#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8m s SER 2 N 0.00 -0.35 -0.14 1.61 1.04 -1.26 -5.07 113.70 109.52 2d8m s SER 2 Ca 0.00 0.67 -0.03 0.00 0.48 0.00 0.00 55.95 57.07 2d8m s SER 2 Cb 0.00 0.72 -0.08 0.00 0.10 0.00 0.00 66.02 66.76 2d8m s SER 2 CO 0.00 -0.12 -0.16 -1.54 0.98 0.00 0.00 173.24 172.41 2d8m n SER 3 N 2.18 2.00 -0.64 7.02 3.41 -1.26 -5.11 113.62 121.21 2d8m n SER 3 Ca -0.12 0.05 0.08 0.00 -0.26 0.00 0.00 58.87 58.62 2d8m n SER 3 Cb 0.56 -0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 64.15 2d8m n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8m n GLY 4 N 2.47 -2.56 3.45 5.00 0.00 -1.26 -5.05 105.19 107.23 2d8m n GLY 4 Ca -0.27 -1.30 -0.17 0.00 0.00 0.00 0.00 46.02 44.29 2d8m n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8m s SER 5 N -5.77 -0.54 -0.16 1.61 0.01 -1.26 -5.18 113.70 102.41 2d8m s SER 5 Ca 0.00 0.59 -0.25 0.00 1.31 0.00 0.00 55.95 57.60 2d8m s SER 5 Cb 0.00 0.53 0.06 0.00 0.21 0.00 0.00 66.02 66.82 2d8m s SER 5 CO 0.00 -0.54 0.64 -0.44 0.41 0.00 0.00 173.24 173.31 2d8m s SER 6 N -1.13 -0.64 0.00 2.44 0.01 -1.26 -5.16 113.70 107.96 2d8m s SER 6 Ca -0.11 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.18 2d8m s SER 6 Cb -0.02 0.99 0.00 0.00 0.21 0.00 0.00 66.02 67.21 2d8m s SER 6 CO 0.08 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2d8m n GLY 7 N 2.01 3.09 2.80 3.44 0.00 -1.26 -5.01 105.19 110.26 2d8m n GLY 7 Ca -0.16 -1.88 -0.28 0.00 0.00 0.00 0.00 46.02 43.70 2d8m n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d8m s GLU 8 N -2.15 2.12 -0.56 1.61 8.01 -1.26 -5.06 118.70 121.40 2d8m s GLU 8 Ca 0.00 -3.04 -0.27 0.00 0.01 0.00 0.00 54.97 51.67 2d8m s GLU 8 Cb 0.00 -3.02 -0.02 0.00 -4.31 0.00 0.00 34.13 26.78 2d8m s GLU 8 CO 0.00 -1.29 1.83 -1.25 0.01 0.00 0.00 175.26 174.56 2d8m s PRO 9 N -1.06 2.78 -0.23 0.39 0.04 -1.26 -4.81 135.00 130.85 2d8m s PRO 9 Ca 0.26 0.75 0.14 0.00 0.04 0.00 0.00 61.00 62.18 2d8m s PRO 9 Cb -0.05 -4.34 0.46 0.00 0.04 0.00 0.00 34.50 30.61 2d8m s PRO 9 CO -0.16 -2.55 1.17 -2.13 0.04 0.00 0.00 177.00 173.38 2d8m n ARG 10 N 9.02 2.26 -1.03 4.56 0.63 -1.26 -5.10 116.66 125.75 2d8m n ARG 10 Ca 0.21 -3.55 -0.36 0.00 -0.92 0.00 0.00 57.85 53.23 2d8m n ARG 10 Cb 0.51 -1.68 -0.02 0.00 0.45 0.00 0.00 32.46 31.71 2d8m n ARG 10 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2d8m n ARG 11 N -0.61 0.00 0.01 -0.14 0.00 -1.26 -4.88 116.66 109.78 2d8m n ARG 11 Ca 0.25 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.97 2d8m n ARG 11 Cb 0.89 -0.76 -0.09 0.00 -0.00 0.00 0.00 32.46 32.50 2d8m n ARG 11 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2d8m h PRO 12 N 0.84 -0.07 -2.26 2.89 0.13 -2.01 -3.46 132.00 128.07 2d8m h PRO 12 Ca -0.22 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.85 2d8m h PRO 12 Cb 1.05 0.02 -0.21 0.00 0.13 0.00 0.00 31.00 31.98 2d8m h PRO 12 CO 0.42 0.39 0.02 1.03 -0.23 0.00 0.00 178.00 179.63 2d8m s ARG 13 N -4.21 0.78 -1.60 0.86 0.52 -1.26 -4.94 118.95 109.10 2d8m s ARG 13 Ca -0.15 0.67 -0.06 0.00 -0.52 0.00 0.00 55.73 55.67 2d8m s ARG 13 Cb 0.02 0.37 0.06 0.00 0.52 0.00 0.00 34.95 35.92 2d8m s ARG 13 CO 0.64 -0.14 0.27 0.00 0.02 0.00 0.00 175.30 176.09 2d8m n ALA 14 N 2.31 -1.78 -1.00 2.13 0.00 -1.26 -4.91 120.51 115.99 2d8m n ALA 14 Ca -0.15 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2d8m n ALA 14 Cb 0.56 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2d8m n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d8m n GLY 15 N -2.06 -2.84 0.00 0.00 0.00 -1.26 -4.71 105.19 94.32 2d8m n GLY 15 Ca -0.20 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 44.94 2d8m n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8m n PRO 16 N 0.00 0.45 0.04 1.61 -0.04 -1.26 -3.53 135.00 132.28 2d8m n PRO 16 Ca 0.00 0.02 -0.03 0.00 -0.04 0.00 0.00 63.50 63.45 2d8m n PRO 16 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 2d8m n PRO 16 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2d8m h GLU 17 N 0.00 -0.16 -0.96 0.54 4.81 -1.89 -0.14 114.58 116.78 2d8m h GLU 17 Ca 0.00 0.01 0.27 0.00 -0.13 0.00 0.00 59.36 59.51 2d8m h GLU 17 Cb 0.02 0.04 -0.17 0.00 0.63 0.00 0.00 28.75 29.26 2d8m h GLU 17 CO 0.00 -0.11 0.09 1.49 -0.73 0.00 0.00 179.01 179.75 2d8m h GLU 18 N -0.61 0.04 -0.03 1.92 4.57 -1.84 0.34 114.58 118.97 2d8m h GLU 18 Ca -0.02 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 2d8m h GLU 18 Cb 0.13 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2d8m h GLU 18 CO 0.03 0.02 -0.13 -0.07 -1.18 0.00 0.00 179.01 177.68 2d8m h LEU 19 N 0.04 0.17 -2.49 1.64 -0.00 -1.72 -3.15 115.31 109.80 2d8m h LEU 19 Ca 0.60 -0.66 0.01 0.00 -0.00 0.00 0.00 57.88 57.83 2d8m h LEU 19 Cb 1.26 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 41.87 2d8m h LEU 19 CO -0.86 0.80 0.15 1.23 -0.00 0.00 0.00 178.44 179.76 2d8m h GLY 20 N -0.45 0.00 -0.37 0.83 0.00 0.17 0.37 103.07 103.61 2d8m h GLY 20 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2d8m h GLY 20 CO 0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.85 2d8m n LYS 21 N -3.20 1.49 -0.08 4.80 4.76 0.92 -3.17 118.16 123.68 2d8m n LYS 21 Ca -0.02 -0.74 -0.08 0.00 -2.87 0.00 0.00 58.31 54.61 2d8m n LYS 21 Cb 0.23 -1.35 -0.03 0.00 -1.84 0.00 0.00 35.03 32.04 2d8m n LYS 21 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2d8m n ILE 22 N -0.04 1.45 -1.56 -0.18 5.41 0.13 -4.54 119.36 120.03 2d8m n ILE 22 Ca 0.15 0.16 -0.33 0.00 1.00 0.00 0.00 62.75 63.74 2d8m n ILE 22 Cb 0.24 -2.34 0.06 0.00 -0.71 0.00 0.00 39.64 36.89 2d8m n ILE 22 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2d8m n LEU 23 N -4.55 6.99 -4.61 1.39 4.77 -0.07 -4.88 117.00 116.04 2d8m n LEU 23 Ca -0.12 -4.46 -0.43 0.00 -0.03 0.00 0.00 56.01 50.97 2d8m n LEU 23 Cb 0.38 -0.83 -0.03 0.00 -2.33 0.00 0.00 43.42 40.62 2d8m n LEU 23 CO 0.14 1.66 1.65 -1.58 -1.33 0.00 0.00 177.39 177.93 2d8m s GLN 24 N -3.79 3.46 0.00 3.23 2.00 -1.19 -1.89 119.66 121.48 2d8m s GLN 24 Ca 0.60 1.92 0.00 0.00 -2.00 0.00 0.00 55.36 55.89 2d8m s GLN 24 Cb 0.48 -4.24 0.00 0.00 0.80 0.00 0.00 33.01 30.05 2d8m s GLN 24 CO -0.03 -1.72 0.00 0.41 -0.50 0.00 0.00 175.29 173.44 2d8m n GLY 25 N 5.29 1.15 3.34 2.59 0.00 -1.26 -5.08 105.19 111.22 2d8m n GLY 25 Ca 0.25 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 2d8m n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d8m s VAL 26 N -2.00 2.56 -0.29 1.61 1.01 -0.79 -5.02 120.40 117.48 2d8m s VAL 26 Ca 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 2d8m s VAL 26 Cb 0.00 -2.00 0.05 0.00 0.00 0.00 0.00 36.38 34.43 2d8m s VAL 26 CO 0.00 0.56 -0.02 -0.69 0.00 0.00 0.00 175.10 174.95 2d8m s VAL 27 N -0.08 2.87 0.11 2.92 1.01 -1.26 -0.47 120.40 125.50 2d8m s VAL 27 Ca -0.04 -1.39 0.04 0.00 0.00 0.00 0.00 61.98 60.59 2d8m s VAL 27 Cb -0.14 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2d8m s VAL 27 CO 0.04 -0.07 0.08 0.68 0.00 0.00 0.00 175.10 175.83 2d8m s VAL 28 N 1.24 4.39 -0.07 2.92 -7.23 0.70 -1.63 120.40 120.72 2d8m s VAL 28 Ca -0.05 -0.94 0.03 0.00 -1.81 0.00 0.00 61.98 59.20 2d8m s VAL 28 Cb -0.20 -3.16 0.01 0.00 0.56 0.00 0.00 36.38 33.60 2d8m s VAL 28 CO -0.02 0.03 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.97 2d8m s VAL 29 N -1.51 1.32 -0.16 1.32 1.01 -1.23 -2.26 120.40 118.88 2d8m s VAL 29 Ca 0.29 -0.58 -0.28 0.00 0.00 0.00 0.00 61.98 61.41 2d8m s VAL 29 Cb -0.11 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 2d8m s VAL 29 CO 0.22 0.40 0.94 -0.76 0.00 0.00 0.00 175.10 175.89 2d8m s LEU 30 N 0.62 4.18 -0.22 3.92 1.43 -1.23 -1.67 118.68 125.71 2d8m s LEU 30 Ca -0.15 1.34 -0.05 0.00 -1.03 0.00 0.00 54.13 54.24 2d8m s LEU 30 Cb -0.16 -3.41 0.08 0.00 0.03 0.00 0.00 46.19 42.73 2d8m s LEU 30 CO 0.05 -0.47 0.11 -0.44 0.23 0.00 0.00 176.35 175.82 2d8m s SER 31 N 1.15 2.85 0.00 2.29 0.01 -1.00 -4.85 113.70 114.14 2d8m s SER 31 Ca 0.43 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.79 2d8m s SER 31 Cb -0.17 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.77 2d8m s SER 31 CO 0.13 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.00 2d8m n GLY 32 N 5.26 1.04 3.21 3.44 0.00 -1.26 -3.47 105.19 113.41 2d8m n GLY 32 Ca -0.07 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 2d8m n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2d8m s PHE 33 N -2.04 1.49 -0.04 1.61 0.08 -1.26 -4.66 117.98 113.15 2d8m s PHE 33 Ca 0.00 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.64 2d8m s PHE 33 Cb 0.00 -0.84 0.03 0.00 -0.57 0.00 0.00 43.02 41.63 2d8m s PHE 33 CO 0.00 0.11 -0.01 1.14 -0.10 0.00 0.00 175.22 176.35 2d8m s GLN 34 N -1.61 0.49 0.75 0.44 -2.07 -1.26 -4.74 119.66 111.65 2d8m s GLN 34 Ca 0.03 0.02 -0.16 0.00 -1.82 0.00 0.00 55.36 53.43 2d8m s GLN 34 Cb -0.09 -0.64 -0.00 0.00 -1.09 0.00 0.00 33.01 31.19 2d8m s GLN 34 CO 0.03 -0.13 0.76 0.27 -1.32 0.00 0.00 175.29 174.90 2d8m n ASN 35 N 4.19 -0.37 0.23 12.60 0.23 -1.26 -1.78 115.26 129.10 2d8m n ASN 35 Ca -0.24 0.60 0.11 0.00 -0.53 0.00 0.00 54.58 54.52 2d8m n ASN 35 Cb 0.50 -1.32 0.54 0.00 -2.08 0.00 0.00 39.78 37.42 2d8m n ASN 35 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2d8m h PRO 36 N -0.47 0.00 -0.91 -0.53 0.13 -2.01 -3.43 132.00 124.77 2d8m h PRO 36 Ca -0.46 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.83 2d8m h PRO 36 Cb 1.33 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.30 2d8m h PRO 36 CO 0.44 0.19 -0.32 0.35 -0.23 0.00 0.00 178.00 178.44 2d8m h PHE 37 N 0.00 -0.82 -0.28 1.56 3.57 -1.84 0.16 116.94 119.30 2d8m h PHE 37 Ca -0.00 0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.66 2d8m h PHE 37 Cb 0.64 0.50 -0.08 0.00 2.79 0.00 0.00 35.95 39.79 2d8m h PHE 37 CO 0.00 -0.40 -0.30 -0.09 -2.23 0.00 0.00 178.31 175.29 2d8m h ARG 38 N -0.02 -0.28 0.69 1.11 2.43 -1.63 0.50 114.38 117.17 2d8m h ARG 38 Ca 0.37 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.54 2d8m h ARG 38 Cb 0.63 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2d8m h ARG 38 CO -0.93 -0.19 -0.49 0.77 -1.51 0.00 0.00 179.97 177.62 2d8m h SER 39 N -0.29 -1.27 -0.71 -3.80 0.02 -1.07 -1.18 113.55 105.25 2d8m h SER 39 Ca 0.14 0.08 0.13 0.00 -0.84 0.00 0.00 61.79 61.31 2d8m h SER 39 Cb 0.52 0.39 -0.13 0.00 0.14 0.00 0.00 62.40 63.31 2d8m h SER 39 CO -0.44 -0.71 -0.25 -0.08 -1.14 0.00 0.00 176.83 174.20 2d8m h GLU 40 N -1.12 -0.06 -0.51 3.45 4.81 -0.78 0.17 114.58 120.54 2d8m h GLU 40 Ca -0.09 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.21 2d8m h GLU 40 Cb 0.92 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.26 2d8m h GLU 40 CO 0.05 -0.04 0.20 1.25 -0.73 0.00 0.00 179.01 179.74 2d8m h LEU 41 N -0.06 0.22 0.09 1.64 5.85 -0.70 -2.02 115.31 120.33 2d8m h LEU 41 Ca 0.31 0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.10 2d8m h LEU 41 Cb 0.55 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2d8m h LEU 41 CO -0.75 0.16 -0.13 -0.09 -0.34 0.00 0.00 178.44 177.28 2d8m h ARG 42 N 0.39 -0.26 -0.32 1.25 2.43 0.52 -2.04 114.38 116.35 2d8m h ARG 42 Ca 0.24 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.50 2d8m h ARG 42 Cb 0.24 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.77 2d8m h ARG 42 CO -0.23 -0.17 -0.27 0.22 -1.51 0.00 0.00 179.97 178.01 2d8m h ASP 43 N -0.27 -0.87 -0.67 -3.80 1.82 -0.65 -0.82 116.42 111.17 2d8m h ASP 43 Ca 0.02 0.16 0.12 0.00 -0.39 0.00 0.00 57.03 56.94 2d8m h ASP 43 Cb 0.28 0.42 -0.08 0.00 0.68 0.00 0.00 39.33 40.62 2d8m h ASP 43 CO -0.07 -0.29 0.25 0.11 -1.61 0.00 0.00 179.24 177.63 2d8m h LYS 44 N -0.24 0.40 -0.64 0.28 1.57 -1.16 0.24 116.57 117.03 2d8m h LYS 44 Ca 0.16 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2d8m h LYS 44 Cb 0.49 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 2d8m h LYS 44 CO -0.45 0.26 0.42 0.00 -0.57 0.00 0.00 179.45 179.11 2d8m h ALA 45 N 1.48 1.59 -0.56 3.86 0.00 -0.46 -2.22 119.26 122.94 2d8m h ALA 45 Ca 0.36 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 2d8m h ALA 45 Cb 0.49 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2d8m h ALA 45 CO -0.36 0.36 0.13 -0.07 0.00 0.00 0.00 179.25 179.31 2d8m h LEU 46 N 0.82 0.87 -0.24 0.00 3.38 0.21 -2.49 115.31 117.86 2d8m h LEU 46 Ca 0.24 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2d8m h LEU 46 Cb -0.02 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.43 2d8m h LEU 46 CO -0.06 0.88 -0.25 -0.33 0.09 0.00 0.00 178.44 178.77 2d8m h GLU 47 N 0.81 -0.26 0.00 1.13 4.39 -0.76 0.42 114.58 120.31 2d8m h GLU 47 Ca 0.18 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2d8m h GLU 47 Cb 0.36 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2d8m h GLU 47 CO 0.00 -0.17 0.09 1.28 -1.16 0.00 0.00 179.01 179.05 2d8m n LEU 48 N -5.38 0.28 0.00 1.33 4.77 -1.18 -0.62 117.00 116.20 2d8m n LEU 48 Ca -0.01 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 2d8m n LEU 48 Cb 0.30 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2d8m n LEU 48 CO 0.14 -0.68 0.00 0.61 -1.33 0.00 0.00 177.39 176.14 2d8m n GLY 49 N -1.35 0.94 3.94 -0.72 0.00 0.15 -0.89 105.19 107.26 2d8m n GLY 49 Ca -0.01 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 2d8m n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d8m s ALA 50 N -2.00 3.90 -0.12 4.61 0.00 -0.95 -4.15 121.76 123.05 2d8m s ALA 50 Ca 0.00 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 50.80 2d8m s ALA 50 Cb 0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 2d8m s ALA 50 CO 0.00 0.42 0.44 0.15 0.00 0.00 0.00 175.76 176.78 2d8m s LYS 51 N -3.44 4.32 -0.36 0.00 3.01 0.38 -4.32 119.74 119.33 2d8m s LYS 51 Ca 0.36 0.39 -0.13 0.00 -1.01 0.00 0.00 55.97 55.58 2d8m s LYS 51 Cb -0.11 -3.43 -0.00 0.00 -1.01 0.00 0.00 37.83 33.28 2d8m s LYS 51 CO 0.29 0.19 0.24 -0.47 0.51 0.00 0.00 175.35 176.11 2d8m s TYR 52 N 0.55 3.23 -0.01 3.18 5.04 -1.25 -0.22 117.35 127.87 2d8m s TYR 52 Ca 0.24 -0.43 0.02 0.00 -2.44 0.00 0.00 57.07 54.46 2d8m s TYR 52 Cb -0.15 -2.48 -0.03 0.00 0.35 0.00 0.00 41.96 39.64 2d8m s TYR 52 CO 0.09 -0.46 -0.02 1.03 -1.34 0.00 0.00 175.55 174.85 2d8m s ARG 53 N 1.68 2.73 0.41 4.97 1.81 -0.96 -5.01 118.95 124.58 2d8m s ARG 53 Ca 0.05 -0.62 0.20 0.00 -1.72 0.00 0.00 55.73 53.64 2d8m s ARG 53 Cb -0.18 -2.63 0.86 0.00 -0.45 0.00 0.00 34.95 32.55 2d8m s ARG 53 CO 0.09 0.63 1.82 -1.00 -0.68 0.00 0.00 175.30 176.17 2d8m h PRO 54 N 4.50 0.00 -4.11 3.54 0.13 -1.91 -3.26 132.00 130.88 2d8m h PRO 54 Ca -0.49 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 2d8m h PRO 54 Cb 1.17 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2d8m h PRO 54 CO 0.56 0.31 -0.49 -0.51 -0.23 0.00 0.00 178.00 177.64 2d8m s ASP 55 N -6.45 0.20 -0.28 1.44 1.01 -1.26 -4.85 116.67 106.48 2d8m s ASP 55 Ca -0.01 -0.98 -0.28 0.00 0.71 0.00 0.00 52.55 51.99 2d8m s ASP 55 Cb 0.12 0.34 -0.05 0.00 1.01 0.00 0.00 42.92 44.35 2d8m s ASP 55 CO 0.67 -0.78 2.20 0.86 0.21 0.00 0.00 175.17 178.34 2d8m s TRP 56 N -3.98 1.22 0.36 4.23 -0.11 -1.26 -4.96 118.94 114.45 2d8m s TRP 56 Ca 0.17 0.71 0.07 0.00 1.22 0.00 0.00 56.10 58.28 2d8m s TRP 56 Cb 0.06 -3.89 -0.00 0.00 -1.50 0.00 0.00 33.47 28.13 2d8m s TRP 56 CO -0.02 -3.70 0.49 0.95 -4.62 0.00 0.00 176.95 170.05 2d8m s THR 57 N 8.81 3.67 0.21 5.86 -4.23 -1.26 -5.01 115.64 123.69 2d8m s THR 57 Ca 0.98 -1.02 0.24 0.00 -1.18 0.00 0.00 61.69 60.70 2d8m s THR 57 Cb -0.29 -3.26 0.23 0.00 1.34 0.00 0.00 72.50 70.53 2d8m s THR 57 CO 0.33 -0.10 1.87 0.03 -0.54 0.00 0.00 174.62 176.21 2d8m h ARG 58 N 0.83 0.00 0.00 3.99 -0.00 -2.04 -2.40 114.38 114.76 2d8m h ARG 58 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.04 2d8m h ARG 58 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.23 2d8m h ARG 58 CO 0.51 0.22 -0.36 -0.25 0.00 0.00 0.00 179.97 180.08 2d8m n ASP 59 N -3.47 0.68 -4.69 7.04 9.92 -1.26 -4.90 116.55 119.87 2d8m n ASP 59 Ca -0.00 0.27 -0.43 0.00 -0.53 0.00 0.00 54.79 54.10 2d8m n ASP 59 Cb 0.39 -0.20 -0.01 0.00 -0.64 0.00 0.00 41.12 40.66 2d8m n ASP 59 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2d8m n SER 60 N -2.08 2.72 -0.07 -2.24 7.64 -0.91 -4.71 113.62 113.97 2d8m n SER 60 Ca 0.04 1.20 -0.11 0.00 1.01 0.00 0.00 58.87 61.02 2d8m n SER 60 Cb 0.42 -1.48 -0.06 0.00 -1.01 0.00 0.00 64.21 62.09 2d8m n SER 60 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2d8m n THR 61 N 0.40 0.79 -4.34 0.44 -2.24 -0.65 -4.96 114.28 103.73 2d8m n THR 61 Ca 0.05 -0.27 -0.18 0.00 -2.27 0.00 0.00 64.05 61.38 2d8m n THR 61 Cb 0.36 -1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 67.29 2d8m n THR 61 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2d8m s HIS 62 N -2.27 1.66 -0.17 4.78 3.76 -0.84 -3.76 115.29 118.44 2d8m s HIS 62 Ca -0.19 -0.69 0.01 0.00 -0.15 0.00 0.00 55.06 54.04 2d8m s HIS 62 Cb 0.06 -0.85 0.02 0.00 1.11 0.00 0.00 32.58 32.91 2d8m s HIS 62 CO 0.30 0.23 -0.20 -1.17 -0.85 0.00 0.00 174.74 173.05 2d8m s LEU 63 N -3.31 2.13 -0.70 0.89 1.98 -0.36 -3.51 118.68 115.80 2d8m s LEU 63 Ca 0.24 -0.64 -0.20 0.00 -2.89 0.00 0.00 54.13 50.64 2d8m s LEU 63 Cb 0.02 -1.47 0.10 0.00 0.66 0.00 0.00 46.19 45.49 2d8m s LEU 63 CO 0.07 0.02 0.92 -0.63 -1.89 0.00 0.00 176.35 174.83 2d8m s ILE 64 N 1.19 4.58 -0.09 6.68 -1.09 -0.67 -1.66 121.20 130.13 2d8m s ILE 64 Ca 0.02 -0.85 -0.03 0.00 -2.23 0.00 0.00 60.65 57.57 2d8m s ILE 64 Cb -0.14 -4.64 -0.03 0.00 -1.58 0.00 0.00 42.46 36.07 2d8m s ILE 64 CO -0.11 -1.36 0.04 0.00 -1.23 0.00 0.00 174.94 172.28 2d8m h ALA 66 N 5.07 0.32 -2.48 0.00 0.00 -1.82 -2.76 119.26 117.58 2d8m h ALA 66 Ca -0.52 -1.30 -0.09 0.00 0.00 0.00 0.00 54.91 53.01 2d8m h ALA 66 Cb 1.20 0.61 -0.23 0.00 0.00 0.00 0.00 17.79 19.37 2d8m h ALA 66 CO 0.55 1.20 -0.13 -0.59 0.00 0.00 0.00 179.25 180.28 2d8m s PHE 67 N -2.56 -0.60 1.21 0.00 -0.71 -1.26 -4.85 117.98 109.20 2d8m s PHE 67 Ca -0.20 1.41 -0.19 0.00 -1.04 0.00 0.00 56.93 56.91 2d8m s PHE 67 Cb 0.06 0.23 0.30 0.00 -1.21 0.00 0.00 43.02 42.40 2d8m s PHE 67 CO 0.80 -0.30 0.67 0.00 -1.34 0.00 0.00 175.22 175.05 2d8m n ALA 68 N 3.10 -4.09 -3.15 1.99 0.00 -1.26 -4.30 120.51 112.81 2d8m n ALA 68 Ca -0.15 -1.19 -0.15 0.00 0.00 0.00 0.00 53.44 51.95 2d8m n ALA 68 Cb 0.56 -0.11 0.06 0.00 0.00 0.00 0.00 19.45 19.97 2d8m n ALA 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2d8m n ASN 69 N -4.37 -3.52 -4.35 0.00 3.02 -1.26 -5.03 115.26 99.74 2d8m n ASN 69 Ca 0.11 -0.42 -0.20 0.00 -0.03 0.00 0.00 54.58 54.04 2d8m n ASN 69 Cb 0.47 -3.80 -0.10 0.00 -0.61 0.00 0.00 39.78 35.73 2d8m n ASN 69 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2d8m s THR 70 N -3.25 1.84 0.24 3.41 -4.23 -1.26 -5.04 115.64 107.35 2d8m s THR 70 Ca 0.20 -2.12 0.21 0.00 -1.18 0.00 0.00 61.69 58.81 2d8m s THR 70 Cb -0.09 -1.99 0.19 0.00 1.34 0.00 0.00 72.50 71.95 2d8m s THR 70 CO 0.52 -0.47 1.85 1.55 -0.54 0.00 0.00 174.62 177.53 2d8m h PRO 71 N 2.80 0.00 0.06 3.99 0.13 -1.96 -3.03 132.00 133.99 2d8m h PRO 71 Ca -0.40 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.41 2d8m h PRO 71 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2d8m h PRO 71 CO 0.58 0.28 -1.85 1.63 -0.23 0.00 0.00 178.00 178.41 2d8m n LYS 72 N -3.59 0.69 0.37 0.86 4.76 -1.26 -3.40 118.16 116.59 2d8m n LYS 72 Ca -0.01 0.28 -0.19 0.00 -2.87 0.00 0.00 58.31 55.52 2d8m n LYS 72 Cb 0.41 -1.75 -0.10 0.00 -1.84 0.00 0.00 35.03 31.76 2d8m n LYS 72 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 2d8m h TYR 73 N 0.03 -1.26 -0.35 2.13 3.20 -1.92 -1.61 116.97 117.19 2d8m h TYR 73 Ca -0.35 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.51 2d8m h TYR 73 Cb 2.03 0.46 -0.02 0.00 1.54 0.00 0.00 36.73 40.74 2d8m h TYR 73 CO 0.04 -0.68 0.22 1.03 -1.64 0.00 0.00 178.16 177.13 2d8m h SER 74 N -1.09 0.41 -0.22 -2.11 0.87 -1.73 -1.39 113.55 108.29 2d8m h SER 74 Ca -0.09 -0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.48 2d8m h SER 74 Cb 0.89 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.69 2d8m h SER 74 CO 0.05 0.32 -0.47 -0.61 -0.53 0.00 0.00 176.83 175.59 2d8m h GLN 75 N 0.47 -0.41 0.00 2.24 5.75 -1.55 0.42 115.11 122.04 2d8m h GLN 75 Ca 0.13 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 2d8m h GLN 75 Cb -0.03 0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.62 2d8m h GLN 75 CO -0.03 -0.27 0.00 0.28 -2.65 0.00 0.00 178.83 176.16 2d8m n VAL 76 N -4.98 0.90 0.01 2.39 0.31 -0.62 -2.62 118.33 113.73 2d8m n VAL 76 Ca -0.04 0.46 -0.05 0.00 -0.01 0.00 0.00 64.34 64.69 2d8m n VAL 76 Cb 0.31 -1.42 -0.04 0.00 -0.91 0.00 0.00 33.84 31.78 2d8m n VAL 76 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2d8m h LEU 77 N 0.00 -0.13 -1.08 7.52 6.46 0.85 -1.89 115.31 127.05 2d8m h LEU 77 Ca 0.00 -0.17 0.08 0.00 -0.12 0.00 0.00 57.88 57.67 2d8m h LEU 77 Cb 0.21 0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 40.10 2d8m h LEU 77 CO 0.00 0.42 0.62 1.23 -0.62 0.00 0.00 178.44 180.09 2d8m h GLY 78 N -1.01 1.45 0.69 3.75 0.00 -0.60 -1.53 103.07 105.82 2d8m h GLY 78 Ca -0.02 -0.44 0.10 0.00 0.00 0.00 0.00 47.33 46.98 2d8m h GLY 78 CO 0.03 0.28 0.58 1.41 0.00 0.00 0.00 176.54 178.84 2d8m h LEU 79 N 1.07 0.78 0.00 3.11 3.38 -1.63 -3.46 115.31 118.57 2d8m h LEU 79 Ca 0.43 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.42 2d8m h LEU 79 Cb 0.26 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2d8m h LEU 79 CO -0.18 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.41 2d8m n GLY 80 N -1.41 1.51 3.85 0.83 0.00 -0.58 -5.12 105.19 104.28 2d8m n GLY 80 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2d8m n GLY 80 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2d8m s GLY 81 N -2.00 1.65 -0.68 -0.02 0.00 -0.71 -4.99 107.32 100.57 2d8m s GLY 81 Ca 0.00 -0.14 -0.25 0.00 0.00 0.00 0.00 44.72 44.34 2d8m s GLY 81 CO 0.00 0.19 1.10 -1.60 0.00 0.00 0.00 173.10 172.79 2d8m s ARG 82 N -5.20 3.18 -0.18 2.90 3.52 -1.25 -4.72 118.95 117.21 2d8m s ARG 82 Ca 0.57 -0.49 -0.19 0.00 -0.13 0.00 0.00 55.73 55.49 2d8m s ARG 82 Cb -0.12 -4.18 -0.03 0.00 -1.56 0.00 0.00 34.95 29.05 2d8m s ARG 82 CO 0.54 -1.91 0.52 0.42 -0.81 0.00 0.00 175.30 174.05 2d8m s ILE 83 N 4.76 5.12 0.08 4.11 1.01 -1.26 -1.22 121.20 133.79 2d8m s ILE 83 Ca 0.29 0.97 0.01 0.00 0.00 0.00 0.00 60.65 61.92 2d8m s ILE 83 Cb -0.13 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 2d8m s ILE 83 CO 0.14 0.21 -0.06 0.68 0.00 0.00 0.00 174.94 175.91 2d8m s VAL 84 N 1.39 0.56 0.70 2.92 -7.23 -0.67 -3.00 120.40 115.08 2d8m s VAL 84 Ca 0.25 -1.72 -0.11 0.00 -1.81 0.00 0.00 61.98 58.59 2d8m s VAL 84 Cb -0.15 -1.40 0.01 0.00 0.56 0.00 0.00 36.38 35.39 2d8m s VAL 84 CO 0.10 -0.79 1.06 -0.13 -0.31 0.00 0.00 175.10 175.03 2d8m s ARG 85 N -3.35 2.92 0.52 4.82 0.52 -1.02 -2.20 118.95 121.15 2d8m s ARG 85 Ca 0.06 0.86 0.16 0.00 -0.52 0.00 0.00 55.73 56.29 2d8m s ARG 85 Cb 0.02 -1.99 1.25 0.00 0.52 0.00 0.00 34.95 34.75 2d8m s ARG 85 CO -0.05 -1.09 2.15 1.57 0.02 0.00 0.00 175.30 177.90 2d8m h LYS 86 N -0.71 0.02 -1.41 3.54 2.10 -1.81 -2.19 116.57 116.11 2d8m h LYS 86 Ca -0.44 -0.00 0.41 0.00 -2.00 0.00 0.00 60.65 58.62 2d8m h LYS 86 Cb 1.22 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 32.49 2d8m h LYS 86 CO 0.58 0.02 1.06 0.93 -2.00 0.00 0.00 179.45 180.04 2d8m h GLU 87 N 0.02 0.00 0.27 0.07 4.39 -1.92 0.21 114.58 117.63 2d8m h GLU 87 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2d8m h GLU 87 Cb -0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2d8m h GLU 87 CO -0.00 0.00 -0.14 2.35 -1.16 0.00 0.00 179.01 180.06 2d8m h TRP 88 N 0.00 -0.36 0.07 4.33 7.01 -1.77 0.13 115.95 125.36 2d8m h TRP 88 Ca 0.67 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.66 2d8m h TRP 88 Cb 2.79 0.12 0.00 0.00 -2.10 0.00 0.00 29.16 29.97 2d8m h TRP 88 CO 0.00 -0.22 -0.03 0.28 -2.79 0.00 0.00 178.44 175.68 2d8m h VAL 89 N -0.38 1.14 -0.05 2.65 2.07 -0.82 -0.61 116.25 120.25 2d8m h VAL 89 Ca -0.04 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 66.80 2d8m h VAL 89 Cb 0.29 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 2d8m h VAL 89 CO 0.06 0.18 -0.40 -0.07 0.02 0.00 0.00 177.57 177.35 2d8m h LEU 90 N -0.41 -1.24 0.80 2.57 3.38 -1.38 0.69 115.31 119.71 2d8m h LEU 90 Ca -0.01 0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2d8m h LEU 90 Cb 0.36 0.49 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2d8m h LEU 90 CO 0.01 -0.43 -0.42 0.44 0.09 0.00 0.00 178.44 178.13 2d8m h ASP 91 N -0.52 -1.02 -0.83 -0.43 5.19 -1.01 -1.47 116.42 116.32 2d8m h ASP 91 Ca 0.06 0.04 0.17 0.00 -0.62 0.00 0.00 57.03 56.69 2d8m h ASP 91 Cb 0.63 0.28 -0.16 0.00 0.18 0.00 0.00 39.33 40.26 2d8m h ASP 91 CO -0.34 -0.69 -0.17 0.00 -3.12 0.00 0.00 179.24 174.92 2d8m h HIS 93 N 0.01 -0.30 -0.87 0.00 -0.00 -0.69 1.57 115.15 114.88 2d8m h HIS 93 Ca 0.41 -0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.86 2d8m h HIS 93 Cb 0.66 0.10 -0.11 0.00 -0.00 0.00 0.00 27.41 28.07 2d8m h HIS 93 CO -0.61 -0.18 -0.57 -0.09 -0.00 0.00 0.00 177.93 176.48 2d8m h ARG 94 N -0.30 -0.07 0.00 5.26 9.65 -0.49 0.87 114.38 129.31 2d8m h ARG 94 Ca -0.03 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 2d8m h ARG 94 Cb 0.23 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2d8m h ARG 94 CO 0.04 -0.05 -0.16 0.52 2.80 0.00 0.00 179.97 183.12 2d8m h MET 95 N -0.07 0.00 -3.50 0.20 2.86 -0.50 -3.46 114.93 110.46 2d8m h MET 95 Ca 0.14 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.41 2d8m h MET 95 Cb 0.43 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.12 2d8m h MET 95 CO -0.85 0.16 -0.52 0.54 1.06 0.00 0.00 176.91 177.30 2d8m n ARG 96 N -3.58 -3.30 -4.50 1.72 1.74 0.53 -4.99 116.66 104.29 2d8m n ARG 96 Ca -0.01 0.85 -0.25 0.00 -0.77 0.00 0.00 57.85 57.67 2d8m n ARG 96 Cb 0.30 -5.45 -0.09 0.00 -1.02 0.00 0.00 32.46 26.20 2d8m n ARG 96 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2d8m s ARG 97 N -5.33 1.86 -0.89 5.56 1.70 -0.82 -4.91 118.95 116.12 2d8m s ARG 97 Ca 0.17 -2.12 -0.14 0.00 -0.47 0.00 0.00 55.73 53.17 2d8m s ARG 97 Cb -0.07 -0.64 0.21 0.00 -0.57 0.00 0.00 34.95 33.87 2d8m s ARG 97 CO 0.21 -0.42 0.89 0.50 -1.08 0.00 0.00 175.30 175.40 2d8m s ARG 98 N -3.76 3.69 0.38 3.89 3.52 -1.26 -4.64 118.95 120.78 2d8m s ARG 98 Ca 0.26 -2.44 -0.20 0.00 -0.13 0.00 0.00 55.73 53.22 2d8m s ARG 98 Cb 0.04 -4.55 -0.10 0.00 -1.56 0.00 0.00 34.95 28.78 2d8m s ARG 98 CO 0.15 -1.38 0.89 -0.51 -0.81 0.00 0.00 175.30 173.63 2d8m s LEU 99 N 0.47 4.05 -0.06 -0.88 1.43 -1.26 -5.01 118.68 117.42 2d8m s LEU 99 Ca 0.23 1.60 -0.30 0.00 -1.03 0.00 0.00 54.13 54.63 2d8m s LEU 99 Cb -0.09 -4.31 -0.05 0.00 0.03 0.00 0.00 46.19 41.78 2d8m s LEU 99 CO -0.09 -0.26 1.50 -2.16 0.23 0.00 0.00 176.35 175.57 2d8m s PRO 100 N -2.90 4.22 0.38 1.29 0.04 -1.26 -4.90 135.00 131.87 2d8m s PRO 100 Ca 0.57 2.02 0.21 0.00 0.04 0.00 0.00 61.00 63.84 2d8m s PRO 100 Cb -0.11 -3.82 0.46 0.00 0.04 0.00 0.00 34.50 31.07 2d8m s PRO 100 CO 0.16 -0.74 1.63 0.66 0.04 0.00 0.00 177.00 178.74 2d8m h SER 101 N 8.76 0.00 -0.61 6.66 4.64 -1.96 -3.20 113.55 127.85 2d8m h SER 101 Ca -0.36 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.09 2d8m h SER 101 Cb 1.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 2d8m h SER 101 CO 0.94 0.26 0.42 1.56 -0.87 0.00 0.00 176.83 179.15 2d8m h GLN 102 N 0.00 0.24 0.00 4.77 4.20 -1.98 0.41 115.11 122.76 2d8m h GLN 102 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2d8m h GLN 102 Cb 1.05 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.78 2d8m h GLN 102 CO 0.03 0.16 0.00 0.00 -0.67 0.00 0.00 178.83 178.36 2d8m h ARG 103 N 0.25 0.00 -0.48 1.46 3.08 -1.97 -3.04 114.38 113.68 2d8m h ARG 103 Ca 0.29 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.09 2d8m h ARG 103 Cb 0.79 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.69 2d8m h ARG 103 CO -0.06 0.00 0.04 0.66 -1.07 0.00 0.00 179.97 179.54 2d8m n TYR 104 N -2.49 1.48 -2.93 3.04 4.01 0.14 -4.99 117.16 115.42 2d8m n TYR 104 Ca 0.04 -1.69 -0.41 0.00 -0.16 0.00 0.00 57.90 55.67 2d8m n TYR 104 Cb 0.36 -0.58 -0.05 0.00 -0.31 0.00 0.00 39.34 38.76 2d8m n TYR 104 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2d8m s LEU 105 N -3.28 4.11 -0.17 7.72 1.43 -1.08 -2.44 118.68 124.96 2d8m s LEU 105 Ca 0.47 1.02 -0.20 0.00 -1.03 0.00 0.00 54.13 54.39 2d8m s LEU 105 Cb 0.42 -3.14 -0.17 0.00 0.03 0.00 0.00 46.19 43.33 2d8m s LEU 105 CO 0.01 -0.45 0.29 0.24 0.23 0.00 0.00 176.35 176.67 2d8m h MET 106 N 7.60 0.00 -6.17 1.70 2.86 -1.90 -3.44 114.93 115.58 2d8m h MET 106 Ca -0.25 0.00 -0.72 0.00 -2.06 0.00 0.00 59.70 56.67 2d8m h MET 106 Cb 1.11 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.78 2d8m h MET 106 CO 0.85 0.79 0.94 0.00 1.06 0.00 0.00 176.91 180.54 2d8m n ALA 107 N -3.18 -0.01 -0.01 6.32 0.00 -1.26 -4.68 120.51 117.68 2d8m n ALA 107 Ca -0.20 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2d8m n ALA 107 Cb 0.52 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2d8m n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d8m n GLY 108 N 4.24 0.53 0.00 0.00 0.00 -1.26 -2.35 105.19 106.35 2d8m n GLY 108 Ca 0.26 -0.87 0.07 0.00 0.00 0.00 0.00 46.02 45.48 2d8m n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8m n PRO 109 N 0.00 0.02 0.00 1.61 -0.04 -1.26 -4.98 135.00 130.35 2d8m n PRO 109 Ca 0.00 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2d8m n PRO 109 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2d8m n PRO 109 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d8m n GLY 110 N -0.03 0.18 2.80 0.55 0.00 -0.99 -5.00 105.19 102.70 2d8m n GLY 110 Ca 0.04 -1.28 -0.21 0.00 0.00 0.00 0.00 46.02 44.57 2d8m n GLY 110 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8m s SER 111 N -4.00 1.17 -1.04 1.61 1.04 -1.26 -5.02 113.70 106.20 2d8m s SER 111 Ca 0.00 -0.07 -0.10 0.00 0.48 0.00 0.00 55.95 56.26 2d8m s SER 111 Cb 0.00 -0.37 0.26 0.00 0.10 0.00 0.00 66.02 66.01 2d8m s SER 111 CO 0.00 -0.15 1.02 -0.55 0.98 0.00 0.00 173.24 174.54 2d8m s SER 112 N 1.56 7.15 -1.68 7.02 0.15 -1.26 -4.68 113.70 121.97 2d8m s SER 112 Ca -0.02 -3.37 -0.13 0.00 0.70 0.00 0.00 55.95 53.13 2d8m s SER 112 Cb -0.13 -2.20 0.12 0.00 -1.71 0.00 0.00 66.02 62.10 2d8m s SER 112 CO -0.03 -0.36 0.52 -1.20 1.20 0.00 0.00 173.24 173.37 2d8m n SER 113 N 3.01 -1.55 -4.01 5.45 7.64 -1.26 -4.90 113.62 117.99 2d8m n SER 113 Ca 0.21 -1.13 -0.31 0.00 1.01 0.00 0.00 58.87 58.65 2d8m n SER 113 Cb 0.41 -2.25 -0.14 0.00 -1.01 0.00 0.00 64.21 61.22 2d8m n SER 113 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2d8m s GLU 114 N -7.05 1.71 0.23 1.43 -1.05 -1.26 -5.08 118.70 107.63 2d8m s GLU 114 Ca 0.50 -2.10 -0.06 0.00 -0.15 0.00 0.00 54.97 53.16 2d8m s GLU 114 Cb -0.28 -3.30 -0.02 0.00 -0.44 0.00 0.00 34.13 30.08 2d8m s GLU 114 CO 0.96 -1.01 0.29 -1.21 0.95 0.00 0.00 175.26 175.25 2d8m s GLU 115 N 0.56 1.38 -0.44 -4.83 0.41 -1.26 -5.04 118.70 109.49 2d8m s GLU 115 Ca 0.13 -1.48 -0.29 0.00 -0.41 0.00 0.00 54.97 52.92 2d8m s GLU 115 Cb -0.21 0.36 0.02 0.00 -1.78 0.00 0.00 34.13 32.52 2d8m s GLU 115 CO -0.05 -0.52 1.24 -0.51 -0.49 0.00 0.00 175.26 174.93 2d8m s ASP 116 N -3.11 6.55 0.19 -0.19 1.01 -1.26 -4.90 116.67 114.97 2d8m s ASP 116 Ca 0.32 0.67 -0.08 0.00 0.71 0.00 0.00 52.55 54.17 2d8m s ASP 116 Cb 0.03 -2.55 0.11 0.00 1.01 0.00 0.00 42.92 41.53 2d8m s ASP 116 CO 0.11 -1.28 1.67 1.05 0.21 0.00 0.00 175.17 176.93 2d8m h GLU 117 N 9.66 1.06 -5.73 8.23 -0.00 -2.01 -3.35 114.58 122.43 2d8m h GLU 117 Ca -0.25 -0.32 -0.57 0.00 -0.00 0.00 0.00 59.36 58.23 2d8m h GLU 117 Cb 1.08 -0.11 -0.07 0.00 -0.00 0.00 0.00 28.75 29.65 2d8m h GLU 117 CO 1.10 1.02 1.85 0.00 -0.00 0.00 0.00 179.01 182.98 2d8m s ALA 118 N -5.06 2.84 -0.91 1.06 0.00 -1.26 -4.90 121.76 113.53 2d8m s ALA 118 Ca -0.11 -2.68 -0.25 0.00 0.00 0.00 0.00 51.96 48.92 2d8m s ALA 118 Cb 0.14 -4.66 -0.07 0.00 0.00 0.00 0.00 23.12 18.53 2d8m s ALA 118 CO 0.85 -3.91 2.02 0.45 0.00 0.00 0.00 175.76 175.16 2d8m s SER 119 N 4.94 4.92 -0.33 0.00 0.15 -1.26 -4.92 113.70 117.20 2d8m s SER 119 Ca 0.59 -0.64 -0.29 0.00 0.70 0.00 0.00 55.95 56.31 2d8m s SER 119 Cb 0.03 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2d8m s SER 119 CO 0.10 -2.96 1.06 -2.28 1.20 0.00 0.00 173.24 170.35 2d8m s HIS 120 N 10.94 3.13 0.79 3.44 5.04 -1.26 -5.01 115.29 132.36 2d8m s HIS 120 Ca 0.73 1.13 -0.13 0.00 -1.54 0.00 0.00 55.06 55.25 2d8m s HIS 120 Cb -0.07 -3.72 0.07 0.00 0.04 0.00 0.00 32.58 28.90 2d8m s HIS 120 CO 0.02 -0.80 1.20 0.45 -2.34 0.00 0.00 174.74 173.27 2d8m s SER 121 N 1.72 3.77 -0.27 9.88 0.15 -1.26 -5.04 113.70 122.65 2d8m s SER 121 Ca 0.45 2.33 -0.25 0.00 0.70 0.00 0.00 55.95 59.17 2d8m s SER 121 Cb -0.12 -2.58 0.13 0.00 -1.71 0.00 0.00 66.02 61.74 2d8m s SER 121 CO 0.17 -2.54 1.07 -0.83 1.20 0.00 0.00 173.24 172.30 2d8m s GLY 122 N -2.20 -0.11 0.14 9.45 0.00 -1.26 -5.17 107.32 108.17 2d8m s GLY 122 Ca 0.73 2.70 0.00 0.00 0.00 0.00 0.00 44.72 48.15 2d8m s GLY 122 CO 0.50 1.78 0.30 -0.32 0.00 0.00 0.00 173.10 175.35 2d8m s GLY 123 N 0.09 1.91 0.20 0.20 0.00 -1.26 -5.05 107.32 103.42 2d8m s GLY 123 Ca 0.03 -0.88 -0.32 0.00 0.00 0.00 0.00 44.72 43.56 2d8m s GLY 123 CO -0.06 -0.85 1.67 -1.35 0.00 0.00 0.00 173.10 172.51 2d8m s SER 124 N -2.95 6.43 0.02 1.64 1.04 -1.26 -4.99 113.70 113.64 2d8m s SER 124 Ca 0.36 2.81 -0.04 0.00 0.48 0.00 0.00 55.95 59.56 2d8m s SER 124 Cb -0.12 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 2d8m s SER 124 CO 0.28 -0.93 0.24 -0.83 0.98 0.00 0.00 173.24 172.98 2d8m s GLY 125 N 1.12 2.21 0.54 7.32 0.00 -1.26 -5.11 107.32 112.15 2d8m s GLY 125 Ca 0.73 -0.69 -0.09 0.00 0.00 0.00 0.00 44.72 44.67 2d8m s GLY 125 CO 0.33 -0.57 0.48 -1.55 0.00 0.00 0.00 173.10 171.79 2d8m n PRO 126 N 0.81 -1.96 -3.77 2.90 -0.04 -1.26 -5.04 135.00 126.65 2d8m n PRO 126 Ca -0.09 -0.77 -0.37 0.00 -0.04 0.00 0.00 63.50 62.23 2d8m n PRO 126 Cb 0.52 -0.72 -0.06 0.00 -0.04 0.00 0.00 33.50 33.20 2d8m n PRO 126 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2d8m s SER 127 N -2.80 6.50 -1.56 3.54 0.01 -1.26 -4.33 113.70 113.80 2d8m s SER 127 Ca 0.31 0.60 -0.14 0.00 1.31 0.00 0.00 55.95 58.03 2d8m s SER 127 Cb -0.03 -2.12 0.10 0.00 0.21 0.00 0.00 66.02 64.17 2d8m s SER 127 CO 0.24 0.38 0.94 -0.24 0.41 0.00 0.00 173.24 174.96 2d8m n SER 128 N 2.01 -4.39 0.00 2.44 2.88 -1.26 -5.18 113.62 110.12 2d8m n SER 128 Ca -0.18 -0.83 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 2d8m n SER 128 Cb 0.54 -3.68 0.00 0.00 -0.75 0.00 0.00 64.21 60.33 2d8m n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42