#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d5a s GLU 2 N 0.00 4.40 0.35 0.03 2.02 -1.26 -5.02 118.70 119.22 2d5a s GLU 2 Ca 0.00 1.75 -0.08 0.00 0.02 0.00 0.00 54.97 56.66 2d5a s GLU 2 Cb 0.00 -2.92 -0.06 0.00 0.10 0.00 0.00 34.13 31.25 2d5a s GLU 2 CO 0.00 0.01 0.67 -1.21 0.02 0.00 0.00 175.26 174.75 2d5a s GLU 3 N -1.89 3.73 0.46 1.61 0.41 -1.26 -5.05 118.70 116.71 2d5a s GLU 3 Ca 0.50 0.28 -0.24 0.00 -0.41 0.00 0.00 54.97 55.11 2d5a s GLU 3 Cb -0.29 -2.50 -0.07 0.00 -1.78 0.00 0.00 34.13 29.48 2d5a s GLU 3 CO 0.37 0.08 1.24 -0.08 -0.49 0.00 0.00 175.26 176.39 2d5a s THR 4 N -2.22 2.76 0.09 3.63 -1.32 -1.26 -5.03 115.64 112.29 2d5a s THR 4 Ca 0.48 0.60 -0.08 0.00 -1.21 0.00 0.00 61.69 61.48 2d5a s THR 4 Cb -0.10 -3.32 -0.00 0.00 -1.51 0.00 0.00 72.50 67.56 2d5a s THR 4 CO 0.30 0.02 0.18 -0.13 -2.21 0.00 0.00 174.62 172.78 2d5a s ARG 5 N -2.60 0.84 0.36 7.08 1.81 -1.26 -5.13 118.95 120.05 2d5a s ARG 5 Ca 0.63 -0.98 -0.28 0.00 -1.72 0.00 0.00 55.73 53.38 2d5a s ARG 5 Cb -0.34 0.34 -0.12 0.00 -0.45 0.00 0.00 34.95 34.38 2d5a s ARG 5 CO 0.41 -0.26 1.38 -2.30 -0.68 0.00 0.00 175.30 173.85 2d5a n PRO 6 N -0.06 2.38 0.12 3.54 -0.02 -1.26 -4.88 135.00 134.83 2d5a n PRO 6 Ca -0.15 0.83 0.10 0.00 -2.02 0.00 0.00 63.50 62.27 2d5a n PRO 6 Cb 0.62 -2.48 0.47 0.00 -0.02 0.00 0.00 33.50 32.09 2d5a n PRO 6 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 2d5a n ILE 7 N 0.39 1.04 1.06 4.25 3.06 -1.26 -1.71 119.36 126.19 2d5a n ILE 7 Ca 0.03 0.47 0.14 0.00 -2.50 0.00 0.00 62.75 60.89 2d5a n ILE 7 Cb 0.37 -1.42 0.54 0.00 0.54 0.00 0.00 39.64 39.67 2d5a n ILE 7 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 2d5a n ASP 8 N -2.12 0.16 -0.60 9.51 3.85 -1.26 -4.92 116.55 121.16 2d5a n ASP 8 Ca 0.01 0.19 -0.06 0.00 -0.71 0.00 0.00 54.79 54.21 2d5a n ASP 8 Cb 0.12 -0.27 -0.02 0.00 -1.35 0.00 0.00 41.12 39.61 2d5a n ASP 8 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2d5a n GLY 9 N 1.47 0.50 3.86 6.12 0.00 -0.69 -4.98 105.19 111.46 2d5a n GLY 9 Ca 0.08 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 2d5a n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d5a s LEU 10 N -1.63 4.24 0.66 0.99 1.43 -1.26 -5.10 118.68 118.00 2d5a s LEU 10 Ca 0.00 0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 2d5a s LEU 10 Cb 0.00 -2.29 0.04 0.00 0.03 0.00 0.00 46.19 43.98 2d5a s LEU 10 CO 0.00 0.33 0.97 0.42 0.23 0.00 0.00 176.35 178.30 2d5a s THR 11 N -1.16 2.68 0.43 5.49 -4.23 -1.26 -4.86 115.64 112.74 2d5a s THR 11 Ca 0.21 -0.22 0.11 0.00 -1.18 0.00 0.00 61.69 60.60 2d5a s THR 11 Cb -0.12 -3.12 0.30 0.00 1.34 0.00 0.00 72.50 70.89 2d5a s THR 11 CO 0.11 -0.13 2.03 0.44 -0.54 0.00 0.00 174.62 176.53 2d5a h ASP 12 N -0.44 0.39 -0.37 3.99 3.45 -1.99 -1.11 116.42 120.34 2d5a h ASP 12 Ca -0.44 -0.00 -0.11 0.00 0.43 0.00 0.00 57.03 56.91 2d5a h ASP 12 Cb 1.30 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.97 2d5a h ASP 12 CO 0.60 0.26 -0.19 -0.08 -1.57 0.00 0.00 179.24 178.26 2d5a h GLU 13 N 0.45 0.79 -0.74 3.56 4.57 -1.99 0.18 114.58 121.40 2d5a h GLU 13 Ca 0.20 -0.35 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 2d5a h GLU 13 Cb 0.23 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 2d5a h GLU 13 CO -0.05 0.97 0.37 -0.44 -1.18 0.00 0.00 179.01 178.68 2d5a h ASP 14 N 0.58 0.95 -0.18 1.04 3.32 -1.58 -1.09 116.42 119.47 2d5a h ASP 14 Ca 0.08 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 2d5a h ASP 14 Cb 0.74 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 2d5a h ASP 14 CO 0.06 0.80 -0.19 0.40 -1.72 0.00 0.00 179.24 178.59 2d5a h ILE 15 N 1.03 1.34 -0.97 0.35 1.08 -1.19 -0.85 117.51 118.29 2d5a h ILE 15 Ca 0.25 -1.37 0.10 0.00 -0.39 0.00 0.00 64.86 63.46 2d5a h ILE 15 Cb 0.09 1.83 -0.07 0.00 -3.07 0.00 0.00 36.82 35.60 2d5a h ILE 15 CO -0.03 0.41 0.62 -0.09 -0.69 0.00 0.00 178.15 178.37 2d5a h ARG 16 N 0.09 0.98 -0.48 2.37 2.43 -0.39 0.21 114.38 119.60 2d5a h ARG 16 Ca 0.03 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 2d5a h ARG 16 Cb 0.74 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2d5a h ARG 16 CO 0.05 0.65 0.14 0.93 -1.51 0.00 0.00 179.97 180.23 2d5a h GLU 17 N 1.01 0.75 -0.55 0.20 5.08 -0.77 -0.68 114.58 119.62 2d5a h GLU 17 Ca 0.45 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.57 2d5a h GLU 17 Cb 0.38 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2d5a h GLU 17 CO -0.21 0.71 0.03 0.82 -1.00 0.00 0.00 179.01 179.36 2d5a h ILE 18 N 0.64 1.25 0.00 3.13 2.04 -0.40 -1.20 117.51 122.97 2d5a h ILE 18 Ca 0.15 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 2d5a h ILE 18 Cb 0.28 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2d5a h ILE 18 CO -0.00 0.37 -0.21 -0.07 0.00 0.00 0.00 178.15 178.24 2d5a h LEU 19 N 0.85 0.00 0.14 1.44 3.38 -0.58 -0.64 115.31 119.90 2d5a h LEU 19 Ca 0.16 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.79 2d5a h LEU 19 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2d5a h LEU 19 CO 0.02 0.21 -1.78 0.74 0.09 0.00 0.00 178.44 177.72 2d5a h THR 20 N 0.00 0.88 0.09 0.22 2.02 -0.89 -3.43 112.91 111.80 2d5a h THR 20 Ca -0.00 -2.53 -0.34 0.00 0.77 0.00 0.00 66.41 64.30 2d5a h THR 20 Cb 0.88 2.66 -0.03 0.00 -1.74 0.00 0.00 68.15 69.92 2d5a h THR 20 CO 0.03 0.84 -1.89 -1.14 0.37 0.00 0.00 175.52 173.72 2d5a n ARG 21 N -3.49 0.71 -3.32 6.66 3.00 -0.47 -4.81 116.66 114.94 2d5a n ARG 21 Ca -0.25 0.32 -0.47 0.00 -0.00 0.00 0.00 57.85 57.46 2d5a n ARG 21 Cb 1.06 -1.70 -0.03 0.00 0.00 0.00 0.00 32.46 31.79 2d5a n ARG 21 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2d5a s TYR 22 N -2.51 3.53 -1.16 -0.14 2.02 -0.25 -4.83 117.35 114.01 2d5a s TYR 22 Ca -0.25 -1.67 0.11 0.00 -0.37 0.00 0.00 57.07 54.88 2d5a s TYR 22 Cb 0.07 -3.82 0.19 0.00 -0.40 0.00 0.00 41.96 38.00 2d5a s TYR 22 CO 0.71 -1.01 1.04 1.63 -1.57 0.00 0.00 175.55 176.35 2d5a n LYS 23 N 4.57 1.63 -3.10 -0.62 5.02 -1.26 -4.80 118.16 119.59 2d5a n LYS 23 Ca 0.02 -1.57 -0.43 0.00 -2.02 0.00 0.00 58.31 54.30 2d5a n LYS 23 Cb 0.44 -1.24 -0.06 0.00 -0.02 0.00 0.00 35.03 34.15 2d5a n LYS 23 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2d5a s LYS 24 N -0.95 3.19 -0.08 1.97 -0.14 -1.26 -0.11 119.74 122.36 2d5a s LYS 24 Ca 0.18 -0.66 0.02 0.00 -1.36 0.00 0.00 55.97 54.14 2d5a s LYS 24 Cb 0.10 -4.05 -0.02 0.00 -1.68 0.00 0.00 37.83 32.18 2d5a s LYS 24 CO 0.15 -1.20 -0.14 0.42 -0.76 0.00 0.00 175.35 173.81 2d5a s ILE 25 N 2.88 3.07 -0.29 2.17 -1.09 -0.12 -0.79 121.20 127.03 2d5a s ILE 25 Ca 0.19 -0.69 -0.09 0.00 -2.23 0.00 0.00 60.65 57.83 2d5a s ILE 25 Cb -0.17 -2.24 -0.02 0.00 -1.58 0.00 0.00 42.46 38.46 2d5a s ILE 25 CO 0.15 0.57 0.13 0.00 -1.23 0.00 0.00 174.94 174.56 2d5a s ALA 26 N -0.32 3.26 -0.39 9.38 0.00 -0.05 -0.32 121.76 133.32 2d5a s ALA 26 Ca 0.03 -1.30 -0.10 0.00 0.00 0.00 0.00 51.96 50.59 2d5a s ALA 26 Cb -0.13 -2.31 0.05 0.00 0.00 0.00 0.00 23.12 20.74 2d5a s ALA 26 CO 0.02 -0.77 0.23 -1.17 0.00 0.00 0.00 175.76 174.08 2d5a s LEU 27 N 1.62 4.91 -0.14 0.00 0.20 -0.23 -0.68 118.68 124.37 2d5a s LEU 27 Ca 0.05 -1.25 -0.16 0.00 0.69 0.00 0.00 54.13 53.47 2d5a s LEU 27 Cb -0.16 -2.00 -0.04 0.00 -0.43 0.00 0.00 46.19 43.55 2d5a s LEU 27 CO 0.06 -0.46 0.37 -0.69 -0.29 0.00 0.00 176.35 175.34 2d5a s VAL 28 N 1.49 5.25 0.00 1.68 1.01 -0.14 -0.96 120.40 128.73 2d5a s VAL 28 Ca 0.02 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2d5a s VAL 28 Cb -0.21 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.46 2d5a s VAL 28 CO 0.04 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.12 2d5a n GLY 29 N 3.31 0.87 3.63 4.51 0.00 -0.21 0.02 105.19 117.32 2d5a n GLY 29 Ca -0.10 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 2d5a n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d5a n ALA 30 N -1.31 0.31 -3.27 4.61 0.00 -1.20 -4.81 120.51 114.84 2d5a n ALA 30 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 2d5a n ALA 30 Cb 0.00 -2.13 -0.10 0.00 0.00 0.00 0.00 19.45 17.22 2d5a n ALA 30 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2d5a s SER 31 N -1.15 -0.34 0.00 0.00 0.15 -1.26 -4.79 113.70 106.32 2d5a s SER 31 Ca 0.74 0.54 0.29 0.00 0.70 0.00 0.00 55.95 58.22 2d5a s SER 31 Cb -0.43 0.61 1.34 0.00 -1.71 0.00 0.00 66.02 65.83 2d5a s SER 31 CO 0.48 -0.25 1.95 -0.81 1.20 0.00 0.00 173.24 175.81 2d5a n PRO 32 N 2.29 0.46 -2.31 5.44 -0.04 -1.26 -4.25 135.00 135.32 2d5a n PRO 32 Ca -0.16 -0.08 -0.43 0.00 -0.04 0.00 0.00 63.50 62.79 2d5a n PRO 32 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 2d5a n PRO 32 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2d5a s LYS 33 N -2.60 4.15 0.48 0.54 1.02 -1.26 -4.89 119.74 117.18 2d5a s LYS 33 Ca 0.26 1.72 0.19 0.00 0.02 0.00 0.00 55.97 58.17 2d5a s LYS 33 Cb 0.20 -3.84 1.20 0.00 -0.52 0.00 0.00 37.83 34.87 2d5a s LYS 33 CO 0.48 -0.83 1.98 -1.35 -0.92 0.00 0.00 175.35 174.71 2d5a h PRO 34 N 8.79 0.21 -0.16 -1.68 0.11 -1.97 -0.63 132.00 136.67 2d5a h PRO 34 Ca -0.30 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.71 2d5a h PRO 34 Cb 1.12 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2d5a h PRO 34 CO 0.98 0.14 -0.31 1.05 -0.21 0.00 0.00 178.00 179.65 2d5a h GLU 35 N 0.22 0.31 -6.88 1.05 4.11 -1.97 -3.40 114.58 108.01 2d5a h GLU 35 Ca 0.28 -0.12 -0.51 0.00 0.07 0.00 0.00 59.36 59.07 2d5a h GLU 35 Cb 0.81 -0.02 0.05 0.00 0.50 0.00 0.00 28.75 30.09 2d5a h GLU 35 CO -0.05 0.59 0.56 1.03 0.07 0.00 0.00 179.01 181.21 2d5a s ARG 36 N -4.36 4.31 0.37 1.06 1.81 -0.25 -4.92 118.95 116.99 2d5a s ARG 36 Ca -0.05 2.01 0.07 0.00 -1.72 0.00 0.00 55.73 56.04 2d5a s ARG 36 Cb 0.14 -2.97 0.77 0.00 -0.45 0.00 0.00 34.95 32.44 2d5a s ARG 36 CO 0.77 -0.15 1.97 -0.44 -0.68 0.00 0.00 175.30 176.77 2d5a h ASP 37 N 3.23 0.62 -0.25 0.23 5.19 -1.88 -1.17 116.42 122.40 2d5a h ASP 37 Ca -0.48 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 55.94 2d5a h ASP 37 Cb 1.23 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.59 2d5a h ASP 37 CO 0.65 0.41 0.17 0.00 -3.12 0.00 0.00 179.24 177.34 2d5a h ALA 38 N 1.63 1.88 -0.06 3.45 0.00 -1.91 -0.92 119.26 123.33 2d5a h ALA 38 Ca 0.29 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 2d5a h ALA 38 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2d5a h ALA 38 CO -0.09 0.09 -0.28 -0.97 0.00 0.00 0.00 179.25 178.00 2d5a h ASN 39 N 0.29 0.35 -0.33 0.00 -0.73 -1.40 -0.95 115.58 112.81 2d5a h ASN 39 Ca 0.10 -0.65 0.00 0.00 1.87 0.00 0.00 56.30 57.62 2d5a h ASN 39 Cb 0.04 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.51 2d5a h ASN 39 CO -0.02 0.94 0.21 0.40 -0.37 0.00 0.00 177.43 178.60 2d5a h ILE 40 N -0.22 1.08 -0.38 2.57 1.08 -1.21 -0.95 117.51 119.48 2d5a h ILE 40 Ca -0.02 -0.15 -0.13 0.00 -0.39 0.00 0.00 64.86 64.17 2d5a h ILE 40 Cb 0.93 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 2d5a h ILE 40 CO 0.06 0.08 -0.27 0.58 -0.69 0.00 0.00 178.15 177.91 2d5a h VAL 41 N 0.44 1.28 -0.59 1.67 2.07 -1.23 -1.52 116.25 118.37 2d5a h VAL 41 Ca 0.12 -1.42 0.03 0.00 0.82 0.00 0.00 66.70 66.25 2d5a h VAL 41 Cb -0.05 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 2d5a h VAL 41 CO -0.03 0.47 0.35 -0.03 0.02 0.00 0.00 177.57 178.35 2d5a h MET 42 N 0.65 0.66 -0.44 1.57 1.85 -1.02 0.83 114.93 119.03 2d5a h MET 42 Ca 0.07 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.11 2d5a h MET 42 Cb 0.84 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.70 2d5a h MET 42 CO 0.07 0.44 0.24 -0.22 -0.40 0.00 0.00 176.91 177.04 2d5a h LYS 43 N 0.68 0.62 -0.78 0.39 3.64 -0.99 -0.54 116.57 119.59 2d5a h LYS 43 Ca 0.24 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2d5a h LYS 43 Cb 0.05 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 2d5a h LYS 43 CO -0.12 0.50 0.51 -0.92 -2.27 0.00 0.00 179.45 177.15 2d5a h TYR 44 N 0.58 0.98 -0.47 1.91 5.03 -0.84 -0.48 116.97 123.67 2d5a h TYR 44 Ca 0.16 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.39 2d5a h TYR 44 Cb 0.06 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 37.99 2d5a h TYR 44 CO -0.02 0.62 -0.10 -0.07 -1.32 0.00 0.00 178.16 177.28 2d5a h LEU 45 N 1.06 0.91 -1.30 2.82 3.38 -0.45 -2.07 115.31 119.65 2d5a h LEU 45 Ca 0.28 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2d5a h LEU 45 Cb -0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.36 2d5a h LEU 45 CO -0.06 1.05 0.18 -0.07 0.09 0.00 0.00 178.44 179.63 2d5a h LEU 46 N 0.75 0.60 -0.84 1.67 3.38 -0.77 -1.32 115.31 118.77 2d5a h LEU 46 Ca 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2d5a h LEU 46 Cb 0.64 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2d5a h LEU 46 CO 0.04 0.54 0.00 -0.33 0.09 0.00 0.00 178.44 178.79 2d5a h GLU 47 N 0.66 0.00 -0.35 1.13 5.08 -0.43 -3.10 114.58 117.57 2d5a h GLU 47 Ca 0.16 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.39 2d5a h GLU 47 Cb 0.13 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 2d5a h GLU 47 CO -0.02 0.00 -0.01 0.72 -1.00 0.00 0.00 179.01 178.70 2d5a n HIS 48 N -2.43 1.13 -0.73 4.33 8.25 -0.58 -4.97 115.22 120.21 2d5a n HIS 48 Ca 0.02 -1.36 0.00 0.00 -0.26 0.00 0.00 57.72 56.12 2d5a n HIS 48 Cb 0.25 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 30.91 2d5a n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2d5a n GLY 49 N -0.93 0.70 3.82 -1.41 0.00 -1.14 -5.03 105.19 101.20 2d5a n GLY 49 Ca 0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.97 2d5a n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2d5a s TYR 50 N -2.40 3.54 -0.45 1.61 1.51 -0.68 -4.99 117.35 115.49 2d5a s TYR 50 Ca 0.00 1.48 -0.15 0.00 -1.01 0.00 0.00 57.07 57.39 2d5a s TYR 50 Cb 0.00 -2.71 0.05 0.00 -0.11 0.00 0.00 41.96 39.20 2d5a s TYR 50 CO 0.00 0.18 0.36 0.34 -1.11 0.00 0.00 175.55 175.32 2d5a s ASP 51 N -1.86 6.12 -0.29 2.29 3.68 0.85 -4.38 116.67 123.07 2d5a s ASP 51 Ca 0.50 -1.18 -0.05 0.00 2.13 0.00 0.00 52.55 53.95 2d5a s ASP 51 Cb -0.14 -2.17 0.02 0.00 -1.45 0.00 0.00 42.92 39.18 2d5a s ASP 51 CO 0.20 -0.57 0.04 -0.69 0.13 0.00 0.00 175.17 174.28 2d5a s VAL 52 N 1.65 3.61 -0.42 1.11 1.01 -1.26 -0.94 120.40 125.16 2d5a s VAL 52 Ca 0.04 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 2d5a s VAL 52 Cb -0.22 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.29 2d5a s VAL 52 CO 0.08 0.07 0.41 -0.31 0.00 0.00 0.00 175.10 175.34 2d5a s TYR 53 N 1.43 3.18 0.34 5.22 2.02 0.56 -4.96 117.35 125.14 2d5a s TYR 53 Ca 0.01 -0.42 -0.28 0.00 -0.37 0.00 0.00 57.07 56.01 2d5a s TYR 53 Cb -0.17 -2.83 -0.10 0.00 -0.40 0.00 0.00 41.96 38.45 2d5a s TYR 53 CO 0.01 -0.68 1.22 -1.25 -1.57 0.00 0.00 175.55 173.27 2d5a s PRO 54 N 2.04 4.35 -0.13 -1.71 0.04 -1.26 -1.06 135.00 137.27 2d5a s PRO 54 Ca 0.11 2.01 -0.00 0.00 0.04 0.00 0.00 61.00 63.16 2d5a s PRO 54 Cb -0.17 -3.00 0.03 0.00 0.04 0.00 0.00 34.50 31.39 2d5a s PRO 54 CO 0.13 -0.12 -0.09 0.08 0.04 0.00 0.00 177.00 177.04 2d5a s VAL 55 N -1.21 1.20 -0.30 -0.36 1.01 -0.14 -1.01 120.40 119.59 2d5a s VAL 55 Ca 0.50 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 2d5a s VAL 55 Cb -0.35 -1.20 0.18 0.00 0.00 0.00 0.00 36.38 35.01 2d5a s VAL 55 CO 0.46 0.38 1.07 0.21 0.00 0.00 0.00 175.10 177.22 2d5a s ASN 56 N 1.63 -0.42 0.36 3.32 3.84 0.42 -1.04 114.94 123.05 2d5a s ASN 56 Ca 0.05 0.28 0.23 0.00 0.21 0.00 0.00 52.86 53.63 2d5a s ASN 56 Cb -0.13 1.36 1.24 0.00 -0.55 0.00 0.00 41.25 43.17 2d5a s ASN 56 CO -0.09 -0.08 1.68 -0.65 -2.79 0.00 0.00 177.10 175.17 2d5a h PRO 57 N 7.96 0.00 -0.00 0.43 0.11 -1.76 -1.94 132.00 136.79 2d5a h PRO 57 Ca -0.13 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.82 2d5a h PRO 57 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2d5a h PRO 57 CO -0.10 0.00 -0.75 -0.22 -0.21 0.00 0.00 178.00 176.72 2d5a h LYS 58 N 0.00 0.02 -6.57 1.05 3.64 -1.96 -3.47 116.57 109.28 2d5a h LYS 58 Ca 0.00 -0.02 -0.65 0.00 -1.27 0.00 0.00 60.65 58.71 2d5a h LYS 58 Cb 0.11 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 31.77 2d5a h LYS 58 CO 0.00 0.76 -0.78 0.71 -2.27 0.00 0.00 179.45 177.87 2d5a s TYR 59 N -3.32 2.47 -0.04 1.91 1.51 -0.73 -5.03 117.35 114.12 2d5a s TYR 59 Ca -0.01 -0.29 0.17 0.00 -1.01 0.00 0.00 57.07 55.93 2d5a s TYR 59 Cb 0.12 -1.23 -0.26 0.00 -0.11 0.00 0.00 41.96 40.48 2d5a s TYR 59 CO 0.79 0.48 0.37 0.39 -1.11 0.00 0.00 175.55 176.47 2d5a n GLU 60 N 0.27 0.53 -3.71 -0.62 1.02 -1.26 -4.57 120.64 112.30 2d5a n GLU 60 Ca -0.12 -0.15 -0.11 0.00 -0.02 0.00 0.00 57.16 56.75 2d5a n GLU 60 Cb 0.55 -1.39 -0.10 0.00 -0.02 0.00 0.00 31.44 30.48 2d5a n GLU 60 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2d5a s GLU 61 N -3.14 0.44 -0.03 3.49 2.12 -1.26 -0.77 118.70 119.56 2d5a s GLU 61 Ca -0.06 0.72 -0.00 0.00 0.36 0.00 0.00 54.97 55.99 2d5a s GLU 61 Cb 0.11 0.08 0.03 0.00 0.26 0.00 0.00 34.13 34.61 2d5a s GLU 61 CO 0.69 -0.12 0.02 0.08 -0.54 0.00 0.00 175.26 175.39 2d5a s VAL 62 N 0.94 0.08 -1.42 3.70 1.01 -0.37 -4.83 120.40 119.52 2d5a s VAL 62 Ca -0.06 0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 2d5a s VAL 62 Cb -0.06 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 36.13 2d5a s VAL 62 CO -0.08 0.15 0.53 0.18 0.00 0.00 0.00 175.10 175.88 2d5a n LEU 63 N 4.47 -2.12 0.00 3.92 4.77 -1.26 -1.07 117.00 125.70 2d5a n LEU 63 Ca -0.21 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 2d5a n LEU 63 Cb 0.50 -2.57 0.00 0.00 -2.33 0.00 0.00 43.42 39.02 2d5a n LEU 63 CO 0.18 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2d5a n GLY 64 N -1.34 0.68 3.53 -0.72 0.00 -1.26 -5.01 105.19 101.07 2d5a n GLY 64 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2d5a n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d5a s ARG 65 N -0.05 2.69 0.45 1.61 1.81 -0.23 -5.08 118.95 120.14 2d5a s ARG 65 Ca 0.00 -0.61 -0.25 0.00 -1.72 0.00 0.00 55.73 53.14 2d5a s ARG 65 Cb 0.00 -2.51 -0.08 0.00 -0.45 0.00 0.00 34.95 31.91 2d5a s ARG 65 CO 0.00 0.62 1.43 0.15 -0.68 0.00 0.00 175.30 176.82 2d5a s LYS 66 N -0.71 3.68 -0.09 3.54 1.02 -1.26 -1.24 119.74 124.68 2d5a s LYS 66 Ca 0.11 2.43 0.01 0.00 0.02 0.00 0.00 55.97 58.53 2d5a s LYS 66 Cb -0.11 -2.66 -0.02 0.00 -0.52 0.00 0.00 37.83 34.52 2d5a s LYS 66 CO 0.01 -0.82 -0.10 0.00 -0.92 0.00 0.00 175.35 173.52 2d5a s TYR 68 N -0.30 2.92 -1.18 0.00 1.51 -0.18 -4.57 117.35 115.56 2d5a s TYR 68 Ca 0.03 -0.10 0.28 0.00 -1.01 0.00 0.00 57.07 56.27 2d5a s TYR 68 Cb -0.13 -1.43 1.05 0.00 -0.11 0.00 0.00 41.96 41.34 2d5a s TYR 68 CO 0.03 0.51 1.78 -0.35 -1.11 0.00 0.00 175.55 176.40 2d5a n PRO 69 N -0.04 0.18 -3.48 -1.71 -0.04 -1.26 -0.44 135.00 128.21 2d5a n PRO 69 Ca -0.10 -0.06 -0.14 0.00 -0.04 0.00 0.00 63.50 63.17 2d5a n PRO 69 Cb 0.54 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 2d5a n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d5a s SER 70 N -2.85 -0.56 0.45 3.54 0.15 -1.26 -4.37 113.70 108.81 2d5a s SER 70 Ca 0.17 0.20 0.19 0.00 0.70 0.00 0.00 55.95 57.21 2d5a s SER 70 Cb 0.19 0.56 1.08 0.00 -1.71 0.00 0.00 66.02 66.14 2d5a s SER 70 CO 0.56 -0.83 1.97 0.58 1.20 0.00 0.00 173.24 176.72 2d5a h VAL 71 N 2.41 0.96 0.00 4.45 2.07 -1.93 -2.44 116.25 121.76 2d5a h VAL 71 Ca -0.32 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2d5a h VAL 71 Cb 1.25 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2d5a h VAL 71 CO 0.39 0.21 0.00 -0.07 0.02 0.00 0.00 177.57 178.12 2d5a h LEU 72 N 0.00 0.00 -0.34 2.57 3.38 -1.95 -2.71 115.31 116.26 2d5a h LEU 72 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2d5a h LEU 72 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2d5a h LEU 72 CO 0.03 0.00 -0.05 0.47 0.09 0.00 0.00 178.44 178.98 2d5a n ASP 73 N -2.87 0.58 -4.70 -0.43 9.92 -0.92 -4.87 116.55 113.27 2d5a n ASP 73 Ca 0.01 -0.92 -0.42 0.00 -0.53 0.00 0.00 54.79 52.93 2d5a n ASP 73 Cb 0.32 -0.04 -0.03 0.00 -0.64 0.00 0.00 41.12 40.73 2d5a n ASP 73 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2d5a s ILE 74 N -2.22 4.38 -0.67 0.53 1.01 -1.02 -4.91 121.20 118.30 2d5a s ILE 74 Ca 0.37 1.70 -0.06 0.00 0.00 0.00 0.00 60.65 62.65 2d5a s ILE 74 Cb 0.21 -4.09 -0.08 0.00 0.01 0.00 0.00 42.46 38.50 2d5a s ILE 74 CO 0.41 0.07 3.07 -0.81 0.00 0.00 0.00 174.94 177.68 2d5a n PRO 75 N 4.52 2.87 -3.79 2.79 -0.04 -1.26 -4.80 135.00 135.30 2d5a n PRO 75 Ca 0.09 -1.99 -0.04 0.00 -0.04 0.00 0.00 63.50 61.51 2d5a n PRO 75 Cb 0.48 -2.30 -0.01 0.00 -0.04 0.00 0.00 33.50 31.62 2d5a n PRO 75 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2d5a s ASP 76 N 1.35 -0.18 0.54 3.54 -1.08 -1.26 -5.14 116.67 114.44 2d5a s ASP 76 Ca 0.63 -0.49 -0.17 0.00 -0.52 0.00 0.00 52.55 52.01 2d5a s ASP 76 Cb 0.29 0.55 -0.06 0.00 -1.46 0.00 0.00 42.92 42.24 2d5a s ASP 76 CO -0.09 -1.03 1.03 -1.59 0.52 0.00 0.00 175.17 174.01 2d5a s LYS 77 N -3.35 3.62 -0.03 4.34 -2.85 -1.26 -5.05 119.74 115.17 2d5a s LYS 77 Ca 0.13 1.18 0.04 0.00 -1.00 0.00 0.00 55.97 56.32 2d5a s LYS 77 Cb -0.03 -2.08 -0.01 0.00 -2.06 0.00 0.00 37.83 33.66 2d5a s LYS 77 CO 0.04 -0.56 -0.14 0.42 0.10 0.00 0.00 175.35 175.20 2d5a s ILE 78 N -2.37 1.18 -0.18 3.79 -1.09 -1.26 -4.86 121.20 116.41 2d5a s ILE 78 Ca 0.63 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 58.45 2d5a s ILE 78 Cb -0.14 -1.01 -0.11 0.00 -1.58 0.00 0.00 42.46 39.62 2d5a s ILE 78 CO 0.30 0.34 -0.17 -0.62 -1.23 0.00 0.00 174.94 173.57 2d5a n GLU 79 N 3.00 0.44 -4.78 2.79 1.02 0.03 -3.88 120.64 119.25 2d5a n GLU 79 Ca -0.17 0.11 -0.28 0.00 -0.02 0.00 0.00 57.16 56.81 2d5a n GLU 79 Cb 0.54 -1.33 -0.17 0.00 -0.02 0.00 0.00 31.44 30.46 2d5a n GLU 79 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2d5a s VAL 80 N -2.35 1.53 -0.34 2.62 1.01 -0.71 -1.07 120.40 121.09 2d5a s VAL 80 Ca -0.24 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 2d5a s VAL 80 Cb 0.07 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 2d5a s VAL 80 CO 0.40 0.44 0.27 -0.69 0.00 0.00 0.00 175.10 175.52 2d5a s VAL 81 N 0.62 5.26 -0.30 2.92 1.01 -0.39 -0.87 120.40 128.64 2d5a s VAL 81 Ca -0.14 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 2d5a s VAL 81 Cb -0.16 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.48 2d5a s VAL 81 CO 0.04 -0.02 0.12 -0.62 0.00 0.00 0.00 175.10 174.62 2d5a s ASP 82 N 1.72 5.38 -0.27 3.32 2.15 0.14 -0.88 116.67 128.24 2d5a s ASP 82 Ca 0.07 -0.57 -0.12 0.00 0.43 0.00 0.00 52.55 52.36 2d5a s ASP 82 Cb -0.17 -1.96 -0.05 0.00 -0.30 0.00 0.00 42.92 40.44 2d5a s ASP 82 CO 0.11 -0.19 0.25 -0.76 -0.17 0.00 0.00 175.17 174.42 2d5a s LEU 83 N 1.58 4.04 -0.42 -1.34 1.43 -0.14 -0.96 118.68 122.85 2d5a s LEU 83 Ca 0.04 0.11 0.06 0.00 -1.03 0.00 0.00 54.13 53.32 2d5a s LEU 83 Cb -0.17 -2.23 0.43 0.00 0.03 0.00 0.00 46.19 44.25 2d5a s LEU 83 CO 0.05 -0.09 1.09 0.49 0.23 0.00 0.00 176.35 178.12 2d5a n PHE 84 N 5.08 3.16 -4.21 0.29 3.72 0.10 -2.99 117.46 122.62 2d5a n PHE 84 Ca -0.12 -3.07 -0.12 0.00 -0.05 0.00 0.00 57.45 54.09 2d5a n PHE 84 Cb 0.52 -0.12 -0.10 0.00 -0.94 0.00 0.00 39.48 38.84 2d5a n PHE 84 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2d5a s VAL 85 N -5.26 0.77 0.81 -4.37 -7.23 -1.26 -4.43 120.40 99.43 2d5a s VAL 85 Ca 0.46 -1.98 -0.13 0.00 -1.81 0.00 0.00 61.98 58.52 2d5a s VAL 85 Cb 0.41 -1.90 0.09 0.00 0.56 0.00 0.00 36.38 35.54 2d5a s VAL 85 CO -0.16 -0.68 1.19 -0.54 -0.31 0.00 0.00 175.10 174.59 2d5a s LYS 86 N -3.85 1.63 0.24 4.82 1.02 -1.26 -4.59 119.74 117.74 2d5a s LYS 86 Ca 0.18 1.69 -0.08 0.00 0.02 0.00 0.00 55.97 57.78 2d5a s LYS 86 Cb 0.05 -1.78 0.41 0.00 -0.52 0.00 0.00 37.83 35.99 2d5a s LYS 86 CO -0.00 -2.21 1.64 -1.35 -0.92 0.00 0.00 175.35 172.51 2d5a h PRO 87 N -1.00 0.09 0.00 -1.68 0.11 -1.76 0.14 132.00 127.91 2d5a h PRO 87 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2d5a h PRO 87 Cb 1.29 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2d5a h PRO 87 CO 0.46 0.06 0.00 0.87 -0.21 0.00 0.00 178.00 179.18 2d5a h LYS 88 N 0.10 0.00 0.00 1.05 1.57 -1.90 -0.35 116.57 117.03 2d5a h LYS 88 Ca 0.40 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.15 2d5a h LYS 88 Cb 0.68 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 2d5a h LYS 88 CO -0.65 0.00 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.02 2d5a h LEU 89 N 0.00 0.00 -1.08 2.94 4.07 -1.06 -3.25 115.31 116.93 2d5a h LEU 89 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2d5a h LEU 89 Cb 0.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.11 2d5a h LEU 89 CO 0.00 0.14 0.00 0.71 -1.08 0.00 0.00 178.44 178.21 2d5a h THR 90 N 0.00 0.00 -0.57 0.22 1.35 -0.74 -2.98 112.91 110.19 2d5a h THR 90 Ca -0.00 -0.42 -0.08 0.00 -0.55 0.00 0.00 66.41 65.35 2d5a h THR 90 Cb 1.03 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 2d5a h THR 90 CO 0.02 0.00 0.03 -0.03 -0.25 0.00 0.00 175.52 175.29 2d5a h MET 91 N 0.00 0.99 -0.67 4.72 1.85 -1.69 -0.47 114.93 119.66 2d5a h MET 91 Ca 0.00 -0.30 -0.02 0.00 -0.61 0.00 0.00 59.70 58.77 2d5a h MET 91 Cb 0.48 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 32.38 2d5a h MET 91 CO 0.00 0.97 0.32 0.93 -0.40 0.00 0.00 176.91 178.74 2d5a h GLU 92 N 0.88 0.97 0.00 0.39 4.39 -1.76 -0.73 114.58 118.72 2d5a h GLU 92 Ca 0.17 -0.14 -0.11 0.00 0.34 0.00 0.00 59.36 59.62 2d5a h GLU 92 Cb 0.50 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2d5a h GLU 92 CO 0.02 0.77 -0.51 1.88 -1.16 0.00 0.00 179.01 180.01 2d5a h TYR 93 N 0.93 0.00 -0.12 4.33 -1.99 -1.48 -0.25 116.97 118.39 2d5a h TYR 93 Ca 0.23 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.76 2d5a h TYR 93 Cb 0.12 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.85 2d5a h TYR 93 CO 0.00 0.51 -0.73 0.28 -0.00 0.00 0.00 178.16 178.22 2d5a h VAL 94 N 0.00 1.33 -0.40 -2.88 2.07 -0.76 0.93 116.25 116.55 2d5a h VAL 94 Ca -0.01 -2.03 -0.02 0.00 0.82 0.00 0.00 66.70 65.46 2d5a h VAL 94 Cb 0.98 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 2d5a h VAL 94 CO 0.07 0.63 0.16 -0.33 0.02 0.00 0.00 177.57 178.12 2d5a h GLU 95 N 0.40 0.59 -0.56 1.57 4.39 -0.71 -0.53 114.58 119.72 2d5a h GLU 95 Ca -0.03 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 2d5a h GLU 95 Cb 1.32 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.85 2d5a h GLU 95 CO 0.14 0.55 0.32 1.96 -1.16 0.00 0.00 179.01 180.81 2d5a h GLN 96 N 0.50 0.77 -0.77 2.33 4.20 -0.73 -2.27 115.11 119.14 2d5a h GLN 96 Ca 0.13 -0.08 0.12 0.00 0.06 0.00 0.00 58.65 58.88 2d5a h GLN 96 Cb 0.18 -0.16 -0.08 0.00 0.30 0.00 0.00 27.48 27.72 2d5a h GLN 96 CO -0.01 0.58 0.38 0.00 -0.67 0.00 0.00 178.83 179.10 2d5a h ALA 97 N 1.15 1.11 -0.05 3.87 0.00 -0.40 0.71 119.26 125.65 2d5a h ALA 97 Ca 0.20 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2d5a h ALA 97 Cb 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2d5a h ALA 97 CO -0.03 -0.08 0.02 0.82 0.00 0.00 0.00 179.25 179.98 2d5a h ILE 98 N 0.59 1.16 0.00 0.00 2.04 -0.88 -1.49 117.51 118.93 2d5a h ILE 98 Ca 0.40 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 2d5a h ILE 98 Cb 0.51 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2d5a h ILE 98 CO -0.32 0.13 -0.09 0.11 0.00 0.00 0.00 178.15 177.97 2d5a h LYS 99 N -0.09 0.00 0.00 2.37 1.57 -0.92 -2.34 116.57 117.15 2d5a h LYS 99 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2d5a h LYS 99 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2d5a h LYS 99 CO -0.00 0.09 -0.14 -0.22 -0.57 0.00 0.00 179.45 178.61 2d5a h LYS 100 N 0.00 0.00 0.00 3.15 1.63 -0.59 -3.47 116.57 117.29 2d5a h LYS 100 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2d5a h LYS 100 Cb 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 2d5a h LYS 100 CO 0.01 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.42 2d5a n GLY 101 N 1.23 0.62 3.69 5.01 0.00 -0.83 -4.77 105.19 110.14 2d5a n GLY 101 Ca 0.04 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 2d5a n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d5a s ALA 102 N -2.00 1.57 -0.19 4.61 0.00 -0.62 -4.88 121.76 120.24 2d5a s ALA 102 Ca 0.00 0.43 0.17 0.00 0.00 0.00 0.00 51.96 52.57 2d5a s ALA 102 Cb 0.00 -3.38 -0.24 0.00 0.00 0.00 0.00 23.12 19.50 2d5a s ALA 102 CO 0.00 -2.55 0.08 1.63 0.00 0.00 0.00 175.76 174.92 2d5a n LYS 103 N -4.07 0.82 -4.05 0.00 4.76 -0.23 -4.86 118.16 110.52 2d5a n LYS 103 Ca 0.10 -0.02 -0.15 0.00 -2.87 0.00 0.00 58.31 55.38 2d5a n LYS 103 Cb 0.53 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 32.07 2d5a n LYS 103 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2d5a s VAL 104 N -2.50 0.26 -0.16 -0.18 1.01 -0.26 -1.15 120.40 117.42 2d5a s VAL 104 Ca -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 2d5a s VAL 104 Cb 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.19 2d5a s VAL 104 CO 0.80 0.08 -0.09 -0.69 0.00 0.00 0.00 175.10 175.21 2d5a s VAL 105 N 0.02 3.32 -0.25 2.92 1.01 0.21 -1.27 120.40 126.37 2d5a s VAL 105 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2d5a s VAL 105 Cb -0.02 -2.44 0.05 0.00 0.00 0.00 0.00 36.38 33.97 2d5a s VAL 105 CO -0.00 0.49 -0.12 0.86 0.00 0.00 0.00 175.10 176.33 2d5a s TRP 106 N 0.66 3.17 -0.34 5.22 -0.11 -0.06 -0.95 118.94 126.54 2d5a s TRP 106 Ca -0.05 -2.14 -0.22 0.00 1.22 0.00 0.00 56.10 54.91 2d5a s TRP 106 Cb -0.15 -1.95 0.00 0.00 -1.50 0.00 0.00 33.47 29.88 2d5a s TRP 106 CO 0.02 -0.85 0.74 -0.06 -4.62 0.00 0.00 176.95 172.18 2d5a s PHE 107 N 1.16 3.15 1.09 5.86 0.08 -0.05 -0.97 117.98 128.29 2d5a s PHE 107 Ca -0.06 0.58 -0.18 0.00 0.12 0.00 0.00 56.93 57.39 2d5a s PHE 107 Cb -0.19 -3.27 0.26 0.00 -0.57 0.00 0.00 43.02 39.25 2d5a s PHE 107 CO -0.06 -0.65 1.25 -0.65 -0.10 0.00 0.00 175.22 175.01 2d5a s GLN 108 N 2.95 -0.40 0.34 0.44 -1.52 -1.16 -2.24 119.66 118.06 2d5a s GLN 108 Ca 0.30 -0.37 -0.29 0.00 -1.95 0.00 0.00 55.36 53.05 2d5a s GLN 108 Cb -0.14 -1.72 -0.11 0.00 -0.22 0.00 0.00 33.01 30.82 2d5a s GLN 108 CO 0.15 -3.12 1.52 0.71 -0.25 0.00 0.00 175.29 174.30 2d5a s TYR 109 N -3.56 2.70 -1.48 0.91 2.02 -1.26 -2.38 117.35 114.29 2d5a s TYR 109 Ca 0.74 1.03 0.00 0.00 -0.37 0.00 0.00 57.07 58.47 2d5a s TYR 109 Cb -0.05 -4.01 0.00 0.00 -0.40 0.00 0.00 41.96 37.50 2d5a s TYR 109 CO 0.55 -3.15 0.00 0.09 -1.57 0.00 0.00 175.55 171.47 2d5a n ASN 110 N 1.23 -4.83 -0.07 2.29 5.03 -1.26 -4.88 115.26 112.78 2d5a n ASN 110 Ca 0.04 0.35 0.04 0.00 0.87 0.00 0.00 54.58 55.87 2d5a n ASN 110 Cb 0.39 -3.56 -0.03 0.00 -1.02 0.00 0.00 39.78 35.56 2d5a n ASN 110 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2d5a n THR 111 N -2.55 0.00 -1.76 3.41 -2.24 -1.00 -4.34 114.28 105.81 2d5a n THR 111 Ca -0.14 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 60.86 2d5a n THR 111 Cb 0.48 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 2d5a n THR 111 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2d5a s TYR 112 N -1.49 2.77 -0.07 4.78 6.14 -1.26 -3.87 117.35 124.35 2d5a s TYR 112 Ca 0.04 0.68 -0.01 0.00 0.64 0.00 0.00 57.07 58.43 2d5a s TYR 112 Cb 0.06 -4.10 0.03 0.00 0.42 0.00 0.00 41.96 38.37 2d5a s TYR 112 CO 0.26 -3.78 -0.02 1.21 0.64 0.00 0.00 175.55 173.86 2d5a s ASN 113 N 0.63 1.55 0.13 4.32 2.47 -1.26 -4.71 114.94 118.07 2d5a s ASN 113 Ca 0.66 -0.13 -0.19 0.00 0.42 0.00 0.00 52.86 53.61 2d5a s ASN 113 Cb -0.48 -0.52 -0.05 0.00 -1.45 0.00 0.00 41.25 38.75 2d5a s ASN 113 CO 0.45 -0.15 1.77 0.03 -3.72 0.00 0.00 177.10 175.48 2d5a h ARG 114 N 8.03 0.33 -0.11 0.43 3.08 -1.95 -0.64 114.38 123.56 2d5a h ARG 114 Ca -0.26 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.79 2d5a h ARG 114 Cb 1.13 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 2d5a h ARG 114 CO 0.34 0.24 -0.03 1.49 -1.07 0.00 0.00 179.97 180.93 2d5a h GLU 115 N 0.32 0.00 -0.51 0.04 4.57 -1.99 -0.66 114.58 116.35 2d5a h GLU 115 Ca 0.09 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.30 2d5a h GLU 115 Cb -0.02 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 2d5a h GLU 115 CO -0.02 0.00 0.30 0.00 -1.18 0.00 0.00 179.01 178.11 2d5a h ALA 116 N 1.11 0.66 -1.00 2.92 0.00 -1.86 -1.39 119.26 119.68 2d5a h ALA 116 Ca 0.05 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.09 2d5a h ALA 116 Cb 0.08 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.64 2d5a h ALA 116 CO -0.11 -0.01 0.63 1.03 0.00 0.00 0.00 179.25 180.79 2d5a h SER 117 N 0.59 0.90 -0.18 0.00 0.87 -0.74 -1.72 113.55 113.26 2d5a h SER 117 Ca 0.21 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.80 2d5a h SER 117 Cb 0.04 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2d5a h SER 117 CO -0.11 0.45 0.01 0.50 -0.53 0.00 0.00 176.83 177.16 2d5a h LYS 118 N 0.95 0.31 -0.81 2.24 3.64 -0.08 -0.56 116.57 122.27 2d5a h LYS 118 Ca 0.51 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.79 2d5a h LYS 118 Cb 0.57 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 2d5a h LYS 118 CO -0.29 0.50 0.48 0.87 -2.27 0.00 0.00 179.45 178.74 2d5a h LYS 119 N 0.08 1.11 -0.67 1.90 1.79 -1.04 0.09 116.57 119.83 2d5a h LYS 119 Ca 0.05 -0.11 -0.08 0.00 -2.18 0.00 0.00 60.65 58.34 2d5a h LYS 119 Cb 0.35 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 2d5a h LYS 119 CO 0.01 0.79 0.12 0.00 -1.08 0.00 0.00 179.45 179.28 2d5a h ALA 120 N 1.40 0.89 -0.19 3.86 0.00 -1.01 -2.14 119.26 122.07 2d5a h ALA 120 Ca 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2d5a h ALA 120 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2d5a h ALA 120 CO -0.05 0.65 -0.00 0.22 0.00 0.00 0.00 179.25 180.07 2d5a h ASP 121 N 1.03 0.33 -0.76 0.00 3.58 -0.68 -0.67 116.42 119.25 2d5a h ASP 121 Ca 0.21 -0.31 0.10 0.00 0.42 0.00 0.00 57.03 57.45 2d5a h ASP 121 Cb 0.43 -0.09 -0.05 0.00 1.72 0.00 0.00 39.33 41.34 2d5a h ASP 121 CO 0.01 0.56 0.50 -0.33 -2.88 0.00 0.00 179.24 177.10 2d5a h GLU 122 N 0.09 0.63 0.00 0.28 5.08 -0.81 -0.32 114.58 119.53 2d5a h GLU 122 Ca 0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2d5a h GLU 122 Cb 0.39 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2d5a h GLU 122 CO 0.01 0.41 -0.09 0.00 -1.00 0.00 0.00 179.01 178.35 2d5a n ALA 123 N -2.46 2.52 -0.12 3.43 0.00 -0.82 -4.93 120.51 118.12 2d5a n ALA 123 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2d5a n ALA 123 Cb 0.36 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2d5a n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d5a n GLY 124 N 1.48 0.87 3.85 0.00 0.00 -0.13 -5.07 105.19 106.19 2d5a n GLY 124 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2d5a n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d5a s LEU 125 N 0.00 3.62 0.13 0.99 1.43 -0.32 -5.01 118.68 119.52 2d5a s LEU 125 Ca 0.00 1.50 -0.30 0.00 -1.03 0.00 0.00 54.13 54.30 2d5a s LEU 125 Cb 0.00 -4.44 -0.06 0.00 0.03 0.00 0.00 46.19 41.72 2d5a s LEU 125 CO 0.00 -0.59 1.00 -0.63 0.23 0.00 0.00 176.35 176.37 2d5a s ILE 126 N -2.64 4.29 -0.16 -0.59 1.01 -0.30 -4.52 121.20 118.29 2d5a s ILE 126 Ca 0.58 1.94 -0.01 0.00 0.00 0.00 0.00 60.65 63.15 2d5a s ILE 126 Cb -0.10 -4.24 -0.00 0.00 0.01 0.00 0.00 42.46 38.13 2d5a s ILE 126 CO 0.33 0.31 -0.13 -0.63 0.00 0.00 0.00 174.94 174.82 2d5a s ILE 127 N -0.11 2.84 -0.11 2.92 1.01 -1.26 -0.62 121.20 125.88 2d5a s ILE 127 Ca 0.48 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 60.42 2d5a s ILE 127 Cb -0.25 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 2d5a s ILE 127 CO 0.31 0.50 -0.08 -0.69 0.00 0.00 0.00 174.94 174.98 2d5a s VAL 128 N 0.89 3.52 0.03 2.92 1.01 -0.12 -4.89 120.40 123.75 2d5a s VAL 128 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2d5a s VAL 128 Cb -0.15 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 2d5a s VAL 128 CO -0.01 0.55 -0.04 0.00 0.00 0.00 0.00 175.10 175.60 2d5a s ALA 129 N -0.17 0.24 -1.51 5.51 0.00 -1.26 -0.87 121.76 123.69 2d5a s ALA 129 Ca 0.02 -0.67 -0.13 0.00 0.00 0.00 0.00 51.96 51.18 2d5a s ALA 129 Cb -0.13 0.13 0.08 0.00 0.00 0.00 0.00 23.12 23.20 2d5a s ALA 129 CO 0.03 -0.14 0.98 -1.71 0.00 0.00 0.00 175.76 174.92 2d5a n ASN 130 N 1.47 -4.69 -4.11 0.00 4.05 -0.95 -4.64 115.26 106.39 2d5a n ASN 130 Ca -0.23 -0.77 -0.09 0.00 0.45 0.00 0.00 54.58 53.94 2d5a n ASN 130 Cb 0.55 -3.97 -0.09 0.00 1.23 0.00 0.00 39.78 37.50 2d5a n ASN 130 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 2d5a s ARG 131 N -6.57 0.95 -0.08 1.20 0.52 -1.22 -4.90 118.95 108.86 2d5a s ARG 131 Ca 0.62 -1.37 0.01 0.00 -0.52 0.00 0.00 55.73 54.47 2d5a s ARG 131 Cb -0.31 0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.40 2d5a s ARG 131 CO 0.82 -0.28 -0.09 0.00 0.02 0.00 0.00 175.30 175.77 2d5a h MET 133 N 5.58 0.82 0.25 0.00 0.00 -1.99 0.01 114.93 119.62 2d5a h MET 133 Ca -0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 59.70 59.08 2d5a h MET 133 Cb 1.17 -0.12 0.00 0.00 0.00 0.00 0.00 31.60 32.65 2d5a h MET 133 CO 0.53 0.74 -0.12 1.98 0.00 0.00 0.00 176.91 180.04 2d5a h MET 134 N 0.79 -0.33 -0.64 1.72 1.85 -1.95 -0.23 114.93 116.15 2d5a h MET 134 Ca 0.17 0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.27 2d5a h MET 134 Cb 0.30 0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.37 2d5a h MET 134 CO -0.00 -0.08 0.34 0.00 -0.40 0.00 0.00 176.91 176.78 2d5a h ARG 135 N -0.55 0.90 -0.58 0.39 2.47 -1.93 -0.23 114.38 114.85 2d5a h ARG 135 Ca -0.03 -0.11 -0.07 0.00 -1.26 0.00 0.00 59.98 58.50 2d5a h ARG 135 Cb 0.41 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 2d5a h ARG 135 CO 0.06 0.68 0.07 0.93 0.56 0.00 0.00 179.97 182.27 2d5a h GLU 136 N 0.87 0.94 -0.30 0.04 4.39 -1.04 0.06 114.58 119.55 2d5a h GLU 136 Ca 0.22 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2d5a h GLU 136 Cb 0.05 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2d5a h GLU 136 CO -0.03 0.88 0.15 1.25 -1.16 0.00 0.00 179.01 180.09 2d5a h HIS 137 N 0.88 0.43 -0.62 4.33 2.76 -0.60 0.92 115.15 123.25 2d5a h HIS 137 Ca 0.18 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 2d5a h HIS 137 Cb 0.42 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.21 2d5a h HIS 137 CO 0.03 0.38 0.37 0.93 -1.30 0.00 0.00 177.93 178.34 2d5a h GLU 138 N 0.35 0.84 -0.36 5.26 5.08 -0.68 0.18 114.58 125.25 2d5a h GLU 138 Ca 0.10 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 2d5a h GLU 138 Cb 0.11 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2d5a h GLU 138 CO -0.01 0.60 -0.22 -0.09 -1.00 0.00 0.00 179.01 178.28 2d5a h ARG 139 N 0.83 0.70 0.00 2.33 2.43 -0.73 -2.95 114.38 117.00 2d5a h ARG 139 Ca 0.22 -0.28 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 2d5a h ARG 139 Cb -0.02 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 2d5a h ARG 139 CO -0.04 0.87 -1.90 1.28 -1.51 0.00 0.00 179.97 178.67 2d5a n LEU 140 N -4.12 0.00 0.00 3.80 4.77 0.29 -4.60 117.00 117.15 2d5a n LEU 140 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2d5a n LEU 140 Cb 0.42 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2d5a n LEU 140 CO 0.44 0.18 0.29 0.18 -1.33 0.00 0.00 177.39 177.15 2d5a n LEU 141 N -2.31 1.15 0.00 2.23 4.77 0.59 -5.04 117.00 118.38 2d5a n LEU 141 Ca -0.14 -1.15 0.09 0.00 -0.03 0.00 0.00 56.01 54.79 2d5a n LEU 141 Cb 0.70 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 42.32 2d5a n LEU 141 CO 0.34 0.29 0.72 0.61 -1.33 0.00 0.00 177.39 178.02