3.38 -0.54 -3.36 115.31 115.44 1s4d h LEU 261 Ca 0.32 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1s4d h LEU 261 Cb 1.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1s4d h LEU 261 CO -0.00 0.91 0.00 0.47 0.09 0.00 0.00 178.44 179.91 1s4d n ASP 262 N -4.40 0.00 0.00 -0.43 8.00 -0.81 -4.89 116.55 114.02 1s4d n ASP 262 Ca -0.03 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.52 1s4d n ASP 262 Cb 0.38 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.81 1s4d n ASP 262 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s4d n GLY 263 N 4.37 -0.64 3.73 0.44 0.00 -1.25 -4.96 105.19 106.88 1s4d n GLY 263 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1s4d n GLY 263 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s4d s ARG 264 N -2.00 4.17 -0.59 1.61 3.52 -0.81 -4.93 118.95 119.92 1s4d s ARG 264 Ca 0.17 2.49 -0.22 0.00 -0.13 0.00 0.00 55.73 58.04 1s4d s ARG 264 Cb 0.08 -3.09 0.07 0.00 -1.56 0.00 0.00 34.95 30.44 1s4d s ARG 264 CO 0.13 -0.64 0.83 0.15 -0.81 0.00 0.00 175.30 174.96 1s4d s LYS 265 N 0.68 3.15 0.19 5.12 1.02 -1.26 -4.42 119.74 124.22 1s4d s LYS 265 Ca 0.69 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 55.59 1s4d s LYS 265 Cb -0.46 -4.16 -0.08 0.00 -0.52 0.00 0.00 37.83 32.61 1s4d s LYS 265 CO 0.36 -1.55 1.06 -0.51 -0.92 0.00 0.00 175.35 173.79 1s4d s LEU 266 N 3.47 4.52 0.00 3.17 1.02 -1.26 -4.98 118.68 124.61 1s4d s LEU 266 Ca 0.21 2.05 0.01 0.00 0.02 0.00 0.00 54.13 56.42 1s4d s LEU 266 Cb -0.18 -3.61 0.04 0.00 0.02 0.00 0.00 46.19 42.47 1s4d s LEU 266 CO 0.12 -0.15 0.28 0.00 0.02 0.00 0.00 176.35 176.63 1s4d n ALA 267 N 2.19 0.22 -2.71 4.21 0.00 -0.90 -4.97 120.51 118.55 1s4d n ALA 267 Ca 0.02 -0.63 -0.29 0.00 0.00 0.00 0.00 53.44 52.54 1s4d n ALA 267 Cb 0.46 0.14 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 1s4d n ALA 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s4d s ALA 268 N -2.57 3.36 0.00 0.00 0.00 -1.26 -4.53 121.76 116.75 1s4d s ALA 268 Ca 0.20 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1s4d s ALA 268 Cb -0.01 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1s4d s ALA 268 CO 0.13 0.62 0.24 -0.40 0.00 0.00 0.00 175.76 176.35 1s4d n ASP 269 N 0.22 0.00 -0.72 0.00 5.75 -1.26 -4.96 116.55 115.57 1s4d n ASP 269 Ca -0.10 0.24 0.09 0.00 -0.01 0.00 0.00 54.79 55.01 1s4d n ASP 269 Cb 0.53 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.70 1s4d n ASP 269 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28