#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3icc s ASN -1 N 0.00 7.03 -0.27 0.00 3.84 -1.26 -5.15 114.94 119.12 3icc s ASN -1 Ca 0.00 2.22 -0.02 0.00 0.21 0.00 0.00 52.86 55.27 3icc s ASN -1 Cb 0.00 -2.60 0.09 0.00 -0.55 0.00 0.00 41.25 38.19 3icc s ASN -1 CO 0.00 -0.45 0.07 -0.94 -2.79 0.00 0.00 177.10 173.00 3icc s SER 0 N 0.48 3.66 0.00 -4.21 1.04 -1.26 -4.46 113.70 108.96 3icc s SER 0 Ca 0.56 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.64 3icc s SER 0 Cb -0.33 -0.77 0.00 0.00 0.10 0.00 0.00 66.02 65.02 3icc s SER 0 CO 0.34 -0.37 0.00 0.18 0.98 0.00 0.00 173.24 174.37 3icc n LEU 2 N 4.92 0.00 -4.65 2.42 4.77 0.42 -4.87 117.00 120.02 3icc n LEU 2 Ca -0.05 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.47 3icc n LEU 2 Cb 0.44 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3icc n LEU 2 CO 0.12 0.00 0.94 1.17 -1.33 0.00 0.00 177.39 178.29 3icc n LYS 3 N 0.00 1.80 0.00 3.23 4.81 -1.22 -0.87 118.16 125.91 3icc n LYS 3 Ca 0.00 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 3icc n LYS 3 Cb 0.00 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 32.79 3icc n LYS 3 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3icc n GLY 4 N 2.16 2.51 3.84 3.14 0.00 -1.26 -4.97 105.19 110.61 3icc n GLY 4 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3icc n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3icc s LYS 5 N -0.21 4.10 -0.10 1.61 -0.14 -0.05 -4.94 119.74 120.01 3icc s LYS 5 Ca 0.00 0.88 0.03 0.00 -1.36 0.00 0.00 55.97 55.53 3icc s LYS 5 Cb 0.00 -2.30 0.00 0.00 -1.68 0.00 0.00 37.83 33.85 3icc s LYS 5 CO 0.00 0.05 -0.21 0.08 -0.76 0.00 0.00 175.35 174.51 3icc s VAL 6 N -2.11 1.82 0.02 3.17 1.01 -1.26 -0.51 120.40 122.55 3icc s VAL 6 Ca 0.58 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.75 3icc s VAL 6 Cb -0.10 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 3icc s VAL 6 CO 0.16 0.51 -0.19 0.00 0.00 0.00 0.00 175.10 175.58 3icc s ALA 7 N 0.48 1.58 -0.17 5.51 0.00 0.32 -0.80 121.76 128.69 3icc s ALA 7 Ca -0.16 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 3icc s ALA 7 Cb -0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 3icc s ALA 7 CO 0.06 0.36 -0.10 -1.17 0.00 0.00 0.00 175.76 174.91 3icc s LEU 8 N -0.94 2.74 -0.21 0.00 2.96 -0.34 -0.42 118.68 122.48 3icc s LEU 8 Ca 0.06 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 3icc s LEU 8 Cb -0.08 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.97 3icc s LEU 8 CO 0.01 0.08 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.32 3icc s VAL 9 N 0.84 2.71 0.36 1.68 1.01 -0.55 -0.89 120.40 125.56 3icc s VAL 9 Ca -0.03 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 3icc s VAL 9 Cb -0.15 -2.23 -0.09 0.00 0.00 0.00 0.00 36.38 33.90 3icc s VAL 9 CO 0.01 0.43 0.80 0.42 0.00 0.00 0.00 175.10 176.75 3icc s THR 10 N 1.37 4.61 -1.34 3.92 -4.23 -0.70 -1.69 115.64 117.57 3icc s THR 10 Ca 0.04 1.08 -0.04 0.00 -1.18 0.00 0.00 61.69 61.59 3icc s THR 10 Cb -0.14 -3.61 -0.00 0.00 1.34 0.00 0.00 72.50 70.08 3icc s THR 10 CO -0.08 -0.24 0.53 0.61 -0.54 0.00 0.00 174.62 174.90 3icc n GLY 11 N -0.50 -0.37 1.27 3.99 0.00 -1.19 -2.58 105.19 105.81 3icc n GLY 11 Ca 0.04 0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.34 3icc n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3icc n ALA 12 N -4.35 3.21 -0.22 4.61 0.00 -0.18 -4.40 120.51 119.18 3icc n ALA 12 Ca -0.27 -2.00 0.08 0.00 0.00 0.00 0.00 53.44 51.25 3icc n ALA 12 Cb 0.67 -0.85 0.36 0.00 0.00 0.00 0.00 19.45 19.62 3icc n ALA 12 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3icc h SER 13 N 2.80 0.67 -3.20 0.00 0.02 -1.91 -3.10 113.55 108.83 3icc h SER 13 Ca 0.00 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 3icc h SER 13 Cb 1.55 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.94 3icc h SER 13 CO 0.29 0.41 0.09 -2.11 -1.14 0.00 0.00 176.83 174.36 3icc n ARG 14 N -4.50 0.86 0.00 3.45 1.85 -1.26 -4.37 116.66 112.69 3icc n ARG 14 Ca 0.13 -2.24 0.00 0.00 -1.00 0.00 0.00 57.85 54.74 3icc n ARG 14 Cb 0.31 2.48 0.00 0.00 -1.05 0.00 0.00 32.46 34.20 3icc n ARG 14 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3icc n GLY 15 N -0.50 2.96 0.23 2.89 0.00 -1.26 -2.43 105.19 107.08 3icc n GLY 15 Ca -0.04 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 3icc n GLY 15 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3icc h ILE 16 N 0.00 1.24 -0.61 -0.61 2.04 -1.92 -2.46 117.51 115.20 3icc h ILE 16 Ca 0.00 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.01 3icc h ILE 16 Cb 0.00 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 3icc h ILE 16 CO 0.00 0.31 0.35 1.23 0.00 0.00 0.00 178.15 180.05 3icc h GLY 17 N 0.63 0.88 1.14 5.37 0.00 -1.75 -0.07 103.07 109.27 3icc h GLY 17 Ca 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 3icc h GLY 17 CO 0.01 0.18 0.37 -0.09 0.00 0.00 0.00 176.54 177.01 3icc h ARG 18 N 0.67 1.11 -0.46 4.80 2.43 -1.28 -0.89 114.38 120.76 3icc h ARG 18 Ca 0.26 -0.16 -0.13 0.00 -0.81 0.00 0.00 59.98 59.14 3icc h ARG 18 Cb 0.10 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3icc h ARG 18 CO -0.14 0.86 -0.24 0.00 -1.51 0.00 0.00 179.97 178.94 3icc h ALA 19 N 1.30 0.70 -0.15 2.80 0.00 -0.79 -1.06 119.26 122.06 3icc h ALA 19 Ca 0.27 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3icc h ALA 19 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3icc h ALA 19 CO -0.03 0.67 0.06 0.82 0.00 0.00 0.00 179.25 180.77 3icc h ILE 20 N 0.83 1.15 -0.51 0.00 2.04 -0.90 -1.74 117.51 118.38 3icc h ILE 20 Ca 0.10 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.58 3icc h ILE 20 Cb 0.81 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 38.01 3icc h ILE 20 CO 0.07 0.14 0.18 0.00 0.00 0.00 0.00 178.15 178.54 3icc h ALA 21 N 0.90 0.62 -0.61 1.87 0.00 -1.01 0.09 119.26 121.13 3icc h ALA 21 Ca 0.05 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3icc h ALA 21 Cb 0.17 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3icc h ALA 21 CO -0.00 -0.22 0.37 0.87 0.00 0.00 0.00 179.25 180.26 3icc h LYS 22 N 0.35 0.82 -0.11 0.00 1.57 -1.05 -1.85 116.57 116.30 3icc h LYS 22 Ca 0.25 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3icc h LYS 22 Cb 0.28 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3icc h LYS 22 CO -0.26 0.59 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.08 3icc h ARG 23 N 0.82 0.23 -0.69 3.15 9.65 -0.99 -0.81 114.38 125.74 3icc h ARG 23 Ca 0.22 -0.09 0.04 0.00 -1.10 0.00 0.00 59.98 59.05 3icc h ARG 23 Cb -0.03 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.50 3icc h ARG 23 CO -0.04 0.54 0.42 -0.07 2.80 0.00 0.00 179.97 183.62 3icc h LEU 24 N -0.10 0.67 -1.01 3.80 3.38 -0.91 -1.90 115.31 119.23 3icc h LEU 24 Ca 0.03 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3icc h LEU 24 Cb 0.46 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3icc h LEU 24 CO 0.01 0.46 0.18 0.00 0.09 0.00 0.00 178.44 179.18 3icc h ALA 25 N 1.31 1.21 -0.14 1.53 0.00 -1.28 -2.14 119.26 119.76 3icc h ALA 25 Ca 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3icc h ALA 25 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3icc h ALA 25 CO -0.13 0.56 0.02 -0.97 0.00 0.00 0.00 179.25 178.73 3icc h ASN 26 N 0.87 0.17 -0.10 0.00 -1.24 -0.61 -2.31 115.58 112.36 3icc h ASN 26 Ca 0.20 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.19 3icc h ASN 26 Cb 0.25 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.26 3icc h ASN 26 CO -0.01 0.19 0.00 0.47 -1.29 0.00 0.00 177.43 176.79 3icc n ASP 27 N -4.44 1.34 0.00 1.15 8.00 -0.76 -4.71 116.55 117.13 3icc n ASP 27 Ca -0.01 -1.58 0.00 0.00 0.71 0.00 0.00 54.79 53.91 3icc n ASP 27 Cb 0.14 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 3icc n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3icc n GLY 28 N 1.10 0.77 3.77 0.44 0.00 -0.87 -0.44 105.19 109.96 3icc n GLY 28 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3icc n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3icc s ALA 29 N -2.00 3.26 -0.08 4.61 0.00 -0.90 -4.11 121.76 122.53 3icc s ALA 29 Ca 0.00 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 3icc s ALA 29 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3icc s ALA 29 CO 0.00 -0.31 1.25 -1.17 0.00 0.00 0.00 175.76 175.53 3icc s LEU 30 N -2.07 4.25 -0.23 0.00 2.96 0.34 -4.25 118.68 119.68 3icc s LEU 30 Ca 0.52 1.81 -0.01 0.00 -0.22 0.00 0.00 54.13 56.23 3icc s LEU 30 Cb -0.30 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 42.86 3icc s LEU 30 CO 0.38 -0.66 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.97 3icc s VAL 31 N 2.66 2.77 -0.33 1.68 1.01 -0.77 -0.52 120.40 126.91 3icc s VAL 31 Ca 0.57 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 61.32 3icc s VAL 31 Cb -0.25 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.80 3icc s VAL 31 CO 0.20 0.29 1.02 0.00 0.00 0.00 0.00 175.10 176.62 3icc s ALA 32 N 1.33 3.48 -0.54 5.51 0.00 0.44 -1.57 121.76 130.42 3icc s ALA 32 Ca 0.02 -0.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.65 3icc s ALA 32 Cb -0.16 -3.62 0.12 0.00 0.00 0.00 0.00 23.12 19.47 3icc s ALA 32 CO -0.06 -1.49 0.50 0.42 0.00 0.00 0.00 175.76 175.13 3icc s ILE 33 N 3.57 5.20 0.30 0.00 1.01 0.75 -1.49 121.20 130.54 3icc s ILE 33 Ca 0.43 -1.45 -0.20 0.00 0.00 0.00 0.00 60.65 59.43 3icc s ILE 33 Cb -0.12 -4.33 -0.09 0.00 0.01 0.00 0.00 42.46 37.93 3icc s ILE 33 CO 0.16 -0.85 0.81 -2.28 0.00 0.00 0.00 174.94 172.77 3icc s HIS 34 N 1.64 3.55 0.03 3.97 5.65 -0.68 -1.50 115.29 127.95 3icc s HIS 34 Ca 0.03 1.47 -0.01 0.00 0.25 0.00 0.00 55.06 56.80 3icc s HIS 34 Cb -0.29 -2.70 -0.02 0.00 -1.18 0.00 0.00 32.58 28.38 3icc s HIS 34 CO 0.03 0.19 -0.02 1.52 -0.65 0.00 0.00 174.74 175.82 3icc s TYR 35 N -1.74 0.31 -0.11 3.88 -0.85 -0.41 -1.01 117.35 117.43 3icc s TYR 35 Ca 0.50 -0.64 0.21 0.00 -0.52 0.00 0.00 57.07 56.62 3icc s TYR 35 Cb -0.15 -0.23 -0.24 0.00 0.38 0.00 0.00 41.96 41.72 3icc s TYR 35 CO 0.20 -0.25 0.54 0.41 -1.52 0.00 0.00 175.55 174.93 3icc n GLY 36 N 1.21 -1.10 0.00 5.49 0.00 -1.26 -1.09 105.19 108.44 3icc n GLY 36 Ca -0.21 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3icc n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3icc n ASN 37 N -2.50 0.00 -4.87 1.61 5.15 -1.26 -4.19 115.26 109.20 3icc n ASN 37 Ca -0.10 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.52 3icc n ASN 37 Cb 0.71 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.90 3icc n ASN 37 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3icc s ARG 38 N 0.00 3.41 0.17 1.20 0.52 -1.26 -4.97 118.95 118.02 3icc s ARG 38 Ca 0.00 -0.16 0.25 0.00 -0.52 0.00 0.00 55.73 55.30 3icc s ARG 38 Cb 0.00 -3.16 0.91 0.00 0.52 0.00 0.00 34.95 33.22 3icc s ARG 38 CO 0.00 0.77 1.75 0.36 0.02 0.00 0.00 175.30 178.20 3icc n LYS 39 N 1.93 0.17 -0.14 3.54 2.85 -1.26 -4.32 118.16 120.94 3icc n LYS 39 Ca -0.19 0.24 -0.10 0.00 -1.05 0.00 0.00 58.31 57.20 3icc n LYS 39 Cb 0.55 -1.74 -0.01 0.00 -0.65 0.00 0.00 35.03 33.17 3icc n LYS 39 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3icc h GLU 40 N 0.00 0.71 -0.40 -1.58 3.07 -1.99 0.52 114.58 114.91 3icc h GLU 40 Ca 0.00 -0.23 0.06 0.00 -0.50 0.00 0.00 59.36 58.69 3icc h GLU 40 Cb 0.54 -0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.34 3icc h GLU 40 CO 0.00 0.81 0.10 0.93 -1.40 0.00 0.00 179.01 179.44 3icc h GLU 41 N 0.54 0.23 -0.42 2.33 4.39 -1.88 -1.39 114.58 118.37 3icc h GLU 41 Ca 0.11 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 3icc h GLU 41 Cb 0.49 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 3icc h GLU 41 CO 0.02 0.15 0.06 0.00 -1.16 0.00 0.00 179.01 178.08 3icc h ALA 42 N 1.29 0.56 -0.47 3.43 0.00 -1.58 -2.10 119.26 120.39 3icc h ALA 42 Ca 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3icc h ALA 42 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3icc h ALA 42 CO -0.23 0.29 0.19 0.93 0.00 0.00 0.00 179.25 180.42 3icc h GLU 43 N 0.55 0.66 -0.39 0.00 5.08 -0.78 -0.14 114.58 119.57 3icc h GLU 43 Ca 0.13 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 3icc h GLU 43 Cb 0.39 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3icc h GLU 43 CO 0.01 0.55 -0.29 1.49 -1.00 0.00 0.00 179.01 179.77 3icc h GLU 44 N 0.66 0.89 -0.36 2.33 4.57 -0.94 -0.46 114.58 121.27 3icc h GLU 44 Ca 0.16 -0.43 0.04 0.00 -1.18 0.00 0.00 59.36 57.95 3icc h GLU 44 Cb 0.13 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 3icc h GLU 44 CO -0.02 1.08 0.14 1.15 -1.18 0.00 0.00 179.01 180.19 3icc h THR 45 N 0.71 0.92 -0.39 0.32 2.02 -1.09 -0.46 112.91 114.95 3icc h THR 45 Ca 0.08 -0.11 0.07 0.00 0.77 0.00 0.00 66.41 67.22 3icc h THR 45 Cb 0.87 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 67.80 3icc h THR 45 CO 0.08 0.06 -0.02 0.58 0.37 0.00 0.00 175.52 176.59 3icc h VAL 46 N 0.31 0.69 -0.69 3.16 2.07 -0.68 -0.35 116.25 120.75 3icc h VAL 46 Ca 0.16 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.69 3icc h VAL 46 Cb 0.12 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3icc h VAL 46 CO -0.15 0.02 0.42 0.22 0.02 0.00 0.00 177.57 178.10 3icc h TYR 47 N 0.09 0.78 -0.44 1.57 3.20 -0.61 -0.74 116.97 120.82 3icc h TYR 47 Ca 0.19 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 3icc h TYR 47 Cb 0.28 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 3icc h TYR 47 CO -0.28 0.43 0.13 0.93 -1.64 0.00 0.00 178.16 177.73 3icc h GLU 48 N 0.81 0.69 -0.17 1.82 5.08 -0.37 0.59 114.58 123.03 3icc h GLU 48 Ca 0.29 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3icc h GLU 48 Cb 0.08 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3icc h GLU 48 CO -0.13 0.68 0.11 0.82 -1.00 0.00 0.00 179.01 179.49 3icc h ILE 49 N 0.58 1.05 -0.71 3.13 2.04 -0.82 -2.18 117.51 120.60 3icc h ILE 49 Ca 0.14 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 3icc h ILE 49 Cb 0.28 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3icc h ILE 49 CO -0.00 0.04 0.31 1.56 0.00 0.00 0.00 178.15 180.06 3icc h GLN 50 N 0.23 1.03 -0.08 2.37 4.20 -0.91 -0.17 115.11 121.77 3icc h GLN 50 Ca 0.06 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 3icc h GLN 50 Cb -0.02 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3icc h GLN 50 CO -0.01 0.82 -0.10 0.66 -0.67 0.00 0.00 178.83 179.53 3icc h SER 51 N 1.02 0.11 -0.24 1.46 4.64 -0.54 -1.34 113.55 118.66 3icc h SER 51 Ca 0.24 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3icc h SER 51 Cb 0.15 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3icc h SER 51 CO -0.03 0.23 0.00 0.59 -0.87 0.00 0.00 176.83 176.75 3icc n ASN 52 N -4.36 1.32 0.00 4.97 3.02 -0.74 -4.89 115.26 114.59 3icc n ASN 52 Ca -0.02 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 3icc n ASN 52 Cb 0.21 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 3icc n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3icc n GLY 53 N 0.90 0.74 4.02 7.41 0.00 -0.51 -5.05 105.19 112.70 3icc n GLY 53 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 3icc n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3icc s GLY 54 N -1.59 1.80 -0.10 -0.02 0.00 -0.15 -4.97 107.32 102.27 3icc s GLY 54 Ca 0.00 -1.89 0.04 0.00 0.00 0.00 0.00 44.72 42.87 3icc s GLY 54 CO 0.00 -1.49 -0.23 -0.56 0.00 0.00 0.00 173.10 170.83 3icc s SER 55 N -4.58 2.99 0.14 1.64 0.01 -1.26 -3.86 113.70 108.77 3icc s SER 55 Ca 0.61 -0.55 -0.24 0.00 1.31 0.00 0.00 55.95 57.08 3icc s SER 55 Cb -0.07 -1.37 0.07 0.00 0.21 0.00 0.00 66.02 64.86 3icc s SER 55 CO 0.38 0.14 0.72 0.00 0.41 0.00 0.00 173.24 174.89 3icc s ALA 56 N 0.45 -1.60 0.17 1.44 0.00 -1.26 -1.84 121.76 119.12 3icc s ALA 56 Ca -0.17 0.46 -0.14 0.00 0.00 0.00 0.00 51.96 52.11 3icc s ALA 56 Cb -0.17 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.71 3icc s ALA 56 CO 0.07 -0.82 0.42 -0.59 0.00 0.00 0.00 175.76 174.83 3icc s PHE 57 N -3.58 0.02 0.13 0.00 -0.12 -0.61 -4.94 117.98 108.88 3icc s PHE 57 Ca 0.05 -0.37 0.07 0.00 -0.05 0.00 0.00 56.93 56.62 3icc s PHE 57 Cb -0.02 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 3icc s PHE 57 CO -0.07 -0.80 -0.07 -1.54 -0.05 0.00 0.00 175.22 172.68 3icc s SER 58 N -2.89 4.52 -0.03 1.98 1.04 -1.26 -0.18 113.70 116.88 3icc s SER 58 Ca 0.10 -0.39 -0.01 0.00 0.48 0.00 0.00 55.95 56.13 3icc s SER 58 Cb 0.01 -0.89 0.03 0.00 0.10 0.00 0.00 66.02 65.26 3icc s SER 58 CO -0.04 0.15 0.07 -0.63 0.98 0.00 0.00 173.24 173.77 3icc s ILE 59 N -1.39 -0.04 -0.14 -1.02 1.01 -0.56 -4.88 121.20 114.17 3icc s ILE 59 Ca 0.23 0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.97 3icc s ILE 59 Cb -0.10 -0.13 -0.04 0.00 0.01 0.00 0.00 42.46 42.20 3icc s ILE 59 CO 0.15 0.06 0.10 -0.83 0.00 0.00 0.00 174.94 174.43 3icc s GLY 60 N 0.86 2.05 -0.28 6.18 0.00 -1.26 -1.29 107.32 113.58 3icc s GLY 60 Ca -0.07 -0.69 -0.20 0.00 0.00 0.00 0.00 44.72 43.76 3icc s GLY 60 CO -0.03 -0.24 0.77 0.00 0.00 0.00 0.00 173.10 173.60 3icc s ALA 61 N -0.51 -1.90 -0.45 3.20 0.00 -0.25 -4.76 121.76 117.09 3icc s ALA 61 Ca 0.11 2.22 -0.24 0.00 0.00 0.00 0.00 51.96 54.06 3icc s ALA 61 Cb -0.12 -1.38 0.02 0.00 0.00 0.00 0.00 23.12 21.65 3icc s ALA 61 CO 0.02 -0.35 0.82 1.21 0.00 0.00 0.00 175.76 177.46 3icc s ASN 62 N 1.05 6.44 -0.09 0.00 2.47 -1.26 -4.09 114.94 119.47 3icc s ASN 62 Ca -0.05 -0.03 0.08 0.00 0.42 0.00 0.00 52.86 53.28 3icc s ASN 62 Cb -0.05 -2.40 0.38 0.00 -1.45 0.00 0.00 41.25 37.73 3icc s ASN 62 CO -0.11 -0.93 1.14 0.18 -3.72 0.00 0.00 177.10 173.65 3icc n LEU 63 N 6.80 3.02 0.05 3.21 4.77 -1.26 -3.70 117.00 129.88 3icc n LEU 63 Ca 0.03 -1.52 0.12 0.00 -0.03 0.00 0.00 56.01 54.61 3icc n LEU 63 Cb 0.48 -0.52 0.47 0.00 -2.33 0.00 0.00 43.42 41.53 3icc n LEU 63 CO 0.60 0.44 0.87 -0.62 -1.33 0.00 0.00 177.39 177.35 3icc n GLU 64 N 0.36 0.10 -4.14 3.23 -0.58 -1.26 -4.59 120.64 113.75 3icc n GLU 64 Ca 0.13 0.18 -0.09 0.00 -0.42 0.00 0.00 57.16 56.96 3icc n GLU 64 Cb 0.63 -1.64 -0.10 0.00 -0.57 0.00 0.00 31.44 29.76 3icc n GLU 64 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3icc s SER 65 N -3.59 0.89 0.56 1.62 1.04 -1.25 -4.81 113.70 108.15 3icc s SER 65 Ca 0.10 -1.01 0.36 0.00 0.48 0.00 0.00 55.95 55.88 3icc s SER 65 Cb 0.14 0.14 1.68 0.00 0.10 0.00 0.00 66.02 68.07 3icc s SER 65 CO 0.46 -0.52 2.08 -0.07 0.98 0.00 0.00 173.24 176.17 3icc h LEU 66 N 3.03 0.00 -1.28 2.42 3.38 -1.89 -2.05 115.31 118.93 3icc h LEU 66 Ca -0.35 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3icc h LEU 66 Cb 1.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 3icc h LEU 66 CO 0.65 0.00 0.30 0.45 0.09 0.00 0.00 178.44 179.93 3icc h HIS 67 N 0.00 0.78 -0.59 1.13 3.86 -1.96 -1.55 115.15 116.81 3icc h HIS 67 Ca 0.00 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 3icc h HIS 67 Cb 0.32 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 3icc h HIS 67 CO 0.00 0.56 0.24 0.78 0.86 0.00 0.00 177.93 180.36 3icc h GLY 68 N 0.88 0.93 0.94 2.45 0.00 -1.44 0.59 103.07 107.41 3icc h GLY 68 Ca 0.20 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3icc h GLY 68 CO -0.03 0.45 0.15 -2.08 0.00 0.00 0.00 176.54 175.02 3icc h VAL 69 N 0.85 1.15 -0.26 4.60 2.07 -1.42 0.11 116.25 123.35 3icc h VAL 69 Ca 0.20 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.32 3icc h VAL 69 Cb 0.17 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3icc h VAL 69 CO -0.02 0.16 0.07 -0.33 0.02 0.00 0.00 177.57 177.47 3icc h GLU 70 N 0.36 0.17 -0.62 1.57 5.08 -0.81 -2.08 114.58 118.24 3icc h GLU 70 Ca 0.10 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3icc h GLU 70 Cb 0.12 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3icc h GLU 70 CO -0.01 0.11 0.18 0.00 -1.00 0.00 0.00 179.01 178.29 3icc h ALA 71 N 1.18 1.14 -0.08 3.43 0.00 -0.71 -1.66 119.26 122.56 3icc h ALA 71 Ca 0.12 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3icc h ALA 71 Cb 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3icc h ALA 71 CO -0.14 0.59 -0.15 1.25 0.00 0.00 0.00 179.25 180.80 3icc h LEU 72 N 0.92 -0.45 -0.80 0.00 5.85 -0.14 -2.10 115.31 118.58 3icc h LEU 72 Ca 0.20 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.87 3icc h LEU 72 Cb 0.29 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3icc h LEU 72 CO -0.01 -0.20 -0.55 1.88 -0.34 0.00 0.00 178.44 179.23 3icc h TYR 73 N -0.21 0.18 -0.18 1.25 0.05 -1.19 -0.08 116.97 116.79 3icc h TYR 73 Ca 0.08 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 3icc h TYR 73 Cb 0.32 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 3icc h TYR 73 CO -0.24 0.66 0.10 1.03 -1.05 0.00 0.00 178.16 178.66 3icc h SER 74 N 0.11 0.22 -0.51 3.88 0.87 -1.12 -0.01 113.55 116.99 3icc h SER 74 Ca -0.00 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 3icc h SER 74 Cb 1.00 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 3icc h SER 74 CO 0.08 0.23 0.20 0.28 -0.53 0.00 0.00 176.83 177.09 3icc h SER 75 N 0.20 0.71 -0.48 6.23 0.02 -1.24 -2.66 113.55 116.32 3icc h SER 75 Ca 0.06 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 3icc h SER 75 Cb 0.05 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3icc h SER 75 CO -0.01 0.69 0.01 0.25 -1.14 0.00 0.00 176.83 176.62 3icc h LEU 76 N 0.69 0.82 -0.41 5.07 5.85 -0.88 -1.05 115.31 125.40 3icc h LEU 76 Ca 0.17 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3icc h LEU 76 Cb 0.20 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3icc h LEU 76 CO -0.01 0.92 0.22 0.44 -0.34 0.00 0.00 178.44 179.67 3icc h ASP 77 N 0.69 0.34 0.02 1.25 3.32 -0.96 0.96 116.42 122.04 3icc h ASP 77 Ca 0.14 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3icc h ASP 77 Cb 0.50 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3icc h ASP 77 CO 0.02 0.24 -0.01 0.78 -1.72 0.00 0.00 179.24 178.56 3icc h ASN 78 N 0.44 -0.02 -0.05 6.45 2.35 -1.24 -1.24 115.58 122.28 3icc h ASN 78 Ca 0.17 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3icc h ASN 78 Cb 0.05 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 3icc h ASN 78 CO -0.10 0.00 0.03 -0.33 -1.65 0.00 0.00 177.43 175.38 3icc h GLU 79 N -0.04 0.07 -0.42 0.81 4.39 -0.96 -2.72 114.58 115.72 3icc h GLU 79 Ca -0.00 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 3icc h GLU 79 Cb 0.03 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3icc h GLU 79 CO 0.00 0.14 -0.14 -0.07 -1.16 0.00 0.00 179.01 177.78 3icc h LEU 80 N -0.01 0.85 -0.53 1.33 3.38 -0.83 -0.46 115.31 119.04 3icc h LEU 80 Ca 0.02 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.66 3icc h LEU 80 Cb 0.09 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3icc h LEU 80 CO -0.00 1.04 0.26 -0.61 0.09 0.00 0.00 178.44 179.21 3icc h GLN 81 N 0.66 0.48 -0.33 1.13 5.75 -0.93 0.25 115.11 122.11 3icc h GLN 81 Ca 0.10 -0.03 -0.17 0.00 -0.15 0.00 0.00 58.65 58.41 3icc h GLN 81 Cb 0.69 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.12 3icc h GLN 81 CO 0.05 0.32 -0.45 -0.97 -2.65 0.00 0.00 178.83 175.13 3icc h ASN 82 N 0.50 0.94 0.96 -0.69 -1.24 -1.34 -0.03 115.58 114.66 3icc h ASN 82 Ca 0.24 -0.46 -0.16 0.00 0.71 0.00 0.00 56.30 56.64 3icc h ASN 82 Cb 0.17 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 3icc h ASN 82 CO -0.18 1.24 -0.74 0.03 -1.29 0.00 0.00 177.43 176.49 3icc h ARG 83 N 0.69 0.00 0.00 6.67 3.08 -0.67 -3.40 114.38 120.75 3icc h ARG 83 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3icc h ARG 83 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3icc h ARG 83 CO 0.10 0.74 0.00 0.25 -1.07 0.00 0.00 179.97 179.99 3icc n THR 84 N -3.47 0.00 -0.94 2.04 -2.24 0.83 -5.02 114.28 105.47 3icc n THR 84 Ca -0.00 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3icc n THR 84 Cb 0.77 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 70.13 3icc n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3icc n GLY 85 N 0.23 0.55 3.37 3.38 0.00 -0.03 -4.99 105.19 107.70 3icc n GLY 85 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3icc n GLY 85 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3icc s SER 86 N -2.04 -0.39 0.00 1.61 0.15 -1.25 -4.94 113.70 106.83 3icc s SER 86 Ca 0.00 0.23 0.22 0.00 0.70 0.00 0.00 55.95 57.10 3icc s SER 86 Cb 0.00 0.44 0.61 0.00 -1.71 0.00 0.00 66.02 65.37 3icc s SER 86 CO 0.00 -0.62 1.48 0.35 1.20 0.00 0.00 173.24 175.66 3icc n THR 87 N 0.74 0.29 -3.03 6.45 -2.24 -1.26 -2.54 114.28 112.69 3icc n THR 87 Ca -0.19 -0.49 -0.32 0.00 -2.27 0.00 0.00 64.05 60.78 3icc n THR 87 Cb 0.58 0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 69.40 3icc n THR 87 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3icc s LYS 88 N -1.71 4.00 0.28 -0.78 -0.14 -1.26 -4.86 119.74 115.27 3icc s LYS 88 Ca 0.34 0.71 0.01 0.00 -1.36 0.00 0.00 55.97 55.68 3icc s LYS 88 Cb 0.19 -2.38 -0.00 0.00 -1.68 0.00 0.00 37.83 33.96 3icc s LYS 88 CO 0.28 0.09 0.34 1.97 -0.76 0.00 0.00 175.35 177.27 3icc n PHE 89 N -0.59 -1.05 0.00 3.18 1.16 -0.50 -4.96 117.46 114.71 3icc n PHE 89 Ca 0.04 -2.06 0.00 0.00 -1.87 0.00 0.00 57.45 53.56 3icc n PHE 89 Cb 0.53 0.38 0.00 0.00 -1.61 0.00 0.00 39.48 38.78 3icc n PHE 89 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 3icc n ASP 90 N -1.79 4.68 -3.70 5.98 8.00 0.02 -1.28 116.55 128.46 3icc n ASP 90 Ca 0.03 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.36 3icc n ASP 90 Cb 0.49 0.56 -0.16 0.00 -0.02 0.00 0.00 41.12 41.99 3icc n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3icc s ILE 91 N -1.92 -0.14 -0.17 0.53 1.01 -0.73 -1.14 121.20 118.63 3icc s ILE 91 Ca 0.00 0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.99 3icc s ILE 91 Cb 0.00 -0.21 0.02 0.00 0.01 0.00 0.00 42.46 42.28 3icc s ILE 91 CO 0.00 0.13 -0.20 -0.22 0.00 0.00 0.00 174.94 174.65 3icc s LEU 92 N 1.85 2.09 -0.31 2.97 2.96 -0.32 -1.20 118.68 126.72 3icc s LEU 92 Ca -0.01 -0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 53.26 3icc s LEU 92 Cb -0.12 -1.44 0.06 0.00 0.50 0.00 0.00 46.19 45.18 3icc s LEU 92 CO -0.05 0.01 0.02 -0.63 -1.32 0.00 0.00 176.35 174.39 3icc s ILE 93 N 1.19 3.00 -0.99 6.68 -1.09 -0.06 -0.83 121.20 129.09 3icc s ILE 93 Ca 0.02 -1.46 -0.19 0.00 -2.23 0.00 0.00 60.65 56.79 3icc s ILE 93 Cb -0.14 -2.77 0.11 0.00 -1.58 0.00 0.00 42.46 38.09 3icc s ILE 93 CO -0.10 -0.17 1.25 0.20 -1.23 0.00 0.00 174.94 174.89 3icc s ASN 94 N 1.30 6.65 -0.16 3.58 -0.87 0.07 -1.73 114.94 123.77 3icc s ASN 94 Ca -0.04 -2.01 0.13 0.00 -1.57 0.00 0.00 52.86 49.37 3icc s ASN 94 Cb -0.20 -2.44 -0.19 0.00 -0.02 0.00 0.00 41.25 38.39 3icc s ASN 94 CO -0.01 -1.14 0.03 -3.20 -2.57 0.00 0.00 177.10 170.20 3icc n ASN 95 N 7.06 1.18 -4.62 -1.22 5.15 -1.25 -1.00 115.26 120.57 3icc n ASN 95 Ca 0.28 -0.01 -0.49 0.00 -0.60 0.00 0.00 54.58 53.76 3icc n ASN 95 Cb 0.49 0.76 -0.05 0.00 -0.53 0.00 0.00 39.78 40.45 3icc n ASN 95 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3icc n ALA 96 N -2.65 -0.03 -3.71 5.20 0.00 -1.07 -4.87 120.51 113.38 3icc n ALA 96 Ca -0.27 0.47 0.03 0.00 0.00 0.00 0.00 53.44 53.67 3icc n ALA 96 Cb 1.01 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3icc n ALA 96 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3icc s GLY 97 N 0.45 -0.37 0.33 0.00 0.00 -1.26 -4.83 107.32 101.64 3icc s GLY 97 Ca 0.78 0.60 0.05 0.00 0.00 0.00 0.00 44.72 46.15 3icc s GLY 97 CO 0.46 1.93 0.01 -0.26 0.00 0.00 0.00 173.10 175.24 3icc s ILE 98 N -2.16 1.53 -0.33 0.90 -4.36 -1.26 -5.06 121.20 110.45 3icc s ILE 98 Ca 0.19 -2.05 0.15 0.00 -0.26 0.00 0.00 60.65 58.69 3icc s ILE 98 Cb 0.04 -2.72 0.43 0.00 1.25 0.00 0.00 42.46 41.47 3icc s ILE 98 CO -0.04 -0.10 1.40 0.61 0.24 0.00 0.00 174.94 177.05 3icc n GLY 99 N -0.71 1.89 3.75 6.27 0.00 -1.26 -4.95 105.19 110.18 3icc n GLY 99 Ca -0.04 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 3icc n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3icc s PRO 100 N -0.90 2.55 0.14 1.61 0.04 -1.26 -5.01 135.00 132.17 3icc s PRO 100 Ca 0.15 1.57 -0.05 0.00 0.04 0.00 0.00 61.00 62.71 3icc s PRO 100 Cb 0.42 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 33.00 3icc s PRO 100 CO -0.10 -1.48 0.37 0.20 0.04 0.00 0.00 177.00 176.04 3icc s GLY 101 N -2.28 2.24 -0.29 0.56 0.00 -1.26 -4.75 107.32 101.54 3icc s GLY 101 Ca 0.71 -0.56 -0.21 0.00 0.00 0.00 0.00 44.72 44.66 3icc s GLY 101 CO 0.42 -0.47 0.99 0.00 0.00 0.00 0.00 173.10 174.04 3icc s ALA 102 N -1.64 -2.10 0.82 3.20 0.00 0.06 -4.99 121.76 117.11 3icc s ALA 102 Ca 0.40 2.05 -0.11 0.00 0.00 0.00 0.00 51.96 54.31 3icc s ALA 102 Cb -0.12 -1.56 0.08 0.00 0.00 0.00 0.00 23.12 21.52 3icc s ALA 102 CO 0.24 -0.29 1.10 -0.06 0.00 0.00 0.00 175.76 176.75 3icc s PHE 103 N 0.79 2.36 0.25 0.00 0.08 -1.25 -3.36 117.98 116.84 3icc s PHE 103 Ca -0.03 1.56 -0.04 0.00 0.12 0.00 0.00 56.93 58.54 3icc s PHE 103 Cb -0.04 -3.11 0.49 0.00 -0.57 0.00 0.00 43.02 39.78 3icc s PHE 103 CO -0.11 -2.08 1.68 0.97 -0.10 0.00 0.00 175.22 175.58 3icc h ILE 104 N -1.33 0.48 0.00 0.64 2.10 -1.95 -0.22 117.51 117.23 3icc h ILE 104 Ca -0.44 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.41 3icc h ILE 104 Cb 1.24 0.21 0.00 0.00 -1.09 0.00 0.00 36.82 37.18 3icc h ILE 104 CO 0.50 0.05 0.00 1.05 -1.08 0.00 0.00 178.15 178.66 3icc h GLU 105 N 0.26 0.00 -0.02 2.19 9.09 -1.97 -2.33 114.58 121.80 3icc h GLU 105 Ca 0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.84 3icc h GLU 105 Cb 0.75 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.85 3icc h GLU 105 CO -0.53 0.00 -0.29 0.39 0.05 0.00 0.00 179.01 178.63 3icc n GLU 106 N -2.51 1.61 -2.99 1.06 1.02 -0.13 -4.96 120.64 113.74 3icc n GLU 106 Ca 0.01 -1.31 -0.42 0.00 -0.02 0.00 0.00 57.16 55.42 3icc n GLU 106 Cb 0.21 -1.47 -0.05 0.00 -0.02 0.00 0.00 31.44 30.11 3icc n GLU 106 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3icc s THR 107 N -2.30 4.81 0.61 2.62 2.01 -0.88 -4.89 115.64 117.63 3icc s THR 107 Ca 0.22 1.01 -0.05 0.00 0.31 0.00 0.00 61.69 63.19 3icc s THR 107 Cb 0.19 -4.13 0.03 0.00 0.01 0.00 0.00 72.50 68.60 3icc s THR 107 CO 0.47 -0.27 0.91 0.42 -0.69 0.00 0.00 174.62 175.46 3icc s THR 108 N 2.90 3.15 0.11 -0.82 -4.23 -1.26 -4.93 115.64 110.57 3icc s THR 108 Ca 0.30 -0.17 -0.21 0.00 -1.18 0.00 0.00 61.69 60.43 3icc s THR 108 Cb -0.14 -3.27 -0.09 0.00 1.34 0.00 0.00 72.50 70.34 3icc s THR 108 CO 0.13 -0.27 1.76 -0.08 -0.54 0.00 0.00 174.62 175.63 3icc h GLU 109 N -0.25 0.16 -0.51 3.99 4.81 -1.99 -1.52 114.58 119.27 3icc h GLU 109 Ca -0.45 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 58.87 3icc h GLU 109 Cb 1.28 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.54 3icc h GLU 109 CO 0.60 0.11 0.04 1.96 -0.73 0.00 0.00 179.01 180.98 3icc h GLN 110 N 0.17 0.15 -0.47 1.92 7.50 -1.99 -0.04 115.11 122.35 3icc h GLN 110 Ca 0.05 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.20 3icc h GLN 110 Cb -0.00 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.47 3icc h GLN 110 CO -0.03 0.10 0.30 0.35 -1.50 0.00 0.00 178.83 178.05 3icc h PHE 111 N 0.16 0.60 -0.05 2.96 3.57 -1.89 -1.32 116.94 120.97 3icc h PHE 111 Ca 0.26 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 3icc h PHE 111 Cb 0.38 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 3icc h PHE 111 CO -0.29 0.40 0.00 0.35 -2.23 0.00 0.00 178.31 176.54 3icc h PHE 112 N 0.63 0.09 -0.90 0.41 3.57 -0.84 -3.08 116.94 116.83 3icc h PHE 112 Ca 0.17 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3icc h PHE 112 Cb -0.05 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 3icc h PHE 112 CO -0.04 0.36 0.57 -0.44 -2.23 0.00 0.00 178.31 176.53 3icc h ASP 113 N -0.20 1.05 0.00 0.41 3.32 -0.94 -1.83 116.42 118.23 3icc h ASP 113 Ca 0.01 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3icc h ASP 113 Cb 0.32 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3icc h ASP 113 CO 0.00 0.79 0.00 -1.14 -1.72 0.00 0.00 179.24 177.17 3icc n ARG 114 N -4.43 0.20 0.00 3.56 0.63 -0.50 -1.32 116.66 114.80 3icc n ARG 114 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 3icc n ARG 114 Cb 0.03 -1.33 0.00 0.00 0.45 0.00 0.00 32.46 31.62 3icc n ARG 114 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3icc n VAL 116 N 0.78 0.00 -0.25 5.15 0.31 -0.69 -1.57 118.33 122.06 3icc n VAL 116 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 3icc n VAL 116 Cb 0.09 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.12 3icc n VAL 116 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3icc h SER 117 N 0.00 0.64 0.19 4.52 0.02 -1.47 0.10 113.55 117.54 3icc h SER 117 Ca 0.00 0.02 -0.30 0.00 -0.84 0.00 0.00 61.79 60.67 3icc h SER 117 Cb 0.00 -0.11 0.02 0.00 0.14 0.00 0.00 62.40 62.45 3icc h SER 117 CO 0.00 0.41 -1.41 0.58 -1.14 0.00 0.00 176.83 175.27 3icc h VAL 118 N 0.77 1.18 0.00 2.27 2.07 -1.54 -2.15 116.25 118.85 3icc h VAL 118 Ca 0.31 -2.55 -0.22 0.00 0.82 0.00 0.00 66.70 65.06 3icc h VAL 118 Cb 0.16 2.94 -0.04 0.00 -1.52 0.00 0.00 31.29 32.83 3icc h VAL 118 CO -0.17 0.78 -1.74 0.59 0.02 0.00 0.00 177.57 177.05 3icc n ASN 119 N -3.81 0.58 -0.00 0.57 4.13 -1.20 -4.35 115.26 111.18 3icc n ASN 119 Ca -0.20 0.26 -0.01 0.00 1.68 0.00 0.00 54.58 56.31 3icc n ASN 119 Cb 1.00 0.50 -0.00 0.00 -1.54 0.00 0.00 39.78 39.74 3icc n ASN 119 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3icc n ALA 120 N -2.49 2.78 -0.03 5.41 0.00 -0.43 -4.65 120.51 121.10 3icc n ALA 120 Ca -0.15 -0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.13 3icc n ALA 120 Cb 0.92 0.49 -0.07 0.00 0.00 0.00 0.00 19.45 20.78 3icc n ALA 120 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3icc h LYS 121 N -0.02 0.18 0.12 0.00 3.64 -0.97 -2.67 116.57 116.85 3icc h LYS 121 Ca -0.02 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3icc h LYS 121 Cb 1.02 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3icc h LYS 121 CO -0.01 0.48 -0.06 0.00 -2.27 0.00 0.00 179.45 177.59 3icc h ALA 122 N 0.70 -0.16 -0.64 5.00 0.00 -1.58 -1.47 119.26 121.11 3icc h ALA 122 Ca 0.03 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3icc h ALA 122 Cb 0.40 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3icc h ALA 122 CO 0.01 -0.58 0.42 -1.35 0.00 0.00 0.00 179.25 177.76 3icc h PRO 123 N -0.18 0.75 -0.13 0.00 0.11 -1.78 0.25 132.00 131.01 3icc h PRO 123 Ca -0.02 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 3icc h PRO 123 Cb 0.14 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3icc h PRO 123 CO 0.03 0.50 0.08 0.35 -0.21 0.00 0.00 178.00 178.74 3icc h PHE 124 N 0.77 0.18 0.00 0.65 3.57 -1.09 -1.26 116.94 119.76 3icc h PHE 124 Ca 0.25 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 3icc h PHE 124 Cb 0.05 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3icc h PHE 124 CO -0.00 0.17 -0.55 0.74 -2.23 0.00 0.00 178.31 176.44 3icc h PHE 125 N 0.13 0.00 -0.68 0.41 0.04 -0.59 -1.51 116.94 114.74 3icc h PHE 125 Ca 0.05 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3icc h PHE 125 Cb 0.05 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 3icc h PHE 125 CO -0.05 0.55 0.37 0.82 -0.60 0.00 0.00 178.31 179.40 3icc h ILE 126 N 0.00 1.21 -0.15 -0.55 2.04 -0.40 -0.87 117.51 118.79 3icc h ILE 126 Ca -0.01 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 3icc h ILE 126 Cb 1.32 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3icc h ILE 126 CO 0.07 0.23 -0.05 0.40 0.00 0.00 0.00 178.15 178.81 3icc h ILE 127 N 0.93 1.30 -0.59 -0.67 2.04 -1.03 -0.67 117.51 118.82 3icc h ILE 127 Ca 0.24 -1.03 0.12 0.00 1.00 0.00 0.00 64.86 65.18 3icc h ILE 127 Cb 0.04 1.67 -0.11 0.00 -0.74 0.00 0.00 36.82 37.68 3icc h ILE 127 CO -0.04 0.30 -0.17 -0.61 0.00 0.00 0.00 178.15 177.63 3icc h GLN 128 N -0.01 -0.03 0.00 2.37 4.15 -1.13 -0.53 115.11 119.93 3icc h GLN 128 Ca 0.04 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 3icc h GLN 128 Cb 0.49 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 3icc h GLN 128 CO 0.02 -0.02 -0.34 1.96 -1.93 0.00 0.00 178.83 178.52 3icc h GLN 129 N -0.03 0.00 0.00 1.69 1.08 -1.07 -3.07 115.11 113.72 3icc h GLN 129 Ca 0.28 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.38 3icc h GLN 129 Cb 0.46 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 3icc h GLN 129 CO -0.62 0.34 -0.45 0.00 -0.95 0.00 0.00 178.83 177.15 3icc h ALA 130 N 1.66 1.26 -0.33 3.87 0.00 0.46 -3.33 119.26 122.86 3icc h ALA 130 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3icc h ALA 130 Cb 0.94 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3icc h ALA 130 CO 0.04 0.56 0.19 -0.07 0.00 0.00 0.00 179.25 179.97 3icc h LEU 131 N 0.00 0.38 -0.12 0.00 3.38 -1.24 0.24 115.31 117.95 3icc h LEU 131 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3icc h LEU 131 Cb 0.79 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3icc h LEU 131 CO 0.06 0.31 0.00 -1.54 0.09 0.00 0.00 178.44 177.35 3icc n SER 132 N -4.46 0.29 -0.03 -0.43 3.41 -1.25 -3.63 113.62 107.51 3icc n SER 132 Ca 0.02 0.54 -0.00 0.00 -0.26 0.00 0.00 58.87 59.17 3icc n SER 132 Cb 0.09 -0.62 -0.10 0.00 -0.26 0.00 0.00 64.21 63.33 3icc n SER 132 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3icc n ARG 133 N -1.79 1.32 -2.09 4.33 1.74 0.66 -4.98 116.66 115.84 3icc n ARG 133 Ca 0.05 -0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 3icc n ARG 133 Cb 0.30 -1.30 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 3icc n ARG 133 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3icc s LEU 134 N -4.43 4.39 0.80 0.55 1.43 -0.07 -1.40 118.68 119.95 3icc s LEU 134 Ca -0.05 2.51 -0.11 0.00 -1.03 0.00 0.00 54.13 55.45 3icc s LEU 134 Cb 0.06 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.74 3icc s LEU 134 CO 0.50 -0.66 1.09 -0.13 0.23 0.00 0.00 176.35 177.39 3icc s ARG 135 N 0.20 2.04 0.76 1.70 0.52 -0.40 -4.90 118.95 118.87 3icc s ARG 135 Ca 0.61 0.76 -0.14 0.00 -0.52 0.00 0.00 55.73 56.43 3icc s ARG 135 Cb -0.40 -1.90 0.05 0.00 0.52 0.00 0.00 34.95 33.23 3icc s ARG 135 CO 0.37 -1.68 1.19 -0.51 0.02 0.00 0.00 175.30 174.69 3icc s ASP 136 N -3.75 4.05 -1.50 0.23 1.11 -1.26 -2.81 116.67 112.74 3icc s ASP 136 Ca 0.61 2.31 0.00 0.00 0.18 0.00 0.00 52.55 55.65 3icc s ASP 136 Cb -0.15 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.25 3icc s ASP 136 CO 0.55 -2.35 0.00 0.59 1.18 0.00 0.00 175.17 175.13 3icc n ASN 137 N -2.95 -4.81 -4.09 0.27 3.02 -0.47 -4.96 115.26 101.28 3icc n ASN 137 Ca 0.13 0.17 -0.30 0.00 -0.03 0.00 0.00 54.58 54.55 3icc n ASN 137 Cb 0.51 -3.83 0.19 0.00 -0.61 0.00 0.00 39.78 36.04 3icc n ASN 137 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3icc s SER 138 N -2.53 3.04 -0.04 6.41 0.01 -1.12 -4.86 113.70 114.60 3icc s SER 138 Ca 0.00 0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.47 3icc s SER 138 Cb 0.00 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 66.03 3icc s SER 138 CO 0.00 -2.77 -0.02 -0.13 0.41 0.00 0.00 173.24 170.72 3icc s ARG 139 N -5.89 0.63 -0.13 12.44 1.81 -0.30 -1.85 118.95 125.67 3icc s ARG 139 Ca 0.75 -0.02 0.02 0.00 -1.72 0.00 0.00 55.73 54.75 3icc s ARG 139 Cb -0.03 -0.74 -0.01 0.00 -0.45 0.00 0.00 34.95 33.72 3icc s ARG 139 CO 0.53 -0.13 -0.18 0.42 -0.68 0.00 0.00 175.30 175.27 3icc s ILE 140 N 1.09 2.57 -0.11 1.52 1.01 -0.13 -1.17 121.20 125.98 3icc s ILE 140 Ca -0.09 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.74 3icc s ILE 140 Cb -0.14 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.31 3icc s ILE 140 CO -0.01 0.54 -0.08 -0.63 0.00 0.00 0.00 174.94 174.75 3icc s ILE 141 N 0.47 1.07 -0.18 2.92 1.01 -0.01 -1.49 121.20 124.99 3icc s ILE 141 Ca -0.12 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.13 3icc s ILE 141 Cb -0.17 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 3icc s ILE 141 CO 0.05 0.37 0.06 0.20 0.00 0.00 0.00 174.94 175.62 3icc s ASN 142 N 1.63 5.58 -0.31 3.58 0.01 0.01 -0.75 114.94 124.69 3icc s ASN 142 Ca 0.04 0.08 -0.21 0.00 -0.71 0.00 0.00 52.86 52.06 3icc s ASN 142 Cb -0.13 -1.94 -0.01 0.00 0.41 0.00 0.00 41.25 39.58 3icc s ASN 142 CO -0.08 0.18 0.65 -0.63 -1.51 0.00 0.00 177.10 175.71 3icc s ILE 143 N 0.32 4.92 0.00 0.60 -1.09 -0.17 -0.93 121.20 124.85 3icc s ILE 143 Ca 0.03 0.89 0.00 0.00 -2.23 0.00 0.00 60.65 59.34 3icc s ILE 143 Cb -0.12 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.74 3icc s ILE 143 CO 0.00 -0.15 0.00 -0.24 -1.23 0.00 0.00 174.94 173.32 3icc n SER 144 N 5.91 0.00 -3.59 3.58 2.88 0.12 -4.88 113.62 117.64 3icc n SER 144 Ca -0.01 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.38 3icc n SER 144 Cb 0.49 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.88 3icc n SER 144 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3icc s SER 145 N -0.33 -0.70 0.10 -3.46 0.15 -1.26 -4.40 113.70 103.80 3icc s SER 145 Ca 0.00 1.16 0.08 0.00 0.70 0.00 0.00 55.95 57.89 3icc s SER 145 Cb 0.00 1.10 0.43 0.00 -1.71 0.00 0.00 66.02 65.84 3icc s SER 145 CO 0.00 -0.38 1.26 0.00 1.20 0.00 0.00 173.24 175.32 3icc n ALA 146 N 2.01 1.09 0.33 5.45 0.00 -0.04 -1.97 120.51 127.38 3icc n ALA 146 Ca -0.16 0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.43 3icc n ALA 146 Cb 0.56 -1.13 0.40 0.00 0.00 0.00 0.00 19.45 19.28 3icc n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3icc n ALA 147 N -1.59 1.47 0.89 0.00 0.00 -1.26 -0.76 120.51 119.24 3icc n ALA 147 Ca -0.00 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.63 3icc n ALA 147 Cb 0.03 -1.29 0.48 0.00 0.00 0.00 0.00 19.45 18.67 3icc n ALA 147 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3icc n THR 148 N -1.96 0.16 -0.05 0.00 -2.24 -0.83 -3.87 114.28 105.48 3icc n THR 148 Ca 0.02 -0.08 -0.05 0.00 -2.27 0.00 0.00 64.05 61.66 3icc n THR 148 Cb 0.15 -0.37 -0.08 0.00 -2.10 0.00 0.00 70.33 67.93 3icc n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3icc n ARG 149 N -1.71 2.33 -4.22 -0.78 0.63 0.06 -4.98 116.66 107.98 3icc n ARG 149 Ca 0.06 -0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.65 3icc n ARG 149 Cb 0.37 -1.26 -0.15 0.00 0.45 0.00 0.00 32.46 31.87 3icc n ARG 149 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3icc s ILE 150 N -2.25 2.83 -0.04 5.15 1.01 -0.07 -5.09 121.20 122.75 3icc s ILE 150 Ca -0.05 -0.69 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 3icc s ILE 150 Cb 0.03 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 3icc s ILE 150 CO 0.42 0.49 1.37 -0.55 0.00 0.00 0.00 174.94 176.66 3icc s SER 151 N 1.12 6.89 -0.56 3.58 0.15 -1.26 -4.37 113.70 119.25 3icc s SER 151 Ca 0.01 2.01 0.04 0.00 0.70 0.00 0.00 55.95 58.71 3icc s SER 151 Cb -0.14 -2.55 0.15 0.00 -1.71 0.00 0.00 66.02 61.77 3icc s SER 151 CO -0.04 -0.72 0.37 -0.76 1.20 0.00 0.00 173.24 173.30 3icc s LEU 152 N 2.64 3.69 0.58 3.45 1.43 -1.26 -4.97 118.68 124.24 3icc s LEU 152 Ca 0.62 -3.29 0.28 0.00 -1.03 0.00 0.00 54.13 50.71 3icc s LEU 152 Cb -0.29 -1.30 1.67 0.00 0.03 0.00 0.00 46.19 46.30 3icc s LEU 152 CO 0.24 -0.17 2.14 -0.65 0.23 0.00 0.00 176.35 178.14 3icc h PRO 153 N 5.94 0.00 0.00 1.29 0.11 -1.96 -0.55 132.00 136.83 3icc h PRO 153 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3icc h PRO 153 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3icc h PRO 153 CO 0.60 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 3icc n ASP 154 N -3.86 0.00 -1.96 -2.05 5.75 -1.26 -2.99 116.55 110.17 3icc n ASP 154 Ca 0.00 -0.45 -0.08 0.00 -0.01 0.00 0.00 54.79 54.26 3icc n ASP 154 Cb 0.26 -0.14 0.06 0.00 -1.03 0.00 0.00 41.12 40.27 3icc n ASP 154 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3icc n PHE 155 N -1.14 1.47 -0.05 2.11 3.72 -0.22 -0.76 117.46 122.59 3icc n PHE 155 Ca 0.16 -1.85 -0.10 0.00 -0.05 0.00 0.00 57.45 55.60 3icc n PHE 155 Cb 0.15 -0.27 -0.04 0.00 -0.94 0.00 0.00 39.48 38.38 3icc n PHE 155 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 3icc h ILE 156 N 3.66 1.12 -0.65 4.37 2.10 -1.53 -0.49 117.51 126.10 3icc h ILE 156 Ca 0.07 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.67 3icc h ILE 156 Cb 1.41 1.00 -0.03 0.00 -1.09 0.00 0.00 36.82 38.11 3icc h ILE 156 CO 0.37 0.12 0.41 0.00 -1.08 0.00 0.00 178.15 177.96 3icc h ALA 157 N 0.97 0.82 -0.41 0.18 0.00 -1.90 -2.55 119.26 116.37 3icc h ALA 157 Ca 0.07 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3icc h ALA 157 Cb 0.10 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.55 3icc h ALA 157 CO -0.01 0.27 -0.12 -0.92 0.00 0.00 0.00 179.25 178.47 3icc h TYR 158 N 0.87 -0.27 0.00 0.00 3.20 -1.74 -2.04 116.97 116.99 3icc h TYR 158 Ca 0.23 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.14 3icc h TYR 158 Cb -0.06 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.39 3icc h TYR 158 CO -0.02 -0.20 0.00 0.43 -1.64 0.00 0.00 178.16 176.73 3icc n SER 159 N -5.33 0.00 0.00 -2.11 7.64 -0.23 -2.01 113.62 111.59 3icc n SER 159 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 3icc n SER 159 Cb 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 3icc n SER 159 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3icc n THR 161 N 0.75 0.00 0.13 0.44 -2.24 -0.77 -0.65 114.28 111.94 3icc n THR 161 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 3icc n THR 161 Cb 0.00 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.45 3icc n THR 161 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3icc h LYS 162 N 0.00 0.09 -0.41 -0.78 1.79 -1.69 -2.35 116.57 113.22 3icc h LYS 162 Ca 0.00 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.33 3icc h LYS 162 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 3icc h LYS 162 CO 0.00 0.58 -0.11 0.78 -1.08 0.00 0.00 179.45 179.63 3icc h GLY 163 N 1.49 0.78 0.87 3.86 0.00 -1.17 -0.82 103.07 108.09 3icc h GLY 163 Ca -0.00 -0.58 0.04 0.00 0.00 0.00 0.00 47.33 46.79 3icc h GLY 163 CO 0.07 0.53 0.59 0.00 0.00 0.00 0.00 176.54 177.74 3icc h ALA 164 N 1.22 1.21 -0.42 3.60 0.00 -1.77 -1.72 119.26 121.39 3icc h ALA 164 Ca 0.11 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3icc h ALA 164 Cb 0.57 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3icc h ALA 164 CO 0.04 0.45 -0.00 0.82 0.00 0.00 0.00 179.25 180.56 3icc h ILE 165 N 1.15 1.26 -0.25 0.00 1.08 -0.91 -2.96 117.51 116.87 3icc h ILE 165 Ca 0.37 -1.02 0.05 0.00 -0.39 0.00 0.00 64.86 63.87 3icc h ILE 165 Cb 0.01 1.10 -0.05 0.00 -3.07 0.00 0.00 36.82 34.81 3icc h ILE 165 CO -0.12 0.35 -0.06 0.78 -0.69 0.00 0.00 178.15 178.41 3icc h ASN 166 N 0.57 -0.22 0.00 1.72 2.35 -0.89 -0.51 115.58 118.61 3icc h ASN 166 Ca 0.12 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3icc h ASN 166 Cb 0.48 0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3icc h ASN 166 CO 0.02 -0.08 0.00 0.41 -1.65 0.00 0.00 177.43 176.13 3icc n THR 167 N -5.22 0.21 0.00 2.81 -1.04 -0.67 -2.01 114.28 108.36 3icc n THR 167 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3icc n THR 167 Cb 0.15 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 3icc n THR 167 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3icc n THR 169 N 0.89 0.00 -0.29 12.58 -1.04 -0.20 -1.46 114.28 124.76 3icc n THR 169 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 3icc n THR 169 Cb 0.10 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.68 3icc n THR 169 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 3icc h PHE 170 N 0.00 1.22 0.04 -1.42 3.57 -1.61 -2.56 116.94 116.18 3icc h PHE 170 Ca 0.00 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 3icc h PHE 170 Cb 0.00 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.37 3icc h PHE 170 CO 0.00 0.92 -0.02 1.15 -2.23 0.00 0.00 178.31 178.13 3icc h THR 171 N 1.17 1.12 -0.05 4.41 2.02 -1.52 -3.20 112.91 116.85 3icc h THR 171 Ca 0.27 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 66.89 3icc h THR 171 Cb 0.21 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 3icc h THR 171 CO -0.02 0.13 -0.21 0.25 0.37 0.00 0.00 175.52 176.04 3icc h LEU 172 N -0.28 0.08 -1.20 2.58 5.85 -1.79 -2.89 115.31 117.66 3icc h LEU 172 Ca -0.01 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.77 3icc h LEU 172 Cb 0.25 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 3icc h LEU 172 CO 0.01 0.30 0.57 0.00 -0.34 0.00 0.00 178.44 178.97 3icc h ALA 173 N 1.71 1.59 -0.40 1.25 0.00 -1.45 0.21 119.26 122.18 3icc h ALA 173 Ca 0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3icc h ALA 173 Cb 0.42 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3icc h ALA 173 CO 0.03 0.26 -0.00 -0.22 0.00 0.00 0.00 179.25 179.32 3icc h LYS 174 N 0.94 0.70 -0.25 0.00 3.64 -1.59 -2.69 116.57 117.31 3icc h LYS 174 Ca 0.39 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3icc h LYS 174 Cb 0.29 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3icc h LYS 174 CO -0.15 0.79 0.00 0.37 -2.27 0.00 0.00 179.45 178.20 3icc h GLN 175 N 0.53 0.43 -0.00 1.90 4.15 -1.30 -3.28 115.11 117.55 3icc h GLN 175 Ca 0.11 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3icc h GLN 175 Cb 0.48 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.13 3icc h GLN 175 CO 0.02 0.60 -0.04 1.28 -1.93 0.00 0.00 178.83 178.76 3icc n LEU 176 N -4.64 0.08 0.27 -2.39 4.77 0.63 -3.55 117.00 112.16 3icc n LEU 176 Ca -0.04 0.35 0.14 0.00 -0.03 0.00 0.00 56.01 56.43 3icc n LEU 176 Cb 0.24 -0.38 0.79 0.00 -2.33 0.00 0.00 43.42 41.74 3icc n LEU 176 CO 0.38 0.02 1.02 1.23 -1.33 0.00 0.00 177.39 178.70 3icc h GLY 177 N 5.00 0.00 2.00 -0.72 0.00 -1.54 -0.15 103.07 107.66 3icc h GLY 177 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3icc h GLY 177 CO 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.53 3icc h ALA 178 N 1.92 1.59 -0.62 3.60 0.00 -1.79 -0.86 119.26 123.09 3icc h ALA 178 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3icc h ALA 178 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3icc h ALA 178 CO 0.01 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.81 3icc n ARG 179 N -3.95 2.89 -1.01 0.00 1.74 -0.10 -4.93 116.66 111.30 3icc n ARG 179 Ca -0.03 -2.55 -0.00 0.00 -0.77 0.00 0.00 57.85 54.50 3icc n ARG 179 Cb 0.09 -1.54 -0.00 0.00 -1.02 0.00 0.00 32.46 29.99 3icc n ARG 179 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3icc n GLY 180 N 1.28 0.33 3.73 -0.13 0.00 -0.33 -1.36 105.19 108.70 3icc n GLY 180 Ca 0.22 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3icc n GLY 180 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3icc s ILE 181 N -1.63 4.94 0.13 -0.61 1.01 -1.04 -3.64 121.20 120.37 3icc s ILE 181 Ca 0.00 1.50 0.03 0.00 0.00 0.00 0.00 60.65 62.18 3icc s ILE 181 Cb 0.00 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 3icc s ILE 181 CO 0.00 0.29 0.21 0.42 0.00 0.00 0.00 174.94 175.86 3icc s THR 182 N 0.49 5.00 -0.07 2.92 -4.23 -0.77 -3.85 115.64 115.13 3icc s THR 182 Ca 0.38 -0.77 -0.02 0.00 -1.18 0.00 0.00 61.69 60.10 3icc s THR 182 Cb -0.19 -3.53 0.03 0.00 1.34 0.00 0.00 72.50 70.16 3icc s THR 182 CO 0.20 -0.04 0.04 -0.69 -0.54 0.00 0.00 174.62 173.59 3icc s VAL 183 N -1.67 0.07 0.12 2.29 1.01 -1.26 -0.96 120.40 120.00 3icc s VAL 183 Ca 0.33 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 3icc s VAL 183 Cb -0.11 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 3icc s VAL 183 CO 0.26 0.13 0.04 0.20 0.00 0.00 0.00 175.10 175.74 3icc s ASN 184 N 2.09 0.35 0.09 3.32 0.01 -0.55 -0.04 114.94 120.20 3icc s ASN 184 Ca 0.04 -1.17 0.09 0.00 -0.71 0.00 0.00 52.86 51.11 3icc s ASN 184 Cb -0.13 0.28 -0.03 0.00 0.41 0.00 0.00 41.25 41.78 3icc s ASN 184 CO -0.05 -0.71 -0.23 0.00 -1.51 0.00 0.00 177.10 174.61 3icc s ALA 185 N -4.02 1.98 -0.10 0.60 0.00 -0.30 -0.81 121.76 119.12 3icc s ALA 185 Ca 0.21 -1.26 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 3icc s ALA 185 Cb 0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 3icc s ALA 185 CO -0.00 0.43 -0.09 0.42 0.00 0.00 0.00 175.76 176.52 3icc s ILE 186 N -1.02 3.51 -0.52 0.00 1.01 -0.11 -1.33 121.20 122.75 3icc s ILE 186 Ca 0.09 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.22 3icc s ILE 186 Cb -0.10 -2.46 0.13 0.00 0.01 0.00 0.00 42.46 40.04 3icc s ILE 186 CO 0.04 0.56 0.29 -0.76 0.00 0.00 0.00 174.94 175.07 3icc s LEU 187 N -0.26 4.83 0.57 2.97 1.02 -0.13 0.12 118.68 127.80 3icc s LEU 187 Ca 0.03 -2.72 -0.16 0.00 0.02 0.00 0.00 54.13 51.30 3icc s LEU 187 Cb -0.13 -1.74 -0.05 0.00 0.02 0.00 0.00 46.19 44.29 3icc s LEU 187 CO 0.03 -0.34 1.04 -2.84 0.02 0.00 0.00 176.35 174.25 3icc s PRO 188 N 0.13 3.53 0.00 1.29 0.02 -1.26 -1.20 135.00 137.50 3icc s PRO 188 Ca 0.15 1.14 0.00 0.00 0.02 0.00 0.00 61.00 62.31 3icc s PRO 188 Cb -0.23 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.23 3icc s PRO 188 CO -0.03 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 3icc n GLY 189 N -1.13 1.50 3.70 0.52 0.00 -1.19 -0.86 105.19 107.73 3icc n GLY 189 Ca 0.08 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3icc n GLY 189 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3icc s PHE 190 N 2.20 3.01 -0.06 1.61 0.08 -1.26 -4.90 117.98 118.67 3icc s PHE 190 Ca 0.00 0.83 0.04 0.00 0.12 0.00 0.00 56.93 57.92 3icc s PHE 190 Cb 0.00 -3.71 0.00 0.00 -0.57 0.00 0.00 43.02 38.74 3icc s PHE 190 CO 0.00 -2.57 -0.17 0.08 -0.10 0.00 0.00 175.22 172.45 3icc s VAL 191 N 1.74 1.49 -0.19 -0.44 1.01 -1.26 -2.01 120.40 120.74 3icc s VAL 191 Ca 0.65 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 3icc s VAL 191 Cb -0.35 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3icc s VAL 191 CO 0.29 0.43 1.60 -0.54 0.00 0.00 0.00 175.10 176.89 3icc s LYS 192 N 0.22 3.88 0.42 2.72 1.02 -0.51 -4.77 119.74 122.71 3icc s LYS 192 Ca -0.09 1.75 0.04 0.00 0.02 0.00 0.00 55.97 57.69 3icc s LYS 192 Cb -0.14 -4.01 -0.02 0.00 -0.52 0.00 0.00 37.83 33.14 3icc s LYS 192 CO 0.04 -1.19 0.15 0.95 -0.92 0.00 0.00 175.35 174.37 3icc s THR 193 N 4.93 0.49 0.00 2.17 -4.23 -1.26 -4.44 115.64 113.30 3icc s THR 193 Ca 0.71 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 3icc s THR 193 Cb -0.26 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.27 3icc s THR 193 CO 0.28 0.00 0.52 0.47 -0.54 0.00 0.00 174.62 175.35 3icc n ASP 194 N -1.42 1.53 0.00 3.99 8.00 -1.26 -3.14 116.55 124.25 3icc n ASP 194 Ca -0.05 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.43 3icc n ASP 194 Cb 0.64 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 3icc n ASP 194 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3icc n ASN 196 N 0.82 0.00 0.00 -2.24 4.13 -1.26 -4.61 115.26 112.10 3icc n ASN 196 Ca 0.00 0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.33 3icc n ASN 196 Cb 0.24 0.00 0.40 0.00 -1.54 0.00 0.00 39.78 38.88 3icc n ASN 196 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3icc n ALA 197 N 0.00 2.13 -0.11 5.41 0.00 -1.19 -1.75 120.51 124.99 3icc n ALA 197 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.16 3icc n ALA 197 Cb 0.00 -1.22 -0.07 0.00 0.00 0.00 0.00 19.45 18.16 3icc n ALA 197 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3icc n GLU 198 N -0.89 0.55 -0.38 0.00 2.13 -1.26 -2.79 120.64 118.01 3icc n GLU 198 Ca 0.10 0.29 0.29 0.00 0.66 0.00 0.00 57.16 58.51 3icc n GLU 198 Cb 0.05 -1.51 0.57 0.00 0.27 0.00 0.00 31.44 30.81 3icc n GLU 198 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3icc h LEU 199 N -1.00 0.37 -0.96 4.31 5.85 -1.95 0.29 115.31 122.22 3icc h LEU 199 Ca -0.36 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3icc h LEU 199 Cb 1.27 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3icc h LEU 199 CO -0.22 -0.08 0.00 -0.11 -0.34 0.00 0.00 178.44 177.69 3icc n LEU 200 N -4.75 1.46 0.06 2.25 7.94 -0.72 -4.12 117.00 119.13 3icc n LEU 200 Ca 0.32 -0.56 -0.21 0.00 -1.11 0.00 0.00 56.01 54.45 3icc n LEU 200 Cb 1.15 -0.05 -0.12 0.00 0.53 0.00 0.00 43.42 44.93 3icc n LEU 200 CO 0.20 0.28 0.04 0.77 -1.11 0.00 0.00 177.39 177.56 3icc h SER 201 N 2.10 0.86 -2.25 1.96 4.64 -0.24 -3.41 113.55 117.22 3icc h SER 201 Ca 0.00 -0.78 -0.56 0.00 -0.47 0.00 0.00 61.79 59.99 3icc h SER 201 Cb 0.45 -0.27 0.02 0.00 -0.31 0.00 0.00 62.40 62.29 3icc h SER 201 CO 0.00 1.54 1.22 -0.67 -0.87 0.00 0.00 176.83 178.05 3icc n ASP 202 N -3.87 3.95 -4.58 4.97 2.03 -1.25 -4.90 116.55 112.89 3icc n ASP 202 Ca -0.12 0.87 -0.20 0.00 0.52 0.00 0.00 54.79 55.86 3icc n ASP 202 Cb 0.90 -1.49 -0.09 0.00 -0.72 0.00 0.00 41.12 39.72 3icc n ASP 202 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3icc s PRO 203 N 4.51 1.75 0.00 -0.67 0.02 -1.26 -4.66 135.00 134.69 3icc s PRO 203 Ca 0.91 -0.60 0.00 0.00 0.02 0.00 0.00 61.00 61.33 3icc s PRO 203 Cb -0.49 -5.06 0.00 0.00 0.02 0.00 0.00 34.50 28.97 3icc s PRO 203 CO 0.44 -4.77 0.00 1.17 -0.33 0.00 0.00 177.00 173.51 3icc n LYS 206 N 8.31 0.00 -0.20 5.54 4.81 -1.26 -4.69 118.16 130.67 3icc n LYS 206 Ca 0.43 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.80 3icc n LYS 206 Cb 0.46 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.54 3icc n LYS 206 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3icc h GLN 207 N 0.00 0.76 -0.09 1.64 5.75 -1.96 0.20 115.11 121.41 3icc h GLN 207 Ca 0.00 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.45 3icc h GLN 207 Cb 0.00 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 3icc h GLN 207 CO 0.00 0.53 0.01 -0.92 -2.65 0.00 0.00 178.83 175.80 3icc h TYR 208 N 0.76 0.01 -0.07 3.99 3.20 -1.96 -1.40 116.97 121.50 3icc h TYR 208 Ca 0.20 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.97 3icc h TYR 208 Cb -0.04 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3icc h TYR 208 CO -0.03 -0.00 -0.48 0.00 -1.64 0.00 0.00 178.16 176.01 3icc h ALA 209 N 1.07 1.08 0.36 1.82 0.00 -1.88 -2.01 119.26 119.69 3icc h ALA 209 Ca 0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3icc h ALA 209 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3icc h ALA 209 CO -0.06 0.63 -0.17 1.15 0.00 0.00 0.00 179.25 180.79 3icc h THR 210 N 0.13 0.34 -0.00 0.00 2.02 -0.54 -3.35 112.91 111.51 3icc h THR 210 Ca 0.01 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.48 3icc h THR 210 Cb 0.90 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3icc h THR 210 CO 0.07 0.08 -0.03 0.35 0.37 0.00 0.00 175.52 176.36 3icc n THR 211 N -5.11 0.00 0.23 3.16 -2.24 -0.53 -2.94 114.28 106.84 3icc n THR 211 Ca -0.08 -0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.76 3icc n THR 211 Cb 0.25 -0.44 0.53 0.00 -2.10 0.00 0.00 70.33 68.58 3icc n THR 211 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3icc h ILE 212 N 0.05 1.08 -3.86 2.28 2.10 -1.49 -3.44 117.51 114.23 3icc h ILE 212 Ca 0.00 -0.53 -0.50 0.00 1.08 0.00 0.00 64.86 64.91 3icc h ILE 212 Cb 0.38 1.29 0.02 0.00 -1.09 0.00 0.00 36.82 37.42 3icc h ILE 212 CO 0.00 0.15 0.47 -0.55 -1.08 0.00 0.00 178.15 177.14 3icc s SER 213 N -6.97 7.06 0.64 2.19 0.15 -1.18 -1.72 113.70 113.87 3icc s SER 213 Ca -0.04 2.24 0.41 0.00 0.70 0.00 0.00 55.95 59.26 3icc s SER 213 Cb 0.16 -2.62 2.20 0.00 -1.71 0.00 0.00 66.02 64.05 3icc s SER 213 CO 0.69 -0.29 2.30 0.00 1.20 0.00 0.00 173.24 177.14 3icc h ALA 214 N 3.38 1.06 -0.02 5.45 0.00 -0.84 -1.70 119.26 126.59 3icc h ALA 214 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3icc h ALA 214 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3icc h ALA 214 CO 0.65 0.01 -0.15 1.19 0.00 0.00 0.00 179.25 180.95 3icc n PHE 215 N -3.18 0.00 -3.85 0.00 3.72 -1.25 -4.99 117.46 107.92 3icc n PHE 215 Ca -0.02 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.13 3icc n PHE 215 Cb 0.11 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 3icc n PHE 215 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3icc n ASN 216 N 0.30 -1.05 -3.70 4.37 3.02 -0.64 -5.00 115.26 112.56 3icc n ASN 216 Ca 0.14 -0.91 -0.11 0.00 -0.03 0.00 0.00 54.58 53.67 3icc n ASN 216 Cb 0.45 -3.53 -0.06 0.00 -0.61 0.00 0.00 39.78 36.03 3icc n ASN 216 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3icc s ARG 217 N -6.32 0.96 0.54 3.52 1.70 -1.15 -4.81 118.95 113.38 3icc s ARG 217 Ca 0.07 -0.66 -0.20 0.00 -0.47 0.00 0.00 55.73 54.47 3icc s ARG 217 Cb -0.04 0.41 -0.06 0.00 -0.57 0.00 0.00 34.95 34.70 3icc s ARG 217 CO 0.85 -0.34 1.17 -0.51 -1.08 0.00 0.00 175.30 175.39 3icc s LEU 218 N -2.55 3.79 0.67 -1.89 1.43 -1.26 -4.75 118.68 114.12 3icc s LEU 218 Ca 0.01 2.28 -0.15 0.00 -1.03 0.00 0.00 54.13 55.24 3icc s LEU 218 Cb 0.01 -4.50 0.01 0.00 0.03 0.00 0.00 46.19 41.74 3icc s LEU 218 CO -0.09 -1.26 1.13 -0.83 0.23 0.00 0.00 176.35 175.53 3icc s GLY 219 N -1.60 2.22 0.23 -3.19 0.00 -0.85 -4.90 107.32 99.22 3icc s GLY 219 Ca 0.72 0.63 0.10 0.00 0.00 0.00 0.00 44.72 46.17 3icc s GLY 219 CO 0.31 1.00 -0.19 -0.54 0.00 0.00 0.00 173.10 173.68 3icc s GLU 220 N -4.02 1.49 0.42 2.90 0.41 -1.26 -1.42 118.70 117.23 3icc s GLU 220 Ca 0.69 -1.62 0.08 0.00 -0.41 0.00 0.00 54.97 53.71 3icc s GLU 220 Cb -0.22 -1.55 0.89 0.00 -1.78 0.00 0.00 34.13 31.47 3icc s GLU 220 CO 0.42 0.30 2.06 -0.39 -0.49 0.00 0.00 175.26 177.15 3icc h VAL 221 N 2.68 1.10 0.00 2.63 -1.51 -1.93 -1.28 116.25 117.93 3icc h VAL 221 Ca -0.41 -0.21 -0.06 0.00 -1.23 0.00 0.00 66.70 64.79 3icc h VAL 221 Cb 1.23 0.60 -0.01 0.00 -2.13 0.00 0.00 31.29 30.98 3icc h VAL 221 CO 0.57 0.10 -0.26 -0.33 -1.23 0.00 0.00 177.57 176.42 3icc h GLU 222 N 0.48 0.00 -0.68 5.19 3.07 -1.95 -1.45 114.58 119.25 3icc h GLU 222 Ca 0.13 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.97 3icc h GLU 222 Cb -0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 3icc h GLU 222 CO -0.03 0.26 0.35 -0.44 -1.40 0.00 0.00 179.01 177.76 3icc h ASP 223 N 0.00 0.84 -0.00 1.42 3.32 -1.64 0.13 116.42 120.50 3icc h ASP 223 Ca -0.00 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 56.84 3icc h ASP 223 Cb 0.47 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.81 3icc h ASP 223 CO 0.03 0.70 -0.52 0.40 -1.72 0.00 0.00 179.24 178.14 3icc h ILE 224 N 0.95 1.46 -0.65 0.35 1.08 -1.46 -3.27 117.51 115.97 3icc h ILE 224 Ca 0.24 -2.05 -0.04 0.00 -0.39 0.00 0.00 64.86 62.62 3icc h ILE 224 Cb 0.06 2.65 -0.03 0.00 -3.07 0.00 0.00 36.82 36.42 3icc h ILE 224 CO -0.04 0.59 0.26 0.00 -0.69 0.00 0.00 178.15 178.27 3icc h ALA 225 N 0.30 1.23 -0.02 1.87 0.00 -1.01 -1.28 119.26 120.36 3icc h ALA 225 Ca -0.06 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3icc h ALA 225 Cb 1.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3icc h ALA 225 CO 0.10 0.56 -0.33 -0.44 0.00 0.00 0.00 179.25 179.14 3icc h ASP 226 N 0.94 0.03 0.14 0.00 3.32 -0.83 -1.15 116.42 118.86 3icc h ASP 226 Ca 0.22 -0.01 -0.31 0.00 0.02 0.00 0.00 57.03 56.95 3icc h ASP 226 Cb 0.18 -0.01 0.03 0.00 0.22 0.00 0.00 39.33 39.76 3icc h ASP 226 CO -0.02 0.36 -1.28 0.74 -1.72 0.00 0.00 179.24 177.32 3icc h THR 227 N 0.03 1.28 -0.81 0.35 2.02 -1.50 -3.21 112.91 111.07 3icc h THR 227 Ca 0.00 -2.49 0.12 0.00 0.77 0.00 0.00 66.41 64.81 3icc h THR 227 Cb 0.60 2.74 -0.06 0.00 -1.74 0.00 0.00 68.15 69.69 3icc h THR 227 CO 0.04 0.76 0.53 0.00 0.37 0.00 0.00 175.52 177.22 3icc h ALA 228 N 0.27 1.85 -0.44 6.16 0.00 -1.03 -1.84 119.26 124.22 3icc h ALA 228 Ca -0.20 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3icc h ALA 228 Cb 1.95 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 3icc h ALA 228 CO 0.25 -0.04 0.15 0.00 0.00 0.00 0.00 179.25 179.61 3icc h ALA 229 N 1.61 1.44 -0.02 0.00 0.00 -1.22 0.59 119.26 121.67 3icc h ALA 229 Ca 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3icc h ALA 229 Cb 0.59 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3icc h ALA 229 CO -0.15 0.42 -0.02 0.35 0.00 0.00 0.00 179.25 179.84 3icc h PHE 230 N 0.62 0.05 0.00 0.00 3.57 -1.41 -2.94 116.94 116.84 3icc h PHE 230 Ca 0.15 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3icc h PHE 230 Cb 0.17 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 3icc h PHE 230 CO 0.01 0.55 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.44 3icc h LEU 231 N -0.46 0.00 -0.01 0.59 3.38 -1.04 -1.26 115.31 116.51 3icc h LEU 231 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3icc h LEU 231 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3icc h LEU 231 CO 0.01 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.66 3icc n ALA 232 N -2.43 2.28 -2.47 1.53 0.00 0.16 -4.85 120.51 114.74 3icc n ALA 232 Ca -0.02 -0.06 -0.24 0.00 0.00 0.00 0.00 53.44 53.11 3icc n ALA 232 Cb 0.21 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.19 3icc n ALA 232 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3icc s SER 233 N -3.77 6.14 0.52 0.00 1.04 -0.48 -4.89 113.70 112.27 3icc s SER 233 Ca 0.12 0.51 0.21 0.00 0.48 0.00 0.00 55.95 57.27 3icc s SER 233 Cb 0.15 -1.93 1.40 0.00 0.10 0.00 0.00 66.02 65.74 3icc s SER 233 CO 0.56 -0.48 2.13 -0.65 0.98 0.00 0.00 173.24 175.77 3icc h PRO 234 N 0.52 0.00 -0.08 4.02 0.11 -1.92 -2.78 132.00 131.87 3icc h PRO 234 Ca -0.48 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.65 3icc h PRO 234 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3icc h PRO 234 CO 0.60 0.06 0.08 -0.44 -0.21 0.00 0.00 178.00 178.09 3icc h ASP 235 N 0.00 0.00 -0.23 -2.05 3.32 -1.94 -2.46 116.42 113.06 3icc h ASP 235 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3icc h ASP 235 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3icc h ASP 235 CO 0.01 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.99 3icc n SER 236 N -3.95 2.81 0.28 6.45 3.41 -1.05 -4.58 113.62 116.98 3icc n SER 236 Ca -0.01 -2.35 0.18 0.00 -0.26 0.00 0.00 58.87 56.43 3icc n SER 236 Cb 0.18 -0.56 0.95 0.00 -0.26 0.00 0.00 64.21 64.51 3icc n SER 236 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3icc h ARG 237 N 1.56 0.00 -0.41 4.33 0.11 -1.65 -1.78 114.38 116.54 3icc h ARG 237 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3icc h ARG 237 Cb 1.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.14 3icc h ARG 237 CO 0.19 0.00 0.00 1.87 0.10 0.00 0.00 179.97 182.13 3icc n TRP 238 N -3.50 0.54 -3.74 4.08 -0.00 -1.26 -4.81 117.44 108.74 3icc n TRP 238 Ca -0.01 -0.32 -0.38 0.00 -0.00 0.00 0.00 57.50 56.79 3icc n TRP 238 Cb 0.22 -0.01 -0.12 0.00 -0.00 0.00 0.00 31.31 31.40 3icc n TRP 238 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 3icc s VAL 239 N -1.24 3.90 0.02 5.87 1.01 -0.67 -5.08 120.40 124.21 3icc s VAL 239 Ca 0.35 -1.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 3icc s VAL 239 Cb 0.20 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.42 3icc s VAL 239 CO 0.27 -0.14 0.25 0.28 0.00 0.00 0.00 175.10 175.77 3icc s THR 240 N 1.44 0.08 -1.40 3.92 -1.32 -1.26 -4.72 115.64 112.38 3icc s THR 240 Ca -0.00 -0.67 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 3icc s THR 240 Cb -0.19 -0.75 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 3icc s THR 240 CO 0.03 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 172.68 3icc n GLY 241 N 0.97 1.38 3.86 6.08 0.00 0.94 -4.96 105.19 113.46 3icc n GLY 241 Ca -0.20 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 3icc n GLY 241 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3icc s GLN 242 N -3.08 3.90 -0.42 1.61 -1.52 -1.25 -4.41 119.66 114.49 3icc s GLN 242 Ca 0.00 0.55 -0.01 0.00 -1.95 0.00 0.00 55.36 53.95 3icc s GLN 242 Cb 0.00 -2.45 0.11 0.00 -0.22 0.00 0.00 33.01 30.46 3icc s GLN 242 CO 0.00 0.11 0.20 -0.51 -0.25 0.00 0.00 175.29 174.84 3icc s LEU 243 N -3.25 5.13 -0.30 2.90 1.43 -1.26 -1.15 118.68 122.19 3icc s LEU 243 Ca 0.52 -2.16 -0.15 0.00 -1.03 0.00 0.00 54.13 51.31 3icc s LEU 243 Cb -0.10 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 3icc s LEU 243 CO 0.22 -0.49 0.39 -0.63 0.23 0.00 0.00 176.35 176.08 3icc s ILE 244 N 0.95 5.15 0.03 -0.59 -1.09 -0.44 -4.95 121.20 120.26 3icc s ILE 244 Ca 0.10 0.41 -0.30 0.00 -2.23 0.00 0.00 60.65 58.63 3icc s ILE 244 Cb -0.22 -3.77 -0.05 0.00 -1.58 0.00 0.00 42.46 36.85 3icc s ILE 244 CO -0.05 0.04 1.13 -0.62 -1.23 0.00 0.00 174.94 174.22 3icc s ASP 245 N 1.68 7.16 -0.46 3.58 2.15 -1.26 -0.95 116.67 128.56 3icc s ASP 245 Ca 0.15 1.89 0.08 0.00 0.43 0.00 0.00 52.55 55.10 3icc s ASP 245 Cb -0.16 -2.57 0.29 0.00 -0.30 0.00 0.00 42.92 40.17 3icc s ASP 245 CO 0.11 -0.42 0.68 0.52 -0.17 0.00 0.00 175.17 175.89 3icc n VAL 246 N 3.99 0.58 -0.66 1.11 0.31 -0.34 -4.86 118.33 118.45 3icc n VAL 246 Ca 0.08 -4.62 0.03 0.00 -0.01 0.00 0.00 64.34 59.82 3icc n VAL 246 Cb 0.48 -1.49 0.04 0.00 -0.91 0.00 0.00 33.84 31.96 3icc n VAL 246 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3icc n SER 247 N 0.79 1.63 -3.12 4.52 3.41 -1.26 -3.17 113.62 116.42 3icc n SER 247 Ca 0.25 -2.20 -0.23 0.00 -0.26 0.00 0.00 58.87 56.44 3icc n SER 247 Cb 0.52 -0.15 0.04 0.00 -0.26 0.00 0.00 64.21 64.36 3icc n SER 247 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3icc n GLY 248 N -0.67 -0.53 3.46 5.00 0.00 -1.26 -2.72 105.19 108.47 3icc n GLY 248 Ca 0.05 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 3icc n GLY 248 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3icc n GLY 249 N -1.62 -0.35 3.73 -0.02 0.00 -1.26 -1.14 105.19 104.53 3icc n GLY 249 Ca -0.09 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3icc n GLY 249 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3icc s SER 250 N -4.36 7.24 -1.47 1.61 0.01 -1.10 -2.53 113.70 113.09 3icc s SER 250 Ca 0.00 2.02 -0.06 0.00 1.31 0.00 0.00 55.95 59.22 3icc s SER 250 Cb -0.00 -2.59 0.05 0.00 0.21 0.00 0.00 66.02 63.68 3icc s SER 250 CO 0.74 -0.28 0.65 0.00 0.41 0.00 0.00 173.24 174.76