#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aia h ALA 2 N 0.00 0.02 -0.25 -1.46 0.00 -1.91 -1.19 119.26 114.48 2aia h ALA 2 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2aia h ALA 2 Cb 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2aia h ALA 2 CO 0.00 -0.53 0.00 0.97 0.00 0.00 0.00 179.25 179.69 2aia h ILE 3 N -0.08 1.15 -0.14 0.00 2.10 -1.90 -0.82 117.51 117.82 2aia h ILE 3 Ca 0.07 -0.59 -0.02 0.00 1.08 0.00 0.00 64.86 65.40 2aia h ILE 3 Cb 0.19 0.97 -0.01 0.00 -1.09 0.00 0.00 36.82 36.88 2aia h ILE 3 CO -0.17 0.20 0.01 -0.08 -1.08 0.00 0.00 178.15 177.03 2aia h GLU 4 N 0.36 0.24 0.00 2.19 4.81 -1.77 -1.81 114.58 118.60 2aia h GLU 4 Ca 0.08 -0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.05 2aia h GLU 4 Cb 0.24 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2aia h GLU 4 CO 0.01 0.45 -0.86 0.07 -0.73 0.00 0.00 179.01 177.95 2aia h ARG 5 N -0.00 0.14 -0.08 1.92 0.11 -1.07 -3.23 114.38 112.16 2aia h ARG 5 Ca 0.04 -0.15 -0.12 0.00 0.10 0.00 0.00 59.98 59.85 2aia h ARG 5 Cb 0.34 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 2aia h ARG 5 CO 0.01 0.91 -0.51 0.82 0.10 0.00 0.00 179.97 181.30 2aia h ILE 6 N 0.08 1.35 -0.01 0.08 2.04 -1.15 -3.05 117.51 116.85 2aia h ILE 6 Ca -0.03 -1.76 0.00 0.00 1.00 0.00 0.00 64.86 64.07 2aia h ILE 6 Cb 1.48 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 2aia h ILE 6 CO 0.13 0.52 0.00 -1.20 0.00 0.00 0.00 178.15 177.59 2aia n SER 7 N -3.94 0.79 -4.77 1.72 7.64 -0.68 -4.71 113.62 109.66 2aia n SER 7 Ca -0.02 -1.28 -0.41 0.00 1.01 0.00 0.00 58.87 58.18 2aia n SER 7 Cb 0.55 -0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.74 2aia n SER 7 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2aia s LYS 8 N -1.99 4.15 0.29 1.43 1.02 -1.15 -4.87 119.74 118.62 2aia s LYS 8 Ca 0.42 2.52 0.05 0.00 0.02 0.00 0.00 55.97 58.98 2aia s LYS 8 Cb 0.21 -3.00 0.73 0.00 -0.52 0.00 0.00 37.83 35.25 2aia s LYS 8 CO 0.35 -0.50 1.74 0.00 -0.92 0.00 0.00 175.35 176.02 2aia h ALA 9 N 3.45 1.55 0.00 5.17 0.00 -1.91 -0.94 119.26 126.58 2aia h ALA 9 Ca -0.50 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2aia h ALA 9 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2aia h ALA 9 CO 0.67 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.74 2aia h ALA 10 N 1.66 1.00 -2.51 0.00 0.00 -1.95 -3.46 119.26 114.01 2aia h ALA 10 Ca 0.56 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.94 2aia h ALA 10 Cb 0.96 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.76 2aia h ALA 10 CO -0.44 0.00 0.56 -1.58 0.00 0.00 0.00 179.25 177.79 2aia s HIS 11 N -3.22 3.44 -0.21 0.00 5.04 -0.36 -5.02 115.29 114.96 2aia s HIS 11 Ca 0.08 1.32 -0.03 0.00 -1.54 0.00 0.00 55.06 54.88 2aia s HIS 11 Cb 0.10 -3.42 -0.00 0.00 0.04 0.00 0.00 32.58 29.30 2aia s HIS 11 CO 0.53 -1.27 -0.07 -0.51 -2.34 0.00 0.00 174.74 171.08 2aia s LEU 12 N 0.88 2.77 0.24 8.88 1.43 -1.26 -4.89 118.68 126.72 2aia s LEU 12 Ca 0.58 -0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 52.95 2aia s LEU 12 Cb -0.30 -1.69 -0.10 0.00 0.03 0.00 0.00 46.19 44.13 2aia s LEU 12 CO 0.30 -0.01 1.43 -0.63 0.23 0.00 0.00 176.35 177.68 2aia s ILE 13 N 1.38 2.71 0.25 -0.59 1.01 -1.26 -5.00 121.20 119.69 2aia s ILE 13 Ca 0.05 0.59 0.05 0.00 0.00 0.00 0.00 60.65 61.34 2aia s ILE 13 Cb -0.14 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 2aia s ILE 13 CO -0.04 0.09 0.23 -0.90 0.00 0.00 0.00 174.94 174.32 2aia n ASP 14 N 2.41 -0.58 0.21 3.58 5.68 -1.26 -4.86 116.55 121.73 2aia n ASP 14 Ca 0.07 -2.60 0.16 0.00 -0.50 0.00 0.00 54.79 51.93 2aia n ASP 14 Cb 0.40 1.31 0.82 0.00 -1.14 0.00 0.00 41.12 42.52 2aia n ASP 14 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 2aia h MET 15 N 0.00 0.00 0.00 0.11 2.86 -1.84 -0.68 114.93 115.39 2aia h MET 15 Ca -0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2aia h MET 15 Cb 0.89 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.55 2aia h MET 15 CO 0.25 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.22 2aia n ASP 17 N -1.64 0.61 -4.58 0.00 10.43 -0.26 -4.87 116.55 116.24 2aia n ASP 17 Ca 0.04 -0.19 -0.41 0.00 2.57 0.00 0.00 54.79 56.79 2aia n ASP 17 Cb 0.21 0.79 -0.07 0.00 1.84 0.00 0.00 41.12 43.89 2aia n ASP 17 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2aia s ILE 18 N -3.20 4.98 0.60 0.53 1.01 -0.90 -4.33 121.20 119.88 2aia s ILE 18 Ca 0.03 0.55 -0.15 0.00 0.00 0.00 0.00 60.65 61.09 2aia s ILE 18 Cb 0.14 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2aia s ILE 18 CO 0.80 -0.18 1.04 0.27 0.00 0.00 0.00 174.94 176.87 2aia s ILE 19 N 2.49 4.02 0.53 2.92 -4.36 0.20 -4.98 121.20 122.03 2aia s ILE 19 Ca 0.21 0.89 0.01 0.00 -0.26 0.00 0.00 60.65 61.51 2aia s ILE 19 Cb -0.15 -3.47 0.01 0.00 1.25 0.00 0.00 42.46 40.11 2aia s ILE 19 CO 0.13 -0.63 0.12 0.54 0.24 0.00 0.00 174.94 175.34 2aia n ARG 20 N -2.16 0.72 -1.39 0.37 5.12 -1.26 -4.44 116.66 113.62 2aia n ARG 20 Ca 0.08 -3.69 -0.38 0.00 -1.93 0.00 0.00 57.85 51.93 2aia n ARG 20 Cb 0.53 0.82 0.03 0.00 -1.16 0.00 0.00 32.46 32.68 2aia n ARG 20 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2aia n GLU 21 N -1.44 0.35 0.00 5.56 1.02 -0.67 -2.42 120.64 123.04 2aia n GLU 21 Ca -0.16 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2aia n GLU 21 Cb 0.65 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 2aia n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2aia n GLY 22 N 2.00 2.94 3.63 0.62 0.00 -1.26 -5.01 105.19 108.11 2aia n GLY 22 Ca 0.10 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 2aia n GLY 22 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2aia s ASN 23 N 0.37 6.46 0.54 1.61 3.84 -1.01 -4.87 114.94 121.87 2aia s ASN 23 Ca 0.00 1.66 0.37 0.00 0.21 0.00 0.00 52.86 55.11 2aia s ASN 23 Cb 0.00 -2.53 1.55 0.00 -0.55 0.00 0.00 41.25 39.72 2aia s ASN 23 CO 0.00 -1.18 1.78 -0.65 -2.79 0.00 0.00 177.10 174.26 2aia h PRO 24 N 10.35 0.02 -0.82 0.43 0.11 -1.95 -2.15 132.00 137.99 2aia h PRO 24 Ca -0.33 -0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.89 2aia h PRO 24 Cb 1.15 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 2aia h PRO 24 CO 1.00 0.01 0.53 0.77 -0.21 0.00 0.00 178.00 180.10 2aia h SER 25 N 0.02 0.64 0.74 -2.05 0.02 -1.93 -0.89 113.55 110.09 2aia h SER 25 Ca 0.60 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.58 2aia h SER 25 Cb 2.38 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.82 2aia h SER 25 CO -0.02 0.36 0.00 0.18 -1.14 0.00 0.00 176.83 176.21 2aia n LEU 26 N -4.52 0.43 -0.62 5.07 4.77 -0.81 -2.42 117.00 118.89 2aia n LEU 26 Ca 0.14 0.59 0.06 0.00 -0.03 0.00 0.00 56.01 56.78 2aia n LEU 26 Cb 0.38 -0.52 0.16 0.00 -2.33 0.00 0.00 43.42 41.11 2aia n LEU 26 CO 0.31 -0.39 0.63 0.54 -1.33 0.00 0.00 177.39 177.15 2aia n ARG 27 N -1.96 2.87 -3.99 3.23 3.00 -0.36 -4.29 116.66 115.16 2aia n ARG 27 Ca 0.03 -2.15 -0.29 0.00 -0.01 0.00 0.00 57.85 55.43 2aia n ARG 27 Cb 0.23 -1.35 -0.05 0.00 0.00 0.00 0.00 32.46 31.29 2aia n ARG 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2aia s THR 28 N -1.35 4.95 -0.28 0.55 2.01 -1.02 -4.71 115.64 115.78 2aia s THR 28 Ca 0.25 -0.70 -0.24 0.00 0.31 0.00 0.00 61.69 61.31 2aia s THR 28 Cb 0.15 -3.46 -0.00 0.00 0.01 0.00 0.00 72.50 69.20 2aia s THR 28 CO 0.13 0.03 0.79 -0.69 -0.69 0.00 0.00 174.62 174.20 2aia s VAL 29 N -1.58 4.82 0.52 3.82 1.01 -1.26 -3.35 120.40 124.38 2aia s VAL 29 Ca 0.32 1.30 -0.22 0.00 0.00 0.00 0.00 61.98 63.39 2aia s VAL 29 Cb -0.12 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 2aia s VAL 29 CO 0.25 -0.18 1.26 0.00 0.00 0.00 0.00 175.10 176.44 2aia s ALA 30 N 2.90 2.84 0.24 5.51 0.00 -0.31 -5.01 121.76 127.92 2aia s ALA 30 Ca 0.33 1.14 -0.27 0.00 0.00 0.00 0.00 51.96 53.15 2aia s ALA 30 Cb -0.15 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.41 2aia s ALA 30 CO 0.11 -1.07 0.88 -2.00 0.00 0.00 0.00 175.76 173.68 2aia s GLU 31 N -2.88 4.67 0.59 0.00 2.56 -0.71 -4.65 118.70 118.27 2aia s GLU 31 Ca 0.69 1.32 -0.18 0.00 0.00 0.00 0.00 54.97 56.80 2aia s GLU 31 Cb -0.34 -3.14 -0.04 0.00 2.00 0.00 0.00 34.13 32.61 2aia s GLU 31 CO 0.41 0.47 1.14 -1.21 -0.56 0.00 0.00 175.26 175.51 2aia s GLU 32 N -1.42 3.12 0.25 4.30 2.02 -1.26 -0.98 118.70 124.73 2aia s GLU 32 Ca 0.42 1.59 -0.06 0.00 0.02 0.00 0.00 54.97 56.94 2aia s GLU 32 Cb -0.23 -1.98 -0.06 0.00 0.10 0.00 0.00 34.13 31.97 2aia s GLU 32 CO 0.28 -1.03 0.53 0.14 0.02 0.00 0.00 175.26 175.19 2aia s VAL 33 N -1.89 5.02 0.19 2.63 -7.23 -1.26 -4.83 120.40 113.03 2aia s VAL 33 Ca 0.72 0.15 0.05 0.00 -1.81 0.00 0.00 61.98 61.09 2aia s VAL 33 Cb -0.24 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 32.97 2aia s VAL 33 CO 0.32 -0.21 0.18 0.42 -0.31 0.00 0.00 175.10 175.50 2aia s THR 34 N -1.96 4.60 -0.01 5.32 -4.23 -1.26 -4.95 115.64 113.14 2aia s THR 34 Ca 0.44 -1.13 0.04 0.00 -1.18 0.00 0.00 61.69 59.86 2aia s THR 34 Cb -0.11 -3.40 -0.03 0.00 1.34 0.00 0.00 72.50 70.30 2aia s THR 34 CO 0.27 -0.19 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.69 2aia s PHE 35 N -1.87 2.77 0.62 3.99 0.40 -1.26 -3.50 117.98 119.13 2aia s PHE 35 Ca 0.32 -0.11 -0.17 0.00 -0.60 0.00 0.00 56.93 56.37 2aia s PHE 35 Cb -0.09 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 41.82 2aia s PHE 35 CO 0.25 0.29 1.13 -1.25 0.70 0.00 0.00 175.22 176.34 2aia s PRO 36 N -1.13 2.94 0.54 0.24 0.04 -1.26 -5.14 135.00 131.23 2aia s PRO 36 Ca 0.14 1.54 -0.18 0.00 0.04 0.00 0.00 61.00 62.54 2aia s PRO 36 Cb -0.11 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 2aia s PRO 36 CO 0.04 -1.17 1.07 -0.51 0.04 0.00 0.00 177.00 176.47 2aia s LEU 37 N -4.46 3.68 0.68 -3.56 1.43 -1.23 -5.04 118.68 110.19 2aia s LEU 37 Ca 0.71 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 55.64 2aia s LEU 37 Cb -0.23 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.43 2aia s LEU 37 CO 0.36 -1.04 1.08 -0.94 0.23 0.00 0.00 176.35 176.03 2aia s SER 38 N -2.24 5.64 0.27 2.29 1.04 -1.26 -4.92 113.70 114.51 2aia s SER 38 Ca 0.67 1.19 -0.04 0.00 0.48 0.00 0.00 55.95 58.25 2aia s SER 38 Cb -0.18 -2.05 0.35 0.00 0.10 0.00 0.00 66.02 64.24 2aia s SER 38 CO 0.28 -1.22 1.93 0.44 0.98 0.00 0.00 173.24 175.65 2aia h ASP 39 N -0.56 1.02 -0.66 7.02 3.32 -2.00 -2.15 116.42 122.41 2aia h ASP 39 Ca -0.45 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.53 2aia h ASP 39 Cb 1.24 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 2aia h ASP 39 CO 0.63 0.77 0.32 1.56 -1.72 0.00 0.00 179.24 180.80 2aia h GLN 40 N 1.19 0.98 -0.25 3.56 4.20 -1.97 0.17 115.11 122.98 2aia h GLN 40 Ca 0.31 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.80 2aia h GLN 40 Cb -0.08 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 2aia h GLN 40 CO -0.06 0.76 -0.23 0.93 -0.67 0.00 0.00 178.83 179.56 2aia h GLU 41 N 0.97 0.47 -0.07 1.46 5.08 -1.77 0.12 114.58 120.84 2aia h GLU 41 Ca 0.24 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2aia h GLU 41 Cb 0.11 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2aia h GLU 41 CO -0.03 0.67 -0.20 0.82 -1.00 0.00 0.00 179.01 179.27 2aia h ILE 42 N 0.42 1.43 -0.79 3.13 2.04 -1.01 -2.91 117.51 119.82 2aia h ILE 42 Ca 0.06 -1.58 0.01 0.00 1.00 0.00 0.00 64.86 64.35 2aia h ILE 42 Cb 0.64 2.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.97 2aia h ILE 42 CO 0.05 0.45 0.52 0.40 0.00 0.00 0.00 178.15 179.56 2aia h ILE 43 N -0.25 1.20 -0.48 -0.67 2.04 -0.84 -1.96 117.51 116.54 2aia h ILE 43 Ca -0.01 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.54 2aia h ILE 43 Cb 0.83 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 2aia h ILE 43 CO 0.04 0.19 0.20 0.25 0.00 0.00 0.00 178.15 178.84 2aia h LEU 44 N 1.07 0.24 -0.89 1.44 5.85 -0.77 0.49 115.31 122.73 2aia h LEU 44 Ca 0.29 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2aia h LEU 44 Cb -0.12 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2aia h LEU 44 CO -0.06 0.17 0.56 1.23 -0.34 0.00 0.00 178.44 180.00 2aia h GLY 45 N 0.39 1.27 1.26 3.75 0.00 -1.24 0.31 103.07 108.82 2aia h GLY 45 Ca 0.22 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.93 2aia h GLY 45 CO -0.20 0.49 -0.20 0.83 0.00 0.00 0.00 176.54 177.46 2aia h GLU 46 N 1.22 0.85 -0.61 4.80 5.08 -0.48 -2.02 114.58 123.41 2aia h GLU 46 Ca 0.32 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2aia h GLU 46 Cb -0.09 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2aia h GLU 46 CO -0.06 0.97 0.11 0.87 -1.00 0.00 0.00 179.01 179.90 2aia h LYS 47 N 0.74 1.00 -0.44 2.33 1.79 0.53 -0.94 116.57 121.59 2aia h LYS 47 Ca 0.10 -0.26 -0.00 0.00 -2.18 0.00 0.00 60.65 58.31 2aia h LYS 47 Cb 0.73 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 2aia h LYS 47 CO 0.06 0.94 0.26 0.52 -1.08 0.00 0.00 179.45 180.15 2aia h MET 48 N 0.91 0.60 -0.48 3.15 2.86 -0.73 -0.76 114.93 120.48 2aia h MET 48 Ca 0.19 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.68 2aia h MET 48 Cb 0.41 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2aia h MET 48 CO 0.01 0.44 -0.07 1.98 1.06 0.00 0.00 176.91 180.33 2aia h MET 49 N 0.58 0.86 -0.70 1.72 1.85 -1.21 -2.29 114.93 115.75 2aia h MET 49 Ca 0.16 -0.28 0.01 0.00 -0.61 0.00 0.00 59.70 58.98 2aia h MET 49 Cb 0.00 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 31.92 2aia h MET 49 CO -0.03 0.91 0.45 0.37 -0.40 0.00 0.00 176.91 178.21 2aia h GLN 50 N 0.78 0.89 -0.57 0.39 5.75 -0.75 -1.49 115.11 120.11 2aia h GLN 50 Ca 0.14 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.60 2aia h GLN 50 Cb 0.57 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 2aia h GLN 50 CO 0.04 0.59 0.36 0.35 -2.65 0.00 0.00 178.83 177.52 2aia h PHE 51 N 0.92 0.68 -0.73 3.99 3.57 -0.74 0.40 116.94 125.03 2aia h PHE 51 Ca 0.26 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 2aia h PHE 51 Cb -0.07 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.41 2aia h PHE 51 CO -0.03 0.41 0.37 -0.07 -2.23 0.00 0.00 178.31 176.76 2aia h LEU 52 N 0.73 0.94 -0.67 0.59 3.38 -0.85 0.29 115.31 119.71 2aia h LEU 52 Ca 0.22 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2aia h LEU 52 Cb -0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2aia h LEU 52 CO -0.08 0.79 0.01 0.11 0.09 0.00 0.00 178.44 179.36 2aia h LYS 53 N 1.02 1.04 -0.54 1.13 1.57 -0.88 -1.97 116.57 117.93 2aia h LYS 53 Ca 0.25 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 2aia h LYS 53 Cb 0.09 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2aia h LYS 53 CO -0.04 1.01 -0.01 0.45 -0.57 0.00 0.00 179.45 180.30 2aia h HIS 54 N 0.95 1.01 0.00 -1.35 3.86 -0.32 -2.50 115.15 116.79 2aia h HIS 54 Ca 0.17 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 2aia h HIS 54 Cb 0.54 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 2aia h HIS 54 CO 0.04 0.91 -0.08 0.66 0.86 0.00 0.00 177.93 180.31 2aia h SER 55 N 0.86 0.00 -0.53 2.45 4.64 -0.07 -2.51 113.55 118.39 2aia h SER 55 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2aia h SER 55 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2aia h SER 55 CO 0.03 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 176.07 2aia n GLN 56 N -3.27 2.53 -3.70 4.77 6.02 -0.77 -4.05 117.38 118.91 2aia n GLN 56 Ca -0.00 -2.35 -0.38 0.00 -0.01 0.00 0.00 57.00 54.26 2aia n GLN 56 Cb 0.30 -1.52 -0.12 0.00 1.02 0.00 0.00 30.24 29.92 2aia n GLN 56 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2aia s ASP 57 N -1.25 5.37 0.08 1.08 2.15 -0.97 -5.02 116.67 118.11 2aia s ASP 57 Ca 0.42 -0.56 -0.16 0.00 0.43 0.00 0.00 52.55 52.69 2aia s ASP 57 Cb 0.23 -1.95 -0.04 0.00 -0.30 0.00 0.00 42.92 40.86 2aia s ASP 57 CO 0.32 -0.18 1.27 -0.65 -0.17 0.00 0.00 175.17 175.76 2aia h PRO 58 N 8.30 -0.04 -0.30 4.34 0.11 -1.88 0.59 132.00 143.12 2aia h PRO 58 Ca -0.32 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.79 2aia h PRO 58 Cb 1.14 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2aia h PRO 58 CO 0.61 -0.02 0.19 -0.24 -0.21 0.00 0.00 178.00 178.33 2aia h VAL 59 N -0.04 1.06 -0.22 3.15 3.04 -1.95 -1.67 116.25 119.63 2aia h VAL 59 Ca 0.07 -0.13 -0.01 0.00 -1.01 0.00 0.00 66.70 65.62 2aia h VAL 59 Cb 0.22 0.64 -0.01 0.00 -2.01 0.00 0.00 31.29 30.13 2aia h VAL 59 CO -0.44 0.07 0.10 -0.03 -1.01 0.00 0.00 177.57 176.26 2aia h MET 60 N 0.39 0.32 -0.75 4.17 -1.53 -1.69 -1.10 114.93 114.74 2aia h MET 60 Ca 0.11 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.31 2aia h MET 60 Cb -0.03 -0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 30.93 2aia h MET 60 CO -0.03 0.35 0.43 0.00 0.14 0.00 0.00 176.91 177.80 2aia h ALA 61 N 0.95 1.35 0.38 0.39 0.00 0.39 -1.39 119.26 121.33 2aia h ALA 61 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2aia h ALA 61 Cb 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2aia h ALA 61 CO -0.01 0.55 -0.18 1.49 0.00 0.00 0.00 179.25 181.10 2aia h GLU 62 N 1.04 -0.49 -0.67 0.00 4.22 -1.07 0.17 114.58 117.78 2aia h GLU 62 Ca 0.27 0.03 0.12 0.00 0.08 0.00 0.00 59.36 59.86 2aia h GLU 62 Cb -0.01 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.26 2aia h GLU 62 CO -0.05 -0.20 0.21 0.87 -2.18 0.00 0.00 179.01 177.66 2aia h LYS 63 N -0.75 0.34 -0.02 1.92 1.57 -0.98 -1.97 116.57 116.70 2aia h LYS 63 Ca -0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2aia h LYS 63 Cb 0.51 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2aia h LYS 63 CO 0.09 0.23 -0.05 -1.33 -0.57 0.00 0.00 179.45 177.82 2aia n MET 64 N -5.06 1.60 -3.46 3.15 2.81 -0.54 -4.95 117.12 110.66 2aia n MET 64 Ca 0.11 -0.99 -0.19 0.00 -1.81 0.00 0.00 57.70 54.83 2aia n MET 64 Cb 0.36 -1.48 0.09 0.00 -0.71 0.00 0.00 33.22 31.48 2aia n MET 64 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2aia n GLY 65 N 1.22 -0.40 3.89 3.03 0.00 0.03 -4.70 105.19 108.26 2aia n GLY 65 Ca 0.17 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 2aia n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aia s LEU 66 N -6.57 4.37 0.03 0.99 1.02 0.40 -4.69 118.68 114.23 2aia s LEU 66 Ca 0.16 0.48 -0.19 0.00 0.02 0.00 0.00 54.13 54.60 2aia s LEU 66 Cb -0.07 -2.60 -0.06 0.00 0.02 0.00 0.00 46.19 43.47 2aia s LEU 66 CO 0.72 0.27 0.56 -0.13 0.02 0.00 0.00 176.35 177.79 2aia s ARG 67 N -1.76 4.22 0.25 1.70 0.52 -1.26 -4.77 118.95 117.85 2aia s ARG 67 Ca 0.26 0.70 -0.30 0.00 -0.52 0.00 0.00 55.73 55.87 2aia s ARG 67 Cb -0.13 -3.28 -0.10 0.00 0.52 0.00 0.00 34.95 31.96 2aia s ARG 67 CO 0.16 0.54 1.48 0.20 0.02 0.00 0.00 175.30 177.70 2aia s GLY 68 N -0.74 2.22 0.02 -3.53 0.00 -1.26 -4.80 107.32 99.24 2aia s GLY 68 Ca 0.29 1.38 -0.01 0.00 0.00 0.00 0.00 44.72 46.39 2aia s GLY 68 CO 0.18 2.36 -0.02 -0.32 0.00 0.00 0.00 173.10 175.30 2aia s GLY 69 N 0.45 0.22 0.00 0.20 0.00 -1.26 -5.02 107.32 101.90 2aia s GLY 69 Ca 0.61 -0.54 0.09 0.00 0.00 0.00 0.00 44.72 44.89 2aia s GLY 69 CO 0.43 -0.61 0.78 3.33 0.00 0.00 0.00 173.10 177.04 2aia n VAL 70 N 1.62 0.00 -3.47 1.40 0.24 -1.26 -4.74 118.33 112.13 2aia n VAL 70 Ca -0.24 -0.49 -0.11 0.00 -2.04 0.00 0.00 64.34 61.46 2aia n VAL 70 Cb 0.55 1.19 -0.02 0.00 -1.47 0.00 0.00 33.84 34.09 2aia n VAL 70 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2aia s GLY 71 N -0.81 -0.54 -0.23 7.63 0.00 -1.26 -0.58 107.32 111.53 2aia s GLY 71 Ca 0.11 0.82 -0.23 0.00 0.00 0.00 0.00 44.72 45.41 2aia s GLY 71 CO 0.12 0.32 0.65 -2.27 0.00 0.00 0.00 173.10 171.92 2aia s LEU 72 N -2.47 -0.48 0.02 0.66 2.96 -0.25 -5.00 118.68 114.12 2aia s LEU 72 Ca 0.02 1.26 0.09 0.00 -0.22 0.00 0.00 54.13 55.28 2aia s LEU 72 Cb -0.01 2.24 -0.03 0.00 0.50 0.00 0.00 46.19 48.90 2aia s LEU 72 CO -0.09 -0.25 -0.26 0.00 -1.32 0.00 0.00 176.35 174.43 2aia s ALA 73 N 0.23 2.19 0.34 5.97 0.00 -1.26 -0.43 121.76 128.80 2aia s ALA 73 Ca -0.01 -1.21 0.11 0.00 0.00 0.00 0.00 51.96 50.85 2aia s ALA 73 Cb -0.04 -0.49 0.89 0.00 0.00 0.00 0.00 23.12 23.47 2aia s ALA 73 CO 0.01 0.52 1.77 0.00 0.00 0.00 0.00 175.76 178.07 2aia h ALA 74 N 5.02 1.88 -0.36 0.00 0.00 -1.45 -0.51 119.26 123.84 2aia h ALA 74 Ca -0.45 0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.64 2aia h ALA 74 Cb 1.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2aia h ALA 74 CO 0.45 -0.27 0.29 -1.35 0.00 0.00 0.00 179.25 178.37 2aia h PRO 75 N 0.61 0.00 0.00 0.00 0.11 -1.57 0.30 132.00 131.45 2aia h PRO 75 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 2aia h PRO 75 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2aia h PRO 75 CO -0.36 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 179.39 2aia h GLN 76 N 0.00 0.00 -0.51 1.05 4.20 -1.37 -0.36 115.11 118.12 2aia h GLN 76 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2aia h GLN 76 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2aia h GLN 76 CO -0.00 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 2aia n LEU 77 N -2.77 4.91 -2.07 1.46 4.77 0.10 -0.62 117.00 122.77 2aia n LEU 77 Ca 0.00 -2.78 -0.18 0.00 -0.03 0.00 0.00 56.01 53.03 2aia n LEU 77 Cb 0.22 -0.60 -0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2aia n LEU 77 CO 0.22 0.70 -0.19 -0.67 -1.33 0.00 0.00 177.39 176.12 2aia n ASP 78 N 0.48 -5.15 -4.06 -1.43 2.03 -0.14 -4.83 116.55 103.44 2aia n ASP 78 Ca 0.25 -0.05 -0.32 0.00 0.52 0.00 0.00 54.79 55.19 2aia n ASP 78 Cb 1.01 -4.19 -0.15 0.00 -0.72 0.00 0.00 41.12 37.07 2aia n ASP 78 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2aia s ILE 79 N -2.90 2.23 -1.52 5.18 1.01 -0.87 -4.86 121.20 119.47 2aia s ILE 79 Ca 0.04 -1.81 -0.13 0.00 0.00 0.00 0.00 60.65 58.75 2aia s ILE 79 Cb -0.02 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 40.05 2aia s ILE 79 CO 0.05 -0.18 2.48 -0.24 0.00 0.00 0.00 174.94 177.06 2aia n SER 80 N 4.39 5.60 -4.14 3.58 2.88 -1.26 -1.82 113.62 122.84 2aia n SER 80 Ca -0.09 -2.75 -0.21 0.00 -1.33 0.00 0.00 58.87 54.49 2aia n SER 80 Cb 0.42 -1.62 -0.14 0.00 -0.75 0.00 0.00 64.21 62.12 2aia n SER 80 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2aia s LYS 81 N 2.81 1.02 -1.37 -1.46 1.02 -1.26 -1.74 119.74 118.75 2aia s LYS 81 Ca 0.55 -0.71 -0.16 0.00 0.02 0.00 0.00 55.97 55.67 2aia s LYS 81 Cb 0.15 -1.02 0.05 0.00 -0.52 0.00 0.00 37.83 36.49 2aia s LYS 81 CO -0.08 0.26 2.00 0.54 -0.92 0.00 0.00 175.35 177.15 2aia n ARG 82 N 2.09 2.98 -4.20 1.68 1.74 -0.15 -4.42 116.66 116.38 2aia n ARG 82 Ca -0.17 -2.90 -0.20 0.00 -0.77 0.00 0.00 57.85 53.81 2aia n ARG 82 Cb 0.55 -3.39 -0.16 0.00 -1.02 0.00 0.00 32.46 28.44 2aia n ARG 82 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2aia s ILE 83 N 3.79 0.56 0.06 0.55 1.01 -1.26 -0.64 121.20 125.26 2aia s ILE 83 Ca 0.51 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.99 2aia s ILE 83 Cb 0.09 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 2aia s ILE 83 CO -0.01 0.22 -0.04 0.27 0.00 0.00 0.00 174.94 175.38 2aia s ILE 84 N 0.72 0.36 -0.03 2.92 -4.36 -0.37 -1.39 121.20 119.05 2aia s ILE 84 Ca -0.10 -1.64 0.03 0.00 -0.26 0.00 0.00 60.65 58.69 2aia s ILE 84 Cb -0.13 -1.29 -0.00 0.00 1.25 0.00 0.00 42.46 42.29 2aia s ILE 84 CO 0.00 -0.84 -0.12 0.00 0.24 0.00 0.00 174.94 174.23 2aia s ALA 85 N -3.24 1.09 -0.03 2.27 0.00 0.43 -0.32 121.76 121.96 2aia s ALA 85 Ca 0.03 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.53 2aia s ALA 85 Cb 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.80 2aia s ALA 85 CO -0.06 0.21 -0.10 0.14 0.00 0.00 0.00 175.76 175.94 2aia s VAL 86 N 0.02 0.88 -0.32 0.00 -7.23 0.26 -1.09 120.40 112.91 2aia s VAL 86 Ca -0.01 -0.41 -0.01 0.00 -1.81 0.00 0.00 61.98 59.74 2aia s VAL 86 Cb -0.08 -0.78 0.13 0.00 0.56 0.00 0.00 36.38 36.21 2aia s VAL 86 CO 0.01 0.27 0.25 -0.22 -0.31 0.00 0.00 175.10 175.10 2aia s LEU 87 N 0.19 0.29 -0.28 1.32 2.96 0.26 -1.28 118.68 122.15 2aia s LEU 87 Ca -0.04 -1.41 -0.09 0.00 -0.22 0.00 0.00 54.13 52.38 2aia s LEU 87 Cb -0.09 0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.65 2aia s LEU 87 CO 0.01 -0.36 0.11 -0.69 -1.32 0.00 0.00 176.35 174.10 2aia s VAL 88 N 1.79 4.51 0.53 1.68 1.01 0.74 -4.47 120.40 126.20 2aia s VAL 88 Ca 0.13 -0.25 -0.20 0.00 0.00 0.00 0.00 61.98 61.66 2aia s VAL 88 Cb -0.17 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 2aia s VAL 88 CO -0.20 0.22 1.16 -2.84 0.00 0.00 0.00 175.10 173.44 2aia s PRO 89 N 1.63 3.38 0.00 2.72 0.02 -1.26 0.15 135.00 141.63 2aia s PRO 89 Ca 0.06 1.70 0.00 0.00 0.02 0.00 0.00 61.00 62.77 2aia s PRO 89 Cb -0.16 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.27 2aia s PRO 89 CO 0.05 -0.85 0.00 0.09 -0.33 0.00 0.00 177.00 175.97 2aia n ASN 90 N -1.16 0.00 0.00 2.53 3.02 -1.26 -4.29 115.26 114.09 2aia n ASN 90 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2aia n ASN 90 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 2aia n ASN 90 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2aia n ALA 101 N -1.15 0.00 -3.29 5.41 0.00 -1.26 -4.96 120.51 115.26 2aia n ALA 101 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2aia n ALA 101 Cb 0.00 0.45 -0.15 0.00 0.00 0.00 0.00 19.45 19.75 2aia n ALA 101 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2aia s TYR 102 N -2.88 0.19 0.15 0.00 1.51 -1.26 -5.02 117.35 110.04 2aia s TYR 102 Ca 0.00 0.01 -0.02 0.00 -1.01 0.00 0.00 57.07 56.05 2aia s TYR 102 Cb 0.00 -0.23 -0.04 0.00 -0.11 0.00 0.00 41.96 41.58 2aia s TYR 102 CO 0.00 -0.06 1.35 0.22 -1.11 0.00 0.00 175.55 175.95 2aia h ASP 103 N 6.69 0.43 -2.97 2.29 1.82 0.12 -3.45 116.42 121.36 2aia h ASP 103 Ca -0.35 -0.33 -0.09 0.00 -0.39 0.00 0.00 57.03 55.87 2aia h ASP 103 Cb 1.17 -0.13 -0.26 0.00 0.68 0.00 0.00 39.33 40.79 2aia h ASP 103 CO 0.49 1.13 -0.27 -0.22 -1.61 0.00 0.00 179.24 178.76 2aia s LEU 104 N -7.65 -0.39 -0.15 2.28 2.96 -0.99 -4.98 118.68 109.77 2aia s LEU 104 Ca -0.05 1.02 -0.02 0.00 -0.22 0.00 0.00 54.13 54.87 2aia s LEU 104 Cb 0.09 1.52 0.05 0.00 0.50 0.00 0.00 46.19 48.35 2aia s LEU 104 CO 0.85 -0.21 0.02 -0.70 -1.32 0.00 0.00 176.35 174.99 2aia s GLU 105 N 1.80 0.70 -0.19 1.98 2.12 -1.26 -0.18 118.70 123.67 2aia s GLU 105 Ca -0.07 -0.24 -0.25 0.00 0.36 0.00 0.00 54.97 54.77 2aia s GLU 105 Cb -0.09 -1.70 0.06 0.00 0.26 0.00 0.00 34.13 32.66 2aia s GLU 105 CO -0.14 -0.50 0.66 0.00 -0.54 0.00 0.00 175.26 174.73 2aia s ALA 106 N 1.89 -1.65 -0.24 6.30 0.00 -0.40 -5.01 121.76 122.65 2aia s ALA 106 Ca 0.01 1.66 -0.03 0.00 0.00 0.00 0.00 51.96 53.60 2aia s ALA 106 Cb -0.15 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.23 2aia s ALA 106 CO -0.07 -0.33 -0.03 0.42 0.00 0.00 0.00 175.76 175.75 2aia s ILE 107 N -0.14 3.26 -0.11 0.00 1.01 -1.26 -0.58 121.20 123.38 2aia s ILE 107 Ca -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.90 2aia s ILE 107 Cb -0.03 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 2aia s ILE 107 CO 0.04 0.30 -0.12 -0.04 0.00 0.00 0.00 174.94 175.11 2aia s MET 108 N 1.42 3.22 -0.14 2.79 -1.94 0.57 -4.71 119.30 120.51 2aia s MET 108 Ca 0.03 -0.66 -0.04 0.00 -1.71 0.00 0.00 55.69 53.32 2aia s MET 108 Cb -0.15 -2.61 -0.03 0.00 2.01 0.00 0.00 34.83 34.04 2aia s MET 108 CO -0.03 0.32 -0.02 0.71 -0.01 0.00 0.00 175.02 175.98 2aia s TYR 109 N 0.09 3.07 -1.39 -0.03 1.51 -0.27 -1.24 117.35 119.10 2aia s TYR 109 Ca -0.05 -0.15 -0.00 0.00 -1.01 0.00 0.00 57.07 55.85 2aia s TYR 109 Cb -0.15 -1.93 0.00 0.00 -0.11 0.00 0.00 41.96 39.78 2aia s TYR 109 CO 0.04 0.09 0.50 0.09 -1.11 0.00 0.00 175.55 175.16 2aia n ASN 110 N 3.22 -0.59 -4.77 2.29 3.02 0.19 -1.19 115.26 117.42 2aia n ASN 110 Ca -0.17 -0.96 -0.37 0.00 -0.03 0.00 0.00 54.58 53.05 2aia n ASN 110 Cb 0.53 -3.30 -0.00 0.00 -0.61 0.00 0.00 39.78 36.39 2aia n ASN 110 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2aia s PRO 111 N -6.42 3.68 -0.13 3.52 0.04 -1.26 -4.53 135.00 129.89 2aia s PRO 111 Ca 0.02 1.79 -0.10 0.00 0.04 0.00 0.00 61.00 62.75 2aia s PRO 111 Cb -0.01 -2.36 0.04 0.00 0.04 0.00 0.00 34.50 32.21 2aia s PRO 111 CO 0.87 -0.63 0.34 0.21 0.04 0.00 0.00 177.00 177.83 2aia s LYS 112 N -2.76 0.37 -0.31 4.56 2.20 0.65 -4.99 119.74 119.46 2aia s LYS 112 Ca 0.65 0.53 -0.26 0.00 -0.36 0.00 0.00 55.97 56.53 2aia s LYS 112 Cb -0.29 0.11 0.01 0.00 -1.51 0.00 0.00 37.83 36.15 2aia s LYS 112 CO 0.35 -0.08 0.93 0.42 -0.36 0.00 0.00 175.35 176.61 2aia s ILE 113 N 0.53 4.66 -0.56 5.43 1.01 -1.26 -0.69 121.20 130.31 2aia s ILE 113 Ca -0.03 1.49 0.21 0.00 0.00 0.00 0.00 60.65 62.32 2aia s ILE 113 Cb -0.04 -4.28 -0.27 0.00 0.01 0.00 0.00 42.46 37.88 2aia s ILE 113 CO -0.03 -0.35 0.70 1.33 0.00 0.00 0.00 174.94 176.59 2aia n VAL 114 N 5.67 0.00 -3.56 2.92 0.24 0.15 -4.97 118.33 118.77 2aia n VAL 114 Ca 0.08 -0.22 -0.17 0.00 -2.04 0.00 0.00 64.34 61.99 2aia n VAL 114 Cb 0.47 0.57 -0.06 0.00 -1.47 0.00 0.00 33.84 33.35 2aia n VAL 114 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2aia s SER 115 N -3.61 -0.59 -0.01 -1.34 0.15 -1.19 -4.98 113.70 102.13 2aia s SER 115 Ca 0.01 0.65 -0.16 0.00 0.70 0.00 0.00 55.95 57.15 2aia s SER 115 Cb 0.15 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 65.02 2aia s SER 115 CO 0.87 -0.57 0.34 -1.38 1.20 0.00 0.00 173.24 173.69 2aia s HIS 116 N -1.15 -0.21 0.67 3.44 -0.00 -1.26 -0.79 115.29 116.00 2aia s HIS 116 Ca -0.11 0.30 -0.14 0.00 -0.00 0.00 0.00 55.06 55.11 2aia s HIS 116 Cb -0.01 0.12 0.00 0.00 -0.00 0.00 0.00 32.58 32.70 2aia s HIS 116 CO 0.09 -0.42 1.09 -1.54 -0.00 0.00 0.00 174.74 173.96 2aia s SER 117 N -1.40 5.17 0.14 7.38 1.04 -0.65 -4.95 113.70 120.43 2aia s SER 117 Ca -0.12 1.87 -0.07 0.00 0.48 0.00 0.00 55.95 58.11 2aia s SER 117 Cb -0.04 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 2aia s SER 117 CO 0.04 -1.59 1.39 0.58 0.98 0.00 0.00 173.24 174.64 2aia h VAL 118 N -0.22 1.32 -3.95 5.02 2.07 -1.99 -3.43 116.25 115.07 2aia h VAL 118 Ca -0.46 -2.00 -0.54 0.00 0.82 0.00 0.00 66.70 64.53 2aia h VAL 118 Cb 1.23 1.98 0.10 0.00 -1.52 0.00 0.00 31.29 33.08 2aia h VAL 118 CO 0.55 0.62 0.72 -1.58 0.02 0.00 0.00 177.57 177.89 2aia s GLN 119 N -3.76 3.99 0.39 1.57 0.74 -1.26 -4.93 119.66 116.40 2aia s GLN 119 Ca -0.08 2.43 0.08 0.00 0.05 0.00 0.00 55.36 57.83 2aia s GLN 119 Cb 0.10 -2.86 -0.02 0.00 1.10 0.00 0.00 33.01 31.33 2aia s GLN 119 CO 0.87 -0.57 0.38 -0.51 -0.55 0.00 0.00 175.29 174.91 2aia s ASP 120 N -0.38 5.26 0.07 6.67 1.01 -0.31 -1.51 116.67 127.48 2aia s ASP 120 Ca 0.55 -0.59 -0.13 0.00 0.71 0.00 0.00 52.55 53.09 2aia s ASP 120 Cb -0.44 -0.75 0.02 0.00 1.01 0.00 0.00 42.92 42.77 2aia s ASP 120 CO 0.58 -0.56 0.31 0.00 0.21 0.00 0.00 175.17 175.71 2aia s ALA 121 N -2.39 -0.66 -0.17 5.23 0.00 0.34 -1.04 121.76 123.07 2aia s ALA 121 Ca 0.47 -0.11 -0.22 0.00 0.00 0.00 0.00 51.96 52.10 2aia s ALA 121 Cb -0.05 0.43 0.06 0.00 0.00 0.00 0.00 23.12 23.56 2aia s ALA 121 CO 0.28 -0.48 0.57 0.00 0.00 0.00 0.00 175.76 176.13 2aia s ALA 122 N -3.07 -1.43 0.15 0.00 0.00 -0.22 -1.12 121.76 116.07 2aia s ALA 122 Ca -0.01 1.45 -0.30 0.00 0.00 0.00 0.00 51.96 53.10 2aia s ALA 122 Cb 0.01 -0.69 -0.07 0.00 0.00 0.00 0.00 23.12 22.37 2aia s ALA 122 CO -0.07 -0.29 1.20 -0.51 0.00 0.00 0.00 175.76 176.09 2aia s LEU 123 N -0.12 4.43 0.11 0.00 1.43 -1.26 -0.17 118.68 123.10 2aia s LEU 123 Ca -0.03 2.17 0.12 0.00 -1.03 0.00 0.00 54.13 55.36 2aia s LEU 123 Cb -0.03 -3.60 0.58 0.00 0.03 0.00 0.00 46.19 43.17 2aia s LEU 123 CO 0.03 -0.40 1.38 0.61 0.23 0.00 0.00 176.35 178.20 2aia n GLY 124 N 2.51 -0.84 0.74 -3.19 0.00 0.94 -1.36 105.19 103.99 2aia n GLY 124 Ca 0.06 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.22 2aia n GLY 124 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2aia n GLU 125 N -1.79 1.57 0.00 1.61 1.02 -1.26 -5.06 120.64 116.73 2aia n GLU 125 Ca 0.01 -1.61 0.00 0.00 -0.02 0.00 0.00 57.16 55.54 2aia n GLU 125 Cb 0.09 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 2aia n GLU 125 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2aia n GLY 126 N 1.04 -1.84 3.25 0.62 0.00 -0.47 -4.93 105.19 102.87 2aia n GLY 126 Ca 0.11 -1.37 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 2aia n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aia s GLU 128 N 0.00 1.09 0.23 1.61 2.02 -1.26 -4.78 118.70 117.62 2aia s GLU 128 Ca 0.00 -1.50 0.02 0.00 0.02 0.00 0.00 54.97 53.51 2aia s GLU 128 Cb 0.00 -0.46 -0.05 0.00 0.10 0.00 0.00 34.13 33.72 2aia s GLU 128 CO 0.00 -0.03 0.05 0.20 0.02 0.00 0.00 175.26 175.51 2aia s GLY 129 N -3.18 1.58 -0.02 -1.39 0.00 -1.26 -4.70 107.32 98.36 2aia s GLY 129 Ca 0.20 -1.79 -0.02 0.00 0.00 0.00 0.00 44.72 43.11 2aia s GLY 129 CO 0.02 -1.60 0.06 0.00 0.00 0.00 0.00 173.10 171.59 2aia h LEU 131 N 5.76 0.00 -1.20 0.00 3.38 -1.95 -1.14 115.31 120.16 2aia h LEU 131 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2aia h LEU 131 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2aia h LEU 131 CO 0.46 0.13 0.00 -1.20 0.09 0.00 0.00 178.44 177.92 2aia n SER 132 N -3.75 1.83 -4.08 -0.43 7.64 -1.26 -4.72 113.62 108.86 2aia n SER 132 Ca -0.02 -1.65 -0.33 0.00 1.01 0.00 0.00 58.87 57.88 2aia n SER 132 Cb 0.24 -0.05 -0.14 0.00 -1.01 0.00 0.00 64.21 63.25 2aia n SER 132 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2aia s VAL 133 N -1.90 2.45 -1.25 0.44 1.01 -0.43 -1.67 120.40 119.05 2aia s VAL 133 Ca 0.35 -1.85 -0.07 0.00 0.00 0.00 0.00 61.98 60.41 2aia s VAL 133 Cb 0.20 -2.57 0.19 0.00 0.00 0.00 0.00 36.38 34.19 2aia s VAL 133 CO 0.31 -0.28 1.92 0.47 0.00 0.00 0.00 175.10 177.51 2aia n ASP 134 N 4.42 5.98 0.00 3.32 8.00 -1.26 -4.50 116.55 132.51 2aia n ASP 134 Ca -0.07 -3.19 0.00 0.00 0.71 0.00 0.00 54.79 52.24 2aia n ASP 134 Cb 0.42 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 2aia n ASP 134 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2aia n ARG 135 N 2.87 0.00 -3.73 -1.24 1.85 -1.26 -5.14 116.66 110.01 2aia n ARG 135 Ca 0.42 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.91 2aia n ARG 135 Cb 0.33 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.63 2aia n ARG 135 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2aia s ASN 136 N 0.00 5.77 -0.40 2.89 0.01 -1.26 -4.88 114.94 117.07 2aia s ASN 136 Ca 0.00 0.00 0.01 0.00 -0.71 0.00 0.00 52.86 52.16 2aia s ASN 136 Cb 0.00 -2.04 0.11 0.00 0.41 0.00 0.00 41.25 39.73 2aia s ASN 136 CO 0.00 0.04 0.15 -0.69 -1.51 0.00 0.00 177.10 175.09 2aia s VAL 137 N 1.22 2.80 0.78 1.60 1.01 -1.26 -5.10 120.40 121.45 2aia s VAL 137 Ca 0.06 -2.35 -0.12 0.00 0.00 0.00 0.00 61.98 59.57 2aia s VAL 137 Cb -0.14 -2.97 0.07 0.00 0.00 0.00 0.00 36.38 33.33 2aia s VAL 137 CO 0.05 -0.67 1.13 -2.16 0.00 0.00 0.00 175.10 173.45 2aia s PRO 138 N 0.84 1.98 0.00 2.72 0.04 -1.26 -4.71 135.00 134.60 2aia s PRO 138 Ca 0.11 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.58 2aia s PRO 138 Cb -0.21 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2aia s PRO 138 CO -0.06 -1.89 0.00 0.41 0.04 0.00 0.00 177.00 175.50 2aia n GLY 139 N -0.39 3.32 3.60 0.56 0.00 -1.26 -4.97 105.19 106.06 2aia n GLY 139 Ca 0.11 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 2aia n GLY 139 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aia s TYR 140 N -2.25 3.23 -0.63 1.61 2.02 0.42 -4.24 117.35 117.52 2aia s TYR 140 Ca 0.00 0.59 -0.26 0.00 -0.37 0.00 0.00 57.07 57.03 2aia s TYR 140 Cb 0.00 -2.89 0.04 0.00 -0.40 0.00 0.00 41.96 38.71 2aia s TYR 140 CO 0.00 -0.41 1.10 0.08 -1.57 0.00 0.00 175.55 174.75 2aia s VAL 141 N 2.50 4.10 -0.24 0.71 1.01 -1.26 -4.21 120.40 123.01 2aia s VAL 141 Ca 0.24 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.31 2aia s VAL 141 Cb -0.15 -4.71 -0.01 0.00 0.00 0.00 0.00 36.38 31.50 2aia s VAL 141 CO 0.11 -1.43 1.35 -0.69 0.00 0.00 0.00 175.10 174.44 2aia s VAL 142 N 4.71 4.10 0.41 2.92 1.01 -0.59 -4.38 120.40 128.58 2aia s VAL 142 Ca 0.34 1.28 0.05 0.00 0.00 0.00 0.00 61.98 63.64 2aia s VAL 142 Cb -0.11 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2aia s VAL 142 CO 0.18 -0.33 0.18 -0.13 0.00 0.00 0.00 175.10 175.00 2aia s ARG 143 N 4.03 1.96 0.27 2.72 0.52 -0.27 -4.89 118.95 123.28 2aia s ARG 143 Ca 0.58 -2.20 -0.29 0.00 -0.52 0.00 0.00 55.73 53.31 2aia s ARG 143 Cb -0.20 -0.35 -0.09 0.00 0.52 0.00 0.00 34.95 34.83 2aia s ARG 143 CO 0.22 -0.57 0.99 -1.01 0.02 0.00 0.00 175.30 174.94 2aia s HIS 144 N -3.22 3.79 0.05 -0.53 3.76 -1.26 -0.50 115.29 117.39 2aia s HIS 144 Ca 0.26 1.83 -0.22 0.00 -0.15 0.00 0.00 55.06 56.78 2aia s HIS 144 Cb 0.01 -3.06 -0.14 0.00 1.11 0.00 0.00 32.58 30.51 2aia s HIS 144 CO 0.18 0.10 1.49 0.00 -0.85 0.00 0.00 174.74 175.66 2aia h ALA 145 N 3.81 0.15 -3.90 -1.40 0.00 -1.47 -3.39 119.26 113.06 2aia h ALA 145 Ca -0.46 -0.18 -0.50 0.00 0.00 0.00 0.00 54.91 53.78 2aia h ALA 145 Cb 1.20 -0.04 -0.25 0.00 0.00 0.00 0.00 17.79 18.70 2aia h ALA 145 CO 0.67 -0.17 -0.81 1.03 0.00 0.00 0.00 179.25 179.97 2aia s ARG 146 N -5.03 1.12 0.02 0.00 0.52 -1.26 -4.09 118.95 110.23 2aia s ARG 146 Ca -0.14 -0.80 -0.01 0.00 -0.52 0.00 0.00 55.73 54.25 2aia s ARG 146 Cb 0.05 -1.16 -0.02 0.00 0.52 0.00 0.00 34.95 34.34 2aia s ARG 146 CO 0.70 0.29 -0.01 0.14 0.02 0.00 0.00 175.30 176.45 2aia s VAL 147 N -0.79 0.12 -0.20 3.52 -7.23 -0.89 -1.63 120.40 113.29 2aia s VAL 147 Ca 0.04 -0.96 -0.04 0.00 -1.81 0.00 0.00 61.98 59.21 2aia s VAL 147 Cb -0.08 -0.39 -0.01 0.00 0.56 0.00 0.00 36.38 36.46 2aia s VAL 147 CO 0.01 -0.53 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.35 2aia s THR 148 N -1.67 3.54 -0.09 5.32 2.01 0.03 -0.85 115.64 123.92 2aia s THR 148 Ca -0.14 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.46 2aia s THR 148 Cb -0.08 -2.59 -0.00 0.00 0.01 0.00 0.00 72.50 69.83 2aia s THR 148 CO -0.02 0.44 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.42 2aia s VAL 149 N 1.19 2.09 -0.06 3.82 1.01 0.32 -0.67 120.40 128.09 2aia s VAL 149 Ca 0.02 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 2aia s VAL 149 Cb -0.14 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2aia s VAL 149 CO -0.00 0.56 0.12 -1.81 0.00 0.00 0.00 175.10 173.96 2aia s ASP 150 N 0.23 6.07 0.16 3.32 1.11 0.13 -1.05 116.67 126.64 2aia s ASP 150 Ca -0.16 0.33 -0.24 0.00 0.18 0.00 0.00 52.55 52.66 2aia s ASP 150 Cb -0.17 -1.88 0.06 0.00 1.07 0.00 0.00 42.92 42.00 2aia s ASP 150 CO 0.08 0.34 0.79 -0.72 1.18 0.00 0.00 175.17 176.84 2aia s TYR 151 N -1.11 -0.30 0.01 4.23 -0.85 -0.56 -0.25 117.35 118.52 2aia s TYR 151 Ca 0.19 0.01 0.05 0.00 -0.52 0.00 0.00 57.07 56.81 2aia s TYR 151 Cb -0.12 0.62 -0.03 0.00 0.38 0.00 0.00 41.96 42.81 2aia s TYR 151 CO 0.09 -0.89 -0.14 -0.06 -1.52 0.00 0.00 175.55 173.04 2aia s PHE 152 N -3.54 2.67 0.49 -3.49 0.40 -0.34 -0.31 117.98 113.86 2aia s PHE 152 Ca 0.07 -0.18 -0.02 0.00 -0.60 0.00 0.00 56.93 56.21 2aia s PHE 152 Cb -0.02 -1.53 0.10 0.00 0.51 0.00 0.00 43.02 42.07 2aia s PHE 152 CO -0.03 0.27 0.67 -0.40 0.70 0.00 0.00 175.22 176.43 2aia n ASP 153 N 1.70 0.76 0.25 1.36 5.68 -0.46 -1.11 116.55 124.72 2aia n ASP 153 Ca -0.16 -1.67 0.16 0.00 -0.50 0.00 0.00 54.79 52.62 2aia n ASP 153 Cb 0.52 -0.45 0.87 0.00 -1.14 0.00 0.00 41.12 40.92 2aia n ASP 153 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2aia h LYS 154 N 0.00 0.00 -0.14 0.11 2.10 -1.90 -1.39 116.57 115.35 2aia h LYS 154 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 2aia h LYS 154 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 2aia h LYS 154 CO 0.22 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.42 2aia n ASP 155 N -3.82 1.46 -0.00 7.07 8.00 -1.26 -4.72 116.55 123.27 2aia n ASP 155 Ca -0.00 -1.66 -0.00 0.00 0.71 0.00 0.00 54.79 53.83 2aia n ASP 155 Cb 0.22 -0.09 -0.00 0.00 -0.02 0.00 0.00 41.12 41.23 2aia n ASP 155 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aia n GLY 156 N 1.09 0.47 3.74 0.44 0.00 -0.52 -5.01 105.19 105.40 2aia n GLY 156 Ca 0.16 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 2aia n GLY 156 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aia s GLU 157 N -0.49 4.62 0.12 1.61 0.41 -1.26 -4.82 118.70 118.89 2aia s GLU 157 Ca 0.00 1.28 -0.22 0.00 -0.41 0.00 0.00 54.97 55.62 2aia s GLU 157 Cb 0.00 -3.35 -0.07 0.00 -1.78 0.00 0.00 34.13 28.92 2aia s GLU 157 CO 0.00 0.30 0.67 0.21 -0.49 0.00 0.00 175.26 175.95 2aia s LYS 158 N -0.23 4.36 0.02 1.61 2.20 -1.26 -1.35 119.74 125.08 2aia s LYS 158 Ca 0.42 0.92 0.05 0.00 -0.36 0.00 0.00 55.97 57.00 2aia s LYS 158 Cb -0.22 -3.22 -0.02 0.00 -1.51 0.00 0.00 37.83 32.86 2aia s LYS 158 CO 0.27 0.59 -0.14 -1.01 -0.36 0.00 0.00 175.35 174.71 2aia s HIS 159 N -1.16 1.22 -0.20 4.03 3.76 0.58 -4.98 115.29 118.54 2aia s HIS 159 Ca 0.33 -0.29 -0.02 0.00 -0.15 0.00 0.00 55.06 54.93 2aia s HIS 159 Cb -0.21 -0.76 0.06 0.00 1.11 0.00 0.00 32.58 32.78 2aia s HIS 159 CO 0.22 0.01 0.00 0.50 -0.85 0.00 0.00 174.74 174.62 2aia s ARG 160 N -0.74 1.01 0.21 1.40 3.52 -1.26 -1.50 118.95 121.60 2aia s ARG 160 Ca 0.03 -0.60 0.11 0.00 -0.13 0.00 0.00 55.73 55.15 2aia s ARG 160 Cb -0.07 -2.23 -0.05 0.00 -1.56 0.00 0.00 34.95 31.05 2aia s ARG 160 CO 0.00 -0.61 -0.21 0.96 -0.81 0.00 0.00 175.30 174.63 2aia s ILE 161 N 1.70 2.26 -0.13 4.11 -4.36 -0.22 -4.96 121.20 119.60 2aia s ILE 161 Ca -0.02 -2.13 0.01 0.00 -0.26 0.00 0.00 60.65 58.25 2aia s ILE 161 Cb -0.17 -2.12 -0.01 0.00 1.25 0.00 0.00 42.46 41.41 2aia s ILE 161 CO -0.07 -0.26 -0.15 -0.54 0.24 0.00 0.00 174.94 174.15 2aia s LYS 162 N -2.98 3.30 0.12 0.37 1.02 -1.26 -0.52 119.74 119.78 2aia s LYS 162 Ca 0.23 -0.73 0.10 0.00 0.02 0.00 0.00 55.97 55.59 2aia s LYS 162 Cb -0.06 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.64 2aia s LYS 162 CO 0.11 0.18 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.96 2aia s LEU 163 N 0.41 2.31 0.00 3.17 1.43 -0.03 -5.01 118.68 120.96 2aia s LEU 163 Ca -0.12 -0.73 0.02 0.00 -1.03 0.00 0.00 54.13 52.27 2aia s LEU 163 Cb -0.16 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 2aia s LEU 163 CO 0.06 0.14 0.38 2.29 0.23 0.00 0.00 176.35 179.44 2aia n LYS 164 N 0.96 0.55 0.00 1.70 2.85 -1.26 -2.10 118.16 120.85 2aia n LYS 164 Ca -0.18 -2.76 0.00 0.00 -1.05 0.00 0.00 58.31 54.32 2aia n LYS 164 Cb 0.53 2.49 0.00 0.00 -0.65 0.00 0.00 35.03 37.41 2aia n LYS 164 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2aia n GLY 165 N -0.55 2.38 0.22 2.58 0.00 -1.26 -1.99 105.19 106.57 2aia n GLY 165 Ca 0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 2aia n GLY 165 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2aia h TYR 166 N 0.00 0.71 -0.85 1.61 3.20 -1.99 -2.96 116.97 116.69 2aia h TYR 166 Ca 0.00 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.90 2aia h TYR 166 Cb 0.00 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 37.99 2aia h TYR 166 CO 0.00 0.56 0.52 -0.91 -1.64 0.00 0.00 178.16 176.70 2aia h ASN 167 N 0.66 0.81 -0.40 -2.11 2.35 -1.93 -1.01 115.58 113.95 2aia h ASN 167 Ca 0.17 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.96 2aia h ASN 167 Cb 0.12 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 2aia h ASN 167 CO -0.02 0.52 0.24 -1.28 -1.65 0.00 0.00 177.43 175.23 2aia h SER 168 N 0.94 0.39 -0.20 5.81 0.87 -1.26 -1.52 113.55 118.58 2aia h SER 168 Ca 0.37 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2aia h SER 168 Cb 0.19 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2aia h SER 168 CO -0.18 0.28 0.12 0.40 -0.53 0.00 0.00 176.83 176.92 2aia h ILE 169 N 0.49 1.10 -0.37 2.23 1.08 -1.19 -2.31 117.51 118.53 2aia h ILE 169 Ca 0.16 -0.25 0.01 0.00 -0.39 0.00 0.00 64.86 64.39 2aia h ILE 169 Cb 0.00 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 2aia h ILE 169 CO -0.07 0.09 0.23 0.58 -0.69 0.00 0.00 178.15 178.29 2aia h VAL 170 N 0.23 1.07 -0.56 1.67 2.07 -0.97 -1.34 116.25 118.42 2aia h VAL 170 Ca 0.07 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 2aia h VAL 170 Cb 0.05 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2aia h VAL 170 CO -0.01 0.09 0.02 0.58 0.02 0.00 0.00 177.57 178.26 2aia h VAL 171 N 0.47 1.26 -0.44 2.57 2.07 -1.23 -2.30 116.25 118.65 2aia h VAL 171 Ca 0.14 -1.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 2aia h VAL 171 Cb -0.03 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2aia h VAL 171 CO -0.05 0.38 -0.00 1.56 0.02 0.00 0.00 177.57 179.48 2aia h GLN 172 N 0.88 0.71 -0.48 1.57 4.20 -1.13 0.01 115.11 120.87 2aia h GLN 172 Ca 0.17 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2aia h GLN 172 Cb 0.49 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2aia h GLN 172 CO 0.02 0.73 0.24 1.25 -0.67 0.00 0.00 178.83 180.40 2aia h HIS 173 N 0.67 0.69 -0.32 2.96 2.76 -0.86 -0.14 115.15 120.91 2aia h HIS 173 Ca 0.13 -0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.10 2aia h HIS 173 Cb 0.42 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 2aia h HIS 173 CO 0.02 0.54 -0.49 0.93 -1.30 0.00 0.00 177.93 177.63 2aia h GLU 174 N 0.64 0.88 -0.20 5.26 4.39 -1.06 -2.80 114.58 121.70 2aia h GLU 174 Ca 0.17 -0.52 -0.04 0.00 0.34 0.00 0.00 59.36 59.30 2aia h GLU 174 Cb 0.10 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2aia h GLU 174 CO -0.02 1.17 -0.07 0.82 -1.16 0.00 0.00 179.01 179.74 2aia h ILE 175 N 0.69 1.17 -0.60 3.13 2.04 -0.82 -1.35 117.51 121.77 2aia h ILE 175 Ca 0.03 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 2aia h ILE 175 Cb 1.09 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 2aia h ILE 175 CO 0.11 0.23 0.36 0.44 0.00 0.00 0.00 178.15 179.29 2aia h ASP 176 N 0.29 0.71 -0.74 1.72 3.32 -0.76 -2.27 116.42 118.69 2aia h ASP 176 Ca 0.06 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2aia h ASP 176 Cb 0.32 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 2aia h ASP 176 CO 0.01 0.55 0.35 0.45 -1.72 0.00 0.00 179.24 178.88 2aia h HIS 177 N 0.82 1.09 0.00 4.55 3.86 -1.07 0.25 115.15 124.65 2aia h HIS 177 Ca 0.22 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2aia h HIS 177 Cb -0.03 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.10 2aia h HIS 177 CO 0.00 0.80 0.00 0.44 0.86 0.00 0.00 177.93 180.04 2aia n ILE 178 N -4.31 0.03 0.12 2.45 -5.35 -0.87 -2.39 119.36 109.04 2aia n ILE 178 Ca 0.07 0.01 0.04 0.00 -0.27 0.00 0.00 62.75 62.60 2aia n ILE 178 Cb 0.15 -0.56 0.06 0.00 -1.74 0.00 0.00 39.64 37.55 2aia n ILE 178 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2aia n ASN 179 N -1.08 2.03 -0.09 7.28 3.02 -0.70 -1.17 115.26 124.55 2aia n ASN 179 Ca 0.19 -1.61 -0.01 0.00 -0.03 0.00 0.00 54.58 53.12 2aia n ASN 179 Cb 0.13 -0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 39.23 2aia n ASN 179 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aia n GLY 180 N 0.29 0.43 3.66 7.41 0.00 -0.72 -4.60 105.19 111.66 2aia n GLY 180 Ca 0.06 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 2aia n GLY 180 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aia s ILE 181 N -2.04 4.34 0.09 -0.61 1.01 0.81 -4.50 121.20 120.30 2aia s ILE 181 Ca 0.00 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.45 2aia s ILE 181 Cb 0.00 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 2aia s ILE 181 CO 0.00 0.58 0.11 -0.04 0.00 0.00 0.00 174.94 175.59 2aia s MET 182 N -0.62 2.95 0.25 2.79 -1.94 -1.26 -3.64 119.30 117.83 2aia s MET 182 Ca 0.10 -0.69 -0.03 0.00 -1.71 0.00 0.00 55.69 53.36 2aia s MET 182 Cb -0.12 -2.75 0.46 0.00 2.01 0.00 0.00 34.83 34.43 2aia s MET 182 CO 0.02 0.56 1.77 0.27 -0.01 0.00 0.00 175.02 177.62 2aia h PHE 183 N 3.10 0.71 0.00 -0.03 -5.15 -1.96 -0.57 116.94 113.04 2aia h PHE 183 Ca -0.47 0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 2aia h PHE 183 Cb 1.17 -0.20 0.00 0.00 0.22 0.00 0.00 35.95 37.14 2aia h PHE 183 CO 0.60 0.19 0.00 2.48 -2.00 0.00 0.00 178.31 179.58 2aia n TYR 184 N -4.87 0.26 0.48 6.09 0.18 -1.26 -1.69 117.16 116.35 2aia n TYR 184 Ca 0.15 0.12 0.10 0.00 1.88 0.00 0.00 57.90 60.15 2aia n TYR 184 Cb 0.38 -0.69 0.43 0.00 -0.38 0.00 0.00 39.34 39.08 2aia n TYR 184 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 2aia n ASP 185 N -1.75 0.41 -0.83 9.48 8.00 -0.22 -2.43 116.55 129.22 2aia n ASP 185 Ca 0.01 0.59 0.07 0.00 0.71 0.00 0.00 54.79 56.18 2aia n ASP 185 Cb 0.11 -0.68 0.22 0.00 -0.02 0.00 0.00 41.12 40.74 2aia n ASP 185 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2aia n ARG 186 N -1.95 2.97 -3.79 -1.24 1.74 -0.68 -4.97 116.66 108.75 2aia n ARG 186 Ca 0.03 -2.49 -0.37 0.00 -0.77 0.00 0.00 57.85 54.25 2aia n ARG 186 Cb 0.23 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 30.01 2aia n ARG 186 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2aia s ILE 187 N -1.96 5.42 -0.25 0.55 1.01 -1.02 -1.54 121.20 123.42 2aia s ILE 187 Ca 0.34 0.31 -0.29 0.00 0.00 0.00 0.00 60.65 61.01 2aia s ILE 187 Cb 0.24 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 2aia s ILE 187 CO 0.13 0.58 1.87 0.21 0.00 0.00 0.00 174.94 177.73 2aia s ASN 188 N -0.75 5.93 0.10 3.58 3.84 -1.26 -4.89 114.94 121.49 2aia s ASN 188 Ca 0.15 1.62 -0.31 0.00 0.21 0.00 0.00 52.86 54.54 2aia s ASN 188 Cb -0.12 -2.52 -0.12 0.00 -0.55 0.00 0.00 41.25 37.93 2aia s ASN 188 CO 0.04 -1.62 1.61 -0.33 -2.79 0.00 0.00 177.10 174.01 2aia h GLU 189 N 12.76 -0.68 0.00 0.43 5.08 -1.95 -1.94 114.58 128.28 2aia h GLU 189 Ca -0.37 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2aia h GLU 189 Cb 1.19 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2aia h GLU 189 CO 1.00 -0.45 0.00 1.63 -1.00 0.00 0.00 179.01 180.19 2aia n LYS 190 N -5.46 0.00 -3.82 2.33 4.01 -1.26 -4.22 118.16 109.74 2aia n LYS 190 Ca -0.09 0.46 -0.35 0.00 -0.51 0.00 0.00 58.31 57.82 2aia n LYS 190 Cb 0.36 -1.16 -0.12 0.00 -0.51 0.00 0.00 35.03 33.60 2aia n LYS 190 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2aia s ASP 191 N -2.59 5.14 0.53 4.39 -1.08 -1.23 -4.97 116.67 116.84 2aia s ASP 191 Ca 0.00 -2.16 0.28 0.00 -0.52 0.00 0.00 52.55 50.15 2aia s ASP 191 Cb 0.00 -1.79 1.43 0.00 -1.46 0.00 0.00 42.92 41.10 2aia s ASP 191 CO 0.00 -0.49 1.94 -0.65 0.52 0.00 0.00 175.17 176.49 2aia h PRO 192 N 7.83 0.02 -0.41 4.34 0.11 -1.52 -1.61 132.00 140.76 2aia h PRO 192 Ca -0.10 -0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.81 2aia h PRO 192 Cb 1.03 -0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.02 2aia h PRO 192 CO 0.67 0.01 0.00 1.19 -0.21 0.00 0.00 178.00 179.66 2aia n PHE 193 N -4.33 1.28 -2.39 0.65 3.01 -1.26 -0.44 117.46 113.98 2aia n PHE 193 Ca 0.15 -1.55 -0.41 0.00 1.01 0.00 0.00 57.45 56.65 2aia n PHE 193 Cb 0.79 -0.52 -0.03 0.00 -0.01 0.00 0.00 39.48 39.71 2aia n PHE 193 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2aia s ALA 194 N -3.21 3.43 -0.58 4.37 0.00 -0.60 -5.00 121.76 120.17 2aia s ALA 194 Ca 0.46 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 53.24 2aia s ALA 194 Cb 0.41 -3.41 0.15 0.00 0.00 0.00 0.00 23.12 20.26 2aia s ALA 194 CO 0.02 -0.36 0.48 0.14 0.00 0.00 0.00 175.76 176.04 2aia s VAL 195 N 0.05 4.66 0.56 0.00 -7.23 -1.26 -4.99 120.40 112.19 2aia s VAL 195 Ca 0.53 -2.03 -0.13 0.00 -1.81 0.00 0.00 61.98 58.54 2aia s VAL 195 Cb -0.32 -4.00 -0.06 0.00 0.56 0.00 0.00 36.38 32.57 2aia s VAL 195 CO 0.36 -0.86 0.99 -0.75 -0.31 0.00 0.00 175.10 174.52 2aia s LYS 196 N 0.97 3.74 0.29 4.82 2.20 -1.26 -4.98 119.74 125.52 2aia s LYS 196 Ca 0.09 0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 56.19 2aia s LYS 196 Cb -0.23 -2.13 -0.12 0.00 -1.51 0.00 0.00 37.83 33.85 2aia s LYS 196 CO -0.02 -0.41 1.63 -3.47 -0.36 0.00 0.00 175.35 172.71 2aia n ASP 197 N -2.20 3.95 0.00 1.43 2.03 -1.26 -1.73 116.55 118.77 2aia n ASP 197 Ca 0.06 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.50 2aia n ASP 197 Cb 0.54 -1.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 2aia n ASP 197 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2aia n GLY 198 N 2.40 0.88 3.65 0.27 0.00 -1.26 -4.97 105.19 106.15 2aia n GLY 198 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2aia n GLY 198 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2aia s LEU 199 N 0.00 4.11 -0.26 0.99 2.96 -0.71 -1.17 118.68 124.61 2aia s LEU 199 Ca 0.00 0.40 -0.10 0.00 -0.22 0.00 0.00 54.13 54.21 2aia s LEU 199 Cb 0.00 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 2aia s LEU 199 CO 0.00 -0.10 0.16 -0.22 -1.32 0.00 0.00 176.35 174.86 2aia s LEU 200 N 1.56 3.96 -0.20 -0.68 2.96 -0.21 -4.87 118.68 121.19 2aia s LEU 200 Ca 0.17 0.01 -0.17 0.00 -0.22 0.00 0.00 54.13 53.91 2aia s LEU 200 Cb -0.15 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 2aia s LEU 200 CO 0.08 0.00 0.47 -0.63 -1.32 0.00 0.00 176.35 174.95 2aia s ILE 201 N 1.44 5.14 -0.20 6.68 -1.09 -1.26 -1.06 121.20 130.86 2aia s ILE 201 Ca 0.07 0.85 -0.17 0.00 -2.23 0.00 0.00 60.65 59.17 2aia s ILE 201 Cb -0.15 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 2aia s ILE 201 CO 0.07 0.20 0.45 -0.76 -1.23 0.00 0.00 174.94 173.67 2aia s LEU 202 N 1.56 4.16 0.00 2.97 1.43 0.76 -4.85 118.68 124.71 2aia s LEU 202 Ca 0.22 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 2aia s LEU 202 Cb -0.15 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.47 2aia s LEU 202 CO 0.09 -0.11 0.00 -0.62 0.23 0.00 0.00 176.35 175.94