#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5n s SER 2 N 0.00 -0.92 0.09 1.61 0.15 -1.26 -5.16 113.70 108.21 1x5n s SER 2 Ca 0.00 0.09 0.07 0.00 0.70 0.00 0.00 55.95 56.81 1x5n s SER 2 Cb 0.00 1.57 -0.03 0.00 -1.71 0.00 0.00 66.02 65.85 1x5n s SER 2 CO 0.00 -0.17 -0.18 -0.94 1.20 0.00 0.00 173.24 173.15 1x5n s SER 3 N 2.87 2.18 0.00 5.45 1.04 -1.26 -5.11 113.70 118.88 1x5n s SER 3 Ca 0.20 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1x5n s SER 3 Cb -0.05 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1x5n s SER 3 CO -0.24 0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1x5n n GLY 4 N 1.15 1.34 2.49 7.32 0.00 -1.26 -5.14 105.19 111.10 1x5n n GLY 4 Ca -0.20 -1.76 -0.05 0.00 0.00 0.00 0.00 46.02 44.00 1x5n n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5n n SER 5 N 0.00 -1.29 -0.04 1.61 7.64 -1.26 -4.99 113.62 115.30 1x5n n SER 5 Ca 0.00 1.31 -0.02 0.00 1.01 0.00 0.00 58.87 61.17 1x5n n SER 5 Cb 0.00 -4.98 -0.08 0.00 -1.01 0.00 0.00 64.21 58.14 1x5n n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x5n n SER 6 N 1.61 2.44 -1.28 6.43 7.64 -1.26 -5.12 113.62 124.08 1x5n n SER 6 Ca -0.36 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.52 1x5n n SER 6 Cb 0.56 0.97 0.00 0.00 -1.01 0.00 0.00 64.21 64.73 1x5n n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5n n GLY 7 N 2.22 -4.32 3.26 0.23 0.00 -1.26 -5.03 105.19 100.30 1x5n n GLY 7 Ca -0.13 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 1x5n n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5n s SER 8 N -3.13 2.46 1.10 1.61 0.15 -1.26 -5.15 113.70 109.48 1x5n s SER 8 Ca 0.00 -0.60 -0.14 0.00 0.70 0.00 0.00 55.95 55.91 1x5n s SER 8 Cb 0.00 -0.17 0.20 0.00 -1.71 0.00 0.00 66.02 64.35 1x5n s SER 8 CO 0.00 0.10 0.93 -0.81 1.20 0.00 0.00 173.24 174.67 1x5n n PRO 9 N 1.48 -1.83 -2.89 5.44 -0.04 -1.26 -5.08 135.00 130.82 1x5n n PRO 9 Ca -0.18 -1.46 0.01 0.00 -0.04 0.00 0.00 63.50 61.82 1x5n n PRO 9 Cb 0.53 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 1x5n n PRO 9 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1x5n s GLY 10 N -4.63 -1.49 -0.19 0.55 0.00 -1.26 -5.15 107.32 95.15 1x5n s GLY 10 Ca 0.56 0.78 -0.11 0.00 0.00 0.00 0.00 44.72 45.96 1x5n s GLY 10 CO 0.41 4.08 0.46 -1.31 0.00 0.00 0.00 173.10 176.75 1x5n s ASN 11 N 1.75 -0.59 -0.30 1.64 -0.87 -1.26 -5.14 114.94 110.17 1x5n s ASN 11 Ca 0.17 1.01 -0.20 0.00 -1.57 0.00 0.00 52.86 52.27 1x5n s ASN 11 Cb 0.02 0.90 0.20 0.00 -0.02 0.00 0.00 41.25 42.34 1x5n s ASN 11 CO -0.11 -0.20 1.30 -0.60 -2.57 0.00 0.00 177.10 174.91 1x5n s ARG 12 N 1.34 0.03 0.09 -0.60 3.00 -1.26 -5.09 118.95 116.46 1x5n s ARG 12 Ca -0.09 0.07 0.00 0.00 -1.00 0.00 0.00 55.73 54.71 1x5n s ARG 12 Cb -0.07 0.04 0.00 0.00 0.00 0.00 0.00 34.95 34.92 1x5n s ARG 12 CO -0.13 -0.01 0.00 0.39 0.00 0.00 0.00 175.30 175.55 1x5n n GLU 13 N 4.55 0.00 -0.87 5.12 1.02 -1.26 -5.09 120.64 124.11 1x5n n GLU 13 Ca -0.06 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.72 1x5n n GLU 13 Cb 0.56 -0.20 0.09 0.00 -0.02 0.00 0.00 31.44 31.87 1x5n n GLU 13 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1x5n n ASN 14 N -3.06 -3.02 -4.52 1.62 4.13 -1.26 -4.85 115.26 104.30 1x5n n ASN 14 Ca 0.00 -0.01 -0.43 0.00 1.68 0.00 0.00 54.58 55.82 1x5n n ASN 14 Cb 0.00 -0.74 -0.06 0.00 -1.54 0.00 0.00 39.78 37.44 1x5n n ASN 14 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1x5n s LYS 15 N -2.63 3.30 0.02 3.52 2.47 -1.26 -5.03 119.74 120.13 1x5n s LYS 15 Ca 0.45 -0.33 0.06 0.00 -1.56 0.00 0.00 55.97 54.59 1x5n s LYS 15 Cb -0.02 -3.96 -0.03 0.00 -1.46 0.00 0.00 37.83 32.36 1x5n s LYS 15 CO 0.68 -1.07 -0.16 -1.21 0.16 0.00 0.00 175.35 173.75 1x5n s GLU 16 N 2.98 2.19 0.02 4.03 2.02 -1.26 -2.25 118.70 126.42 1x5n s GLU 16 Ca 0.24 -0.91 0.03 0.00 0.02 0.00 0.00 54.97 54.36 1x5n s GLU 16 Cb -0.14 -2.25 -0.02 0.00 0.10 0.00 0.00 34.13 31.83 1x5n s GLU 16 CO 0.20 0.56 -0.11 -1.59 0.02 0.00 0.00 175.26 174.34 1x5n s LYS 17 N -1.35 0.77 -0.38 1.61 -2.85 -0.61 -4.92 119.74 112.02 1x5n s LYS 17 Ca 0.15 -0.56 -0.14 0.00 -1.00 0.00 0.00 55.97 54.42 1x5n s LYS 17 Cb -0.11 -0.73 0.01 0.00 -2.06 0.00 0.00 37.83 34.95 1x5n s LYS 17 CO 0.05 0.18 0.26 0.21 0.10 0.00 0.00 175.35 176.16 1x5n s LYS 18 N -0.79 3.14 -0.11 1.78 2.20 -1.26 -2.48 119.74 122.21 1x5n s LYS 18 Ca 0.01 -0.89 0.02 0.00 -0.36 0.00 0.00 55.97 54.75 1x5n s LYS 18 Cb -0.06 -3.87 -0.01 0.00 -1.51 0.00 0.00 37.83 32.38 1x5n s LYS 18 CO 0.00 -0.63 -0.19 0.14 -0.36 0.00 0.00 175.35 174.31 1x5n s VAL 19 N 1.67 2.50 -0.35 4.02 -7.23 0.55 -4.98 120.40 116.59 1x5n s VAL 19 Ca 0.05 -0.86 -0.08 0.00 -1.81 0.00 0.00 61.98 59.28 1x5n s VAL 19 Cb -0.18 -2.00 0.03 0.00 0.56 0.00 0.00 36.38 34.79 1x5n s VAL 19 CO 0.10 0.55 0.13 0.12 -0.31 0.00 0.00 175.10 175.68 1x5n s PHE 20 N 0.32 3.25 -0.26 2.82 2.19 -1.26 0.17 117.98 125.20 1x5n s PHE 20 Ca -0.15 -1.28 -0.14 0.00 0.33 0.00 0.00 56.93 55.70 1x5n s PHE 20 Cb -0.17 -2.32 -0.04 0.00 -1.31 0.00 0.00 43.02 39.18 1x5n s PHE 20 CO 0.07 -0.70 0.31 0.42 1.83 0.00 0.00 175.22 177.15 1x5n s ILE 21 N 1.45 5.23 -0.19 3.12 -1.09 0.74 -4.89 121.20 125.57 1x5n s ILE 21 Ca -0.00 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 1x5n s ILE 21 Cb -0.19 -3.64 0.02 0.00 -1.58 0.00 0.00 42.46 37.06 1x5n s ILE 21 CO 0.04 0.21 -0.17 -0.94 -1.23 0.00 0.00 174.94 172.85 1x5n s SER 22 N 1.55 3.37 -0.76 3.58 1.04 -1.23 -0.42 113.70 120.83 1x5n s SER 22 Ca 0.13 -0.64 -0.04 0.00 0.48 0.00 0.00 55.95 55.87 1x5n s SER 22 Cb -0.15 -1.52 0.10 0.00 0.10 0.00 0.00 66.02 64.54 1x5n s SER 22 CO 0.09 -0.01 2.58 0.18 0.98 0.00 0.00 173.24 177.07 1x5n n LEU 23 N 4.64 7.05 -4.51 2.42 7.99 -0.80 -4.88 117.00 128.91 1x5n n LEU 23 Ca -0.20 -4.41 -0.24 0.00 -0.01 0.00 0.00 56.01 51.15 1x5n n LEU 23 Cb 0.50 -1.26 -0.11 0.00 -0.11 0.00 0.00 43.42 42.44 1x5n n LEU 23 CO 0.26 1.85 -0.32 0.68 -1.51 0.00 0.00 177.39 178.35 1x5n s VAL 24 N -2.11 1.77 0.04 4.08 -7.23 -1.26 -4.84 120.40 110.84 1x5n s VAL 24 Ca 0.56 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1x5n s VAL 24 Cb 0.32 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.52 1x5n s VAL 24 CO -0.19 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 1x5n n GLY 25 N -0.77 -0.53 3.56 2.32 0.00 -1.26 -3.56 105.19 104.95 1x5n n GLY 25 Ca -0.04 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 1x5n n GLY 25 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5n n SER 26 N -3.77 2.78 -3.15 1.61 7.64 -1.26 -4.66 113.62 112.80 1x5n n SER 26 Ca 0.00 -2.66 0.05 0.00 1.01 0.00 0.00 58.87 57.27 1x5n n SER 26 Cb 0.08 -1.71 -0.01 0.00 -1.01 0.00 0.00 64.21 61.55 1x5n n SER 26 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1x5n s ARG 27 N 6.74 0.26 0.10 1.43 0.52 -1.23 -5.15 118.95 121.62 1x5n s ARG 27 Ca 0.70 0.39 0.08 0.00 -0.52 0.00 0.00 55.73 56.38 1x5n s ARG 27 Cb -0.01 0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.63 1x5n s ARG 27 CO 0.15 -0.36 -0.14 0.20 0.02 0.00 0.00 175.30 175.16 1x5n s GLY 28 N 2.93 1.73 0.61 -3.53 0.00 -1.26 -4.12 107.32 103.68 1x5n s GLY 28 Ca 0.11 -1.29 -0.19 0.00 0.00 0.00 0.00 44.72 43.34 1x5n s GLY 28 CO -0.17 -1.26 1.29 -2.27 0.00 0.00 0.00 173.10 170.69 1x5n s LEU 29 N -2.12 3.67 -0.04 0.66 2.96 -1.26 -3.68 118.68 118.89 1x5n s LEU 29 Ca 0.19 2.61 0.18 0.00 -0.22 0.00 0.00 54.13 56.89 1x5n s LEU 29 Cb -0.11 -4.52 0.31 0.00 0.50 0.00 0.00 46.19 42.38 1x5n s LEU 29 CO 0.11 -1.79 1.13 0.61 -1.32 0.00 0.00 176.35 175.09 1x5n n GLY 30 N 0.77 0.97 3.39 7.98 0.00 -1.26 -4.87 105.19 112.17 1x5n n GLY 30 Ca 0.14 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 1x5n n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5n s SER 32 N -1.66 4.78 0.12 0.00 0.01 0.45 -4.95 113.70 112.44 1x5n s SER 32 Ca 0.13 -0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.38 1x5n s SER 32 Cb -0.10 -1.49 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 1x5n s SER 32 CO 0.05 0.28 0.13 0.27 0.41 0.00 0.00 173.24 174.38 1x5n s ILE 33 N -0.29 4.65 0.13 1.44 -4.36 -1.26 0.18 121.20 121.68 1x5n s ILE 33 Ca 0.05 -0.87 0.04 0.00 -0.26 0.00 0.00 60.65 59.61 1x5n s ILE 33 Cb -0.13 -3.32 -0.04 0.00 1.25 0.00 0.00 42.46 40.23 1x5n s ILE 33 CO 0.02 0.00 -0.10 -0.94 0.24 0.00 0.00 174.94 174.17 1x5n s SER 34 N -2.79 1.65 0.24 4.36 1.04 0.11 -4.79 113.70 113.51 1x5n s SER 34 Ca 0.31 -0.98 -0.14 0.00 0.48 0.00 0.00 55.95 55.62 1x5n s SER 34 Cb -0.11 0.01 -0.08 0.00 0.10 0.00 0.00 66.02 65.94 1x5n s SER 34 CO 0.24 -0.34 0.64 -0.94 0.98 0.00 0.00 173.24 173.82 1x5n s SER 35 N -3.03 6.79 0.26 7.02 1.04 -1.26 -2.34 113.70 122.18 1x5n s SER 35 Ca 0.14 1.16 0.06 0.00 0.48 0.00 0.00 55.95 57.80 1x5n s SER 35 Cb 0.02 -2.32 -0.03 0.00 0.10 0.00 0.00 66.02 63.78 1x5n s SER 35 CO -0.00 -0.06 0.25 -0.83 0.98 0.00 0.00 173.24 173.58 1x5n s GLY 36 N -2.07 1.38 0.00 7.32 0.00 -1.03 -4.94 107.32 107.98 1x5n s GLY 36 Ca 0.47 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1x5n s GLY 36 CO 0.19 -1.41 0.00 -1.55 0.00 0.00 0.00 173.10 170.34 1x5n n PRO 37 N -1.27 0.00 0.09 2.90 -0.04 -1.09 -4.50 135.00 131.09 1x5n n PRO 37 Ca -0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.33 1x5n n PRO 37 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 1x5n n PRO 37 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1x5n h ILE 38 N -0.92 1.58 0.00 0.52 6.09 -2.00 0.21 117.51 123.00 1x5n h ILE 38 Ca 0.00 -2.83 -0.17 0.00 -1.37 0.00 0.00 64.86 60.49 1x5n h ILE 38 Cb 0.00 2.54 -0.02 0.00 0.47 0.00 0.00 36.82 39.80 1x5n h ILE 38 CO 0.00 0.81 -0.80 0.06 -3.07 0.00 0.00 178.15 175.15 1x5n h GLN 39 N 0.02 0.00 -2.05 2.19 3.07 -2.06 -3.35 115.11 112.92 1x5n h GLN 39 Ca -0.02 0.00 -0.51 0.00 0.09 0.00 0.00 58.65 58.22 1x5n h GLN 39 Cb 1.49 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.65 1x5n h GLN 39 CO 0.11 0.80 -1.08 1.17 0.09 0.00 0.00 178.83 179.92 1x5n n LYS 40 N -3.34 1.36 -2.53 0.06 4.81 -1.18 -5.11 118.16 112.22 1x5n n LYS 40 Ca 0.01 -3.64 -0.36 0.00 -0.87 0.00 0.00 58.31 53.44 1x5n n LYS 40 Cb 0.84 -1.76 -0.04 0.00 0.02 0.00 0.00 35.03 34.10 1x5n n LYS 40 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1x5n s PRO 41 N -2.48 4.09 0.00 1.64 0.04 0.73 -2.68 135.00 136.35 1x5n s PRO 41 Ca 0.41 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1x5n s PRO 41 Cb 0.32 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1x5n s PRO 41 CO -0.09 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.15 1x5n n GLY 42 N 0.24 0.93 3.41 0.56 0.00 -1.25 -4.78 105.19 104.29 1x5n n GLY 42 Ca 0.06 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.79 1x5n n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5n s ILE 43 N -1.93 3.73 -0.01 -0.61 -1.09 -1.25 -2.48 121.20 117.56 1x5n s ILE 43 Ca 0.00 -0.39 0.04 0.00 -2.23 0.00 0.00 60.65 58.07 1x5n s ILE 43 Cb 0.00 -2.68 -0.01 0.00 -1.58 0.00 0.00 42.46 38.19 1x5n s ILE 43 CO 0.00 0.44 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.65 1x5n s PHE 44 N 1.06 1.21 0.54 3.97 0.40 -0.99 0.17 117.98 124.34 1x5n s PHE 44 Ca 0.02 -0.23 -0.21 0.00 -0.60 0.00 0.00 56.93 55.90 1x5n s PHE 44 Cb -0.14 -0.78 -0.05 0.00 0.51 0.00 0.00 43.02 42.56 1x5n s PHE 44 CO 0.01 -0.02 1.28 0.42 0.70 0.00 0.00 175.22 177.60 1x5n s ILE 45 N -0.30 2.45 -0.03 0.64 1.01 -1.16 0.05 121.20 123.86 1x5n s ILE 45 Ca 0.05 0.32 0.01 0.00 0.00 0.00 0.00 60.65 61.03 1x5n s ILE 45 Cb -0.05 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 1x5n s ILE 45 CO -0.00 -0.02 -0.02 -1.54 0.00 0.00 0.00 174.94 173.36 1x5n n SER 46 N -1.03 3.85 -3.57 3.58 3.41 0.47 -3.33 113.62 117.01 1x5n n SER 46 Ca 0.10 -0.02 -0.17 0.00 -0.26 0.00 0.00 58.87 58.53 1x5n n SER 46 Cb 0.47 0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 1x5n n SER 46 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1x5n s HIS 47 N -2.07 -0.64 -0.16 7.33 5.65 -1.14 -4.87 115.29 119.39 1x5n s HIS 47 Ca -0.04 1.23 -0.09 0.00 0.25 0.00 0.00 55.06 56.40 1x5n s HIS 47 Cb 0.01 0.35 0.05 0.00 -1.18 0.00 0.00 32.58 31.82 1x5n s HIS 47 CO 0.09 -0.54 0.38 0.54 -0.65 0.00 0.00 174.74 174.57 1x5n s VAL 48 N -0.84 -0.02 0.39 0.89 0.11 -1.26 0.17 120.40 119.83 1x5n s VAL 48 Ca -0.09 0.09 -0.26 0.00 -2.93 0.00 0.00 61.98 58.79 1x5n s VAL 48 Cb -0.01 -0.57 -0.09 0.00 -1.53 0.00 0.00 36.38 34.18 1x5n s VAL 48 CO 0.07 0.04 1.26 -0.54 -3.33 0.00 0.00 175.10 172.60 1x5n s LYS 49 N 1.20 4.07 -0.65 1.54 1.02 -0.73 -4.86 119.74 121.33 1x5n s LYS 49 Ca -0.08 2.07 -0.06 0.00 0.02 0.00 0.00 55.97 57.92 1x5n s LYS 49 Cb -0.08 -2.80 -0.13 0.00 -0.52 0.00 0.00 37.83 34.30 1x5n s LYS 49 CO -0.10 -0.37 2.65 -0.35 -0.92 0.00 0.00 175.35 176.25 1x5n n PRO 50 N 0.26 2.18 0.00 -1.68 -0.04 -1.26 -2.81 135.00 131.65 1x5n n PRO 50 Ca 0.03 -1.29 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 1x5n n PRO 50 Cb 0.44 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1x5n n PRO 50 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x5n n GLY 51 N 3.19 0.00 0.00 0.55 0.00 -1.26 -5.07 105.19 102.60 1x5n n GLY 51 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1x5n n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5n n SER 52 N 0.00 0.17 0.13 1.61 3.41 -1.12 -4.96 113.62 112.86 1x5n n SER 52 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 1x5n n SER 52 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1x5n n SER 52 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1x5n h LEU 53 N 0.00 0.00 0.01 1.04 6.46 -1.89 -3.18 115.31 117.74 1x5n h LEU 53 Ca 0.00 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.43 1x5n h LEU 53 Cb 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 39.87 1x5n h LEU 53 CO 0.00 0.06 -2.04 -1.20 -0.62 0.00 0.00 178.44 174.64 1x5n n SER 54 N -2.83 0.62 0.27 1.25 7.64 -1.26 -3.93 113.62 115.38 1x5n n SER 54 Ca 0.01 0.21 0.17 0.00 1.01 0.00 0.00 58.87 60.27 1x5n n SER 54 Cb 0.57 0.32 0.68 0.00 -1.01 0.00 0.00 64.21 64.77 1x5n n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x5n h ALA 55 N 0.91 1.00 0.05 -0.43 0.00 -1.77 0.36 119.26 119.39 1x5n h ALA 55 Ca -0.41 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.26 1x5n h ALA 55 Cb 2.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 1x5n h ALA 55 CO 0.05 0.00 -1.04 1.05 0.00 0.00 0.00 179.25 179.31 1x5n h GLU 56 N 0.00 0.23 0.00 0.00 4.11 -1.67 -3.19 114.58 114.05 1x5n h GLU 56 Ca 0.00 -0.31 -0.09 0.00 0.07 0.00 0.00 59.36 59.02 1x5n h GLU 56 Cb 0.51 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1x5n h GLU 56 CO 0.00 1.08 -0.71 -0.39 0.07 0.00 0.00 179.01 179.06 1x5n h VAL 57 N 0.10 0.55 0.00 -1.06 -1.51 -1.56 -3.48 116.25 109.29 1x5n h VAL 57 Ca -0.08 -1.85 0.00 0.00 -1.23 0.00 0.00 66.70 63.55 1x5n h VAL 57 Cb 1.72 2.16 0.00 0.00 -2.13 0.00 0.00 31.29 33.04 1x5n h VAL 57 CO 0.16 0.31 0.00 0.61 -1.23 0.00 0.00 177.57 177.43 1x5n n GLY 58 N 1.24 1.09 3.84 5.19 0.00 -0.25 -5.06 105.19 111.24 1x5n n GLY 58 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1x5n n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5n s LEU 59 N 0.00 4.11 0.12 0.99 1.43 0.11 -5.00 118.68 120.45 1x5n s LEU 59 Ca 0.00 1.38 -0.07 0.00 -1.03 0.00 0.00 54.13 54.41 1x5n s LEU 59 Cb 0.00 -4.04 -0.01 0.00 0.03 0.00 0.00 46.19 42.16 1x5n s LEU 59 CO 0.00 -0.17 0.19 -1.61 0.23 0.00 0.00 176.35 174.98 1x5n s GLU 60 N -2.78 0.96 0.03 1.70 2.02 -1.26 -4.60 118.70 114.77 1x5n s GLU 60 Ca 0.53 -1.14 -0.33 0.00 0.02 0.00 0.00 54.97 54.04 1x5n s GLU 60 Cb -0.12 0.33 -0.12 0.00 0.10 0.00 0.00 34.13 34.32 1x5n s GLU 60 CO 0.18 -0.31 1.78 -0.89 0.02 0.00 0.00 175.26 176.03 1x5n n ILE 61 N -0.11 0.36 0.00 -1.63 5.41 -1.26 -1.80 119.36 120.33 1x5n n ILE 61 Ca -0.10 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1x5n n ILE 61 Cb 0.63 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.74 1x5n n ILE 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x5n n GLY 62 N 4.05 2.80 3.52 7.39 0.00 -1.21 -4.78 105.19 116.95 1x5n n GLY 62 Ca 0.20 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 1x5n n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5n n ASP 63 N 0.00 0.85 -4.74 1.61 8.00 -0.74 -2.73 116.55 118.80 1x5n n ASP 63 Ca 0.00 -0.27 -0.40 0.00 0.71 0.00 0.00 54.79 54.83 1x5n n ASP 63 Cb 0.00 -1.15 -0.05 0.00 -0.02 0.00 0.00 41.12 39.90 1x5n n ASP 63 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1x5n s GLN 64 N 8.53 4.56 -0.44 -1.24 0.74 -1.26 -2.97 119.66 127.58 1x5n s GLN 64 Ca 1.20 1.20 -0.23 0.00 0.05 0.00 0.00 55.36 57.58 1x5n s GLN 64 Cb -0.77 -3.37 0.02 0.00 1.10 0.00 0.00 33.01 29.99 1x5n s GLN 64 CO 0.39 0.25 0.78 0.42 -0.55 0.00 0.00 175.29 176.58 1x5n s ILE 65 N 0.00 4.67 -0.06 -2.34 1.01 0.46 -3.41 121.20 121.54 1x5n s ILE 65 Ca 0.42 0.47 0.21 0.00 0.00 0.00 0.00 60.65 61.74 1x5n s ILE 65 Cb -0.21 -4.30 -0.31 0.00 0.01 0.00 0.00 42.46 37.64 1x5n s ILE 65 CO 0.25 -0.67 0.40 1.33 0.00 0.00 0.00 174.94 176.25 1x5n n VAL 66 N 6.08 0.22 -3.73 2.92 0.24 -0.96 -3.85 118.33 119.25 1x5n n VAL 66 Ca 0.02 -0.54 -0.13 0.00 -2.04 0.00 0.00 64.34 61.65 1x5n n VAL 66 Cb 0.48 -0.06 -0.08 0.00 -1.47 0.00 0.00 33.84 32.71 1x5n n VAL 66 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1x5n s GLU 67 N -3.31 0.78 -0.20 7.34 2.12 -1.14 -1.15 118.70 123.14 1x5n s GLU 67 Ca -0.08 -0.33 -0.07 0.00 0.36 0.00 0.00 54.97 54.84 1x5n s GLU 67 Cb 0.12 0.34 0.09 0.00 0.26 0.00 0.00 34.13 34.95 1x5n s GLU 67 CO 0.87 -0.24 0.43 0.08 -0.54 0.00 0.00 175.26 175.86 1x5n s VAL 68 N -2.01 -0.58 -0.90 3.70 1.01 -1.01 -0.20 120.40 120.41 1x5n s VAL 68 Ca -0.09 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1x5n s VAL 68 Cb -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1x5n s VAL 68 CO 0.00 0.06 0.00 -3.20 0.00 0.00 0.00 175.10 171.97 1x5n n ASN 69 N 5.24 -3.32 0.00 3.32 2.85 0.52 0.19 115.26 124.07 1x5n n ASN 69 Ca -0.11 0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 1x5n n ASN 69 Cb 0.50 -2.88 0.00 0.00 1.24 0.00 0.00 39.78 38.64 1x5n n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5n n GLY 70 N -0.68 0.61 3.96 8.20 0.00 -1.26 -4.88 105.19 111.14 1x5n n GLY 70 Ca -0.12 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 1x5n n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5n s VAL 71 N -2.00 5.26 -0.91 1.61 1.01 0.51 -5.04 120.40 120.84 1x5n s VAL 71 Ca 0.00 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 60.93 1x5n s VAL 71 Cb 0.00 -3.84 0.18 0.00 0.00 0.00 0.00 36.38 32.72 1x5n s VAL 71 CO 0.00 -0.30 0.99 -0.62 0.00 0.00 0.00 175.10 175.17 1x5n s ASP 72 N -3.83 6.75 -0.05 3.32 -1.08 -1.26 -2.39 116.67 118.13 1x5n s ASP 72 Ca 0.35 -2.47 0.14 0.00 -0.52 0.00 0.00 52.55 50.05 1x5n s ASP 72 Cb -0.09 -2.31 0.49 0.00 -1.46 0.00 0.00 42.92 39.55 1x5n s ASP 72 CO 0.29 -0.79 1.38 0.49 0.52 0.00 0.00 175.17 177.07 1x5n n PHE 73 N 5.16 0.91 -0.13 -5.34 3.01 -0.30 -4.19 117.46 116.59 1x5n n PHE 73 Ca 0.20 -0.39 -0.03 0.00 1.01 0.00 0.00 57.45 58.24 1x5n n PHE 73 Cb 0.47 -0.11 0.18 0.00 -0.01 0.00 0.00 39.48 40.02 1x5n n PHE 73 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1x5n h SER 74 N 2.99 0.77 -1.49 4.37 0.87 -1.61 -3.31 113.55 116.15 1x5n h SER 74 Ca 0.00 -0.15 -0.42 0.00 -1.23 0.00 0.00 61.79 59.99 1x5n h SER 74 Cb 0.93 -0.20 -0.39 0.00 -0.44 0.00 0.00 62.40 62.31 1x5n h SER 74 CO 0.10 0.78 -1.16 0.59 -0.53 0.00 0.00 176.83 176.61 1x5n n ASN 75 N -4.26 0.91 -1.87 6.23 3.02 -1.26 -3.79 115.26 114.24 1x5n n ASN 75 Ca 0.04 -2.90 0.00 0.00 -0.03 0.00 0.00 54.58 51.69 1x5n n ASN 75 Cb 0.24 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1x5n n ASN 75 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x5n n LEU 76 N 0.13 0.00 -4.40 3.41 4.77 -1.24 -5.00 117.00 114.66 1x5n n LEU 76 Ca 0.17 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.96 1x5n n LEU 76 Cb 0.73 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.71 1x5n n LEU 76 CO 0.22 -0.31 -0.28 -0.62 -1.33 0.00 0.00 177.39 175.07 1x5n s ASP 77 N -1.00 2.03 0.00 -1.43 2.15 -1.26 -4.79 116.67 112.37 1x5n s ASP 77 Ca 0.00 -1.34 0.16 0.00 0.43 0.00 0.00 52.55 51.80 1x5n s ASP 77 Cb 0.00 -0.02 0.80 0.00 -0.30 0.00 0.00 42.92 43.41 1x5n s ASP 77 CO 0.00 -0.61 1.49 1.57 -0.17 0.00 0.00 175.17 177.45 1x5n n HIS 78 N -0.59 0.00 -0.06 -5.34 -0.00 -1.26 0.48 115.22 108.45 1x5n n HIS 78 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.62 1x5n n HIS 78 Cb 0.66 -0.33 -0.06 0.00 -0.00 0.00 0.00 29.99 30.26 1x5n n HIS 78 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1x5n n LYS 79 N -1.33 0.75 0.07 1.57 5.02 -1.26 -4.01 118.16 118.98 1x5n n LYS 79 Ca 0.07 0.06 -0.12 0.00 -2.02 0.00 0.00 58.31 56.29 1x5n n LYS 79 Cb 0.14 -1.26 -0.04 0.00 -0.02 0.00 0.00 35.03 33.85 1x5n n LYS 79 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1x5n h GLU 80 N 0.00 0.34 -0.12 1.97 5.08 -1.89 0.33 114.58 120.29 1x5n h GLU 80 Ca -0.28 -0.38 -0.18 0.00 -1.00 0.00 0.00 59.36 57.51 1x5n h GLU 80 Cb 1.48 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.84 1x5n h GLU 80 CO -0.03 1.08 -0.68 0.00 -1.00 0.00 0.00 179.01 178.38 1x5n h ALA 81 N 0.79 0.60 0.11 3.43 0.00 -0.22 -0.49 119.26 123.48 1x5n h ALA 81 Ca -0.07 -0.58 -0.27 0.00 0.00 0.00 0.00 54.91 53.99 1x5n h ALA 81 Cb 1.59 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.33 1x5n h ALA 81 CO 0.16 0.73 -1.20 0.28 0.00 0.00 0.00 179.25 179.22 1x5n h VAL 82 N 0.35 1.43 -0.21 0.00 2.07 -1.68 -1.50 116.25 116.70 1x5n h VAL 82 Ca -0.02 -2.82 -0.02 0.00 0.82 0.00 0.00 66.70 64.66 1x5n h VAL 82 Cb 1.25 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 33.82 1x5n h VAL 82 CO 0.12 0.83 0.06 -1.13 0.02 0.00 0.00 177.57 177.48 1x5n h ASN 83 N 0.14 0.31 0.37 0.57 -1.24 -0.29 1.49 115.58 116.94 1x5n h ASN 83 Ca -0.14 -0.21 -0.09 0.00 0.71 0.00 0.00 56.30 56.57 1x5n h ASN 83 Cb 1.90 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 40.85 1x5n h ASN 83 CO 0.21 0.44 -0.42 0.58 -1.29 0.00 0.00 177.43 176.95 1x5n h VAL 84 N 0.17 1.30 0.02 2.57 2.07 -1.15 1.30 116.25 122.53 1x5n h VAL 84 Ca 0.07 -1.46 -0.27 0.00 0.82 0.00 0.00 66.70 65.86 1x5n h VAL 84 Cb 0.24 1.75 0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1x5n h VAL 84 CO -0.00 0.42 -1.07 -0.07 0.02 0.00 0.00 177.57 176.87 1x5n h LEU 85 N 0.05 0.90 -0.26 2.57 3.38 -0.78 -3.08 115.31 118.10 1x5n h LEU 85 Ca 0.00 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1x5n h LEU 85 Cb 0.76 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1x5n h LEU 85 CO 0.06 1.54 -0.19 2.29 0.09 0.00 0.00 178.44 182.23 1x5n n LYS 86 N -3.86 0.58 0.08 1.13 2.85 0.51 -3.97 118.16 115.49 1x5n n LYS 86 Ca -0.12 -0.26 -0.12 0.00 -1.05 0.00 0.00 58.31 56.77 1x5n n LYS 86 Cb 0.89 -1.49 -0.05 0.00 -0.65 0.00 0.00 35.03 33.73 1x5n n LYS 86 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1x5n h SER 87 N 0.62 -0.39 -4.24 -5.58 0.87 0.18 -3.45 113.55 101.55 1x5n h SER 87 Ca 0.00 0.05 -0.48 0.00 -1.23 0.00 0.00 61.79 60.14 1x5n h SER 87 Cb 0.43 0.16 -0.14 0.00 -0.44 0.00 0.00 62.40 62.41 1x5n h SER 87 CO 0.00 -0.20 -0.54 -0.55 -0.53 0.00 0.00 176.83 175.01 1x5n s SER 88 N -4.97 2.04 -0.12 6.23 0.15 -1.25 -5.07 113.70 110.70 1x5n s SER 88 Ca -0.15 -1.61 -0.06 0.00 0.70 0.00 0.00 55.95 54.83 1x5n s SER 88 Cb 0.08 0.42 -0.02 0.00 -1.71 0.00 0.00 66.02 64.79 1x5n s SER 88 CO 0.66 -0.91 -0.12 0.03 1.20 0.00 0.00 173.24 174.10 1x5n h ARG 89 N 2.05 0.00 -6.20 5.44 2.47 -1.88 -3.45 114.38 112.81 1x5n h ARG 89 Ca -0.33 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 57.81 1x5n h ARG 89 Cb 1.26 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.50 1x5n h ARG 89 CO 0.53 0.00 0.75 -1.12 0.56 0.00 0.00 179.97 180.68 1x5n s SER 90 N -5.60 6.86 0.02 7.04 0.01 -1.25 -1.90 113.70 118.87 1x5n s SER 90 Ca -0.10 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.09 1x5n s SER 90 Cb 0.01 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.71 1x5n s SER 90 CO 0.14 -0.84 -0.03 -0.76 0.41 0.00 0.00 173.24 172.16 1x5n s LEU 91 N 3.53 2.22 -0.44 2.44 1.43 0.44 -4.98 118.68 123.33 1x5n s LEU 91 Ca 0.43 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 52.96 1x5n s LEU 91 Cb -0.12 0.09 0.09 0.00 0.03 0.00 0.00 46.19 46.27 1x5n s LEU 91 CO 0.15 -0.28 0.30 -0.89 0.23 0.00 0.00 176.35 175.87 1x5n s THR 92 N -1.35 4.32 0.06 5.49 2.01 -1.26 -0.19 115.64 124.71 1x5n s THR 92 Ca -0.15 -1.48 -0.19 0.00 0.31 0.00 0.00 61.69 60.18 1x5n s THR 92 Cb -0.09 -3.69 -0.06 0.00 0.01 0.00 0.00 72.50 68.66 1x5n s THR 92 CO -0.01 -0.59 0.55 -0.63 -0.69 0.00 0.00 174.62 173.25 1x5n s ILE 93 N 1.43 4.79 -0.33 1.82 1.01 0.45 0.19 121.20 130.56 1x5n s ILE 93 Ca 0.04 1.18 0.03 0.00 0.00 0.00 0.00 60.65 61.89 1x5n s ILE 93 Cb -0.24 -3.88 0.10 0.00 0.01 0.00 0.00 42.46 38.45 1x5n s ILE 93 CO 0.02 0.54 0.06 -0.44 0.00 0.00 0.00 174.94 175.12 1x5n s SER 94 N -1.00 4.53 0.50 3.58 0.01 0.71 -0.33 113.70 121.69 1x5n s SER 94 Ca 0.29 -1.97 0.09 0.00 1.31 0.00 0.00 55.95 55.67 1x5n s SER 94 Cb -0.19 -1.40 0.05 0.00 0.21 0.00 0.00 66.02 64.69 1x5n s SER 94 CO 0.18 -0.38 0.67 0.27 0.41 0.00 0.00 173.24 174.39 1x5n s ILE 95 N 1.12 2.56 -0.36 1.44 -4.36 -1.04 -2.27 121.20 118.30 1x5n s ILE 95 Ca 0.10 -1.01 0.06 0.00 -0.26 0.00 0.00 60.65 59.54 1x5n s ILE 95 Cb -0.19 -2.57 0.49 0.00 1.25 0.00 0.00 42.46 41.44 1x5n s ILE 95 CO -0.13 0.00 1.50 0.52 0.24 0.00 0.00 174.94 177.07 1x5n n VAL 96 N -2.04 2.76 -3.01 8.37 0.31 -1.22 -1.57 118.33 121.93 1x5n n VAL 96 Ca 0.12 -3.18 -0.01 0.00 -0.01 0.00 0.00 64.34 61.26 1x5n n VAL 96 Cb 0.60 -0.69 -0.01 0.00 -0.91 0.00 0.00 33.84 32.83 1x5n n VAL 96 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5n n ALA 97 N -0.98 -2.19 -3.81 3.52 0.00 -0.96 -3.45 120.51 112.64 1x5n n ALA 97 Ca 0.42 0.38 -0.32 0.00 0.00 0.00 0.00 53.44 53.93 1x5n n ALA 97 Cb 0.97 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 19.34 1x5n n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x5n n ALA 98 N 1.58 -2.41 0.10 0.00 0.00 -1.26 -4.90 120.51 113.63 1x5n n ALA 98 Ca -0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 53.44 53.05 1x5n n ALA 98 Cb 0.29 -3.19 -0.02 0.00 0.00 0.00 0.00 19.45 16.53 1x5n n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x5n h ALA 99 N 0.93 -1.01 -1.31 0.00 0.00 -1.55 -3.29 119.26 113.03 1x5n h ALA 99 Ca -0.66 -0.06 -0.77 0.00 0.00 0.00 0.00 54.91 53.42 1x5n h ALA 99 Cb 1.37 0.10 -0.29 0.00 0.00 0.00 0.00 17.79 18.97 1x5n h ALA 99 CO 0.53 -0.99 0.82 0.41 0.00 0.00 0.00 179.25 180.01 1x5n n GLY 100 N -0.96 5.95 0.24 0.00 0.00 -1.11 -4.71 105.19 104.61 1x5n n GLY 100 Ca -0.03 -2.58 -0.01 0.00 0.00 0.00 0.00 46.02 43.39 1x5n n GLY 100 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1x5n h ARG 101 N 3.75 0.41 -0.94 1.61 2.43 -1.71 -2.72 114.38 117.21 1x5n h ARG 101 Ca 0.50 -0.13 0.20 0.00 -0.81 0.00 0.00 59.98 59.74 1x5n h ARG 101 Cb 0.29 -0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 29.69 1x5n h ARG 101 CO 1.19 0.59 0.51 1.05 -1.51 0.00 0.00 179.97 181.81 1x5n h GLU 102 N 0.38 0.58 -0.98 0.20 4.11 -1.90 0.17 114.58 117.14 1x5n h GLU 102 Ca 0.06 -0.03 0.33 0.00 0.07 0.00 0.00 59.36 59.79 1x5n h GLU 102 Cb 0.56 -0.13 -0.17 0.00 0.50 0.00 0.00 28.75 29.50 1x5n h GLU 102 CO 0.04 0.38 0.33 -0.07 0.07 0.00 0.00 179.01 179.76 1x5n h LEU 103 N 0.60 0.02 -5.21 3.06 3.38 -1.88 0.46 115.31 115.74 1x5n h LEU 103 Ca 0.57 0.25 -0.69 0.00 0.09 0.00 0.00 57.88 58.10 1x5n h LEU 103 Cb 0.97 0.33 -0.35 0.00 0.09 0.00 0.00 40.66 41.70 1x5n h LEU 103 CO -0.44 -0.34 0.16 0.49 0.09 0.00 0.00 178.44 178.40 1x5n n PHE 104 N -5.31 3.31 -2.20 1.13 3.72 0.59 -4.84 117.46 113.86 1x5n n PHE 104 Ca 0.30 -2.99 -0.39 0.00 -0.05 0.00 0.00 57.45 54.32 1x5n n PHE 104 Cb 1.00 -0.72 0.01 0.00 -0.94 0.00 0.00 39.48 38.84 1x5n n PHE 104 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x5n n MET 105 N -0.35 4.17 0.05 -1.08 0.00 0.16 -4.61 117.12 115.46 1x5n n MET 105 Ca 0.43 -3.89 -0.20 0.00 0.00 0.00 0.00 57.70 54.03 1x5n n MET 105 Cb 0.39 -2.40 -0.12 0.00 0.00 0.00 0.00 33.22 31.10 1x5n n MET 105 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1x5n h THR 106 N 2.18 1.35 0.00 3.17 1.35 -1.88 -3.46 112.91 115.61 1x5n h THR 106 Ca 0.56 -2.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 1x5n h THR 106 Cb 0.27 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 1x5n h THR 106 CO 1.27 0.70 0.00 0.47 -0.25 0.00 0.00 175.52 177.71 1x5n n ASP 107 N -3.96 0.00 -4.45 5.36 9.92 -1.26 -4.80 116.55 117.36 1x5n n ASP 107 Ca -0.12 0.00 -0.51 0.00 -0.53 0.00 0.00 54.79 53.62 1x5n n ASP 107 Cb 0.86 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 41.30 1x5n n ASP 107 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1x5n n ARG 108 N 0.00 0.12 -0.01 -1.24 0.63 -1.26 -4.91 116.66 110.00 1x5n n ARG 108 Ca 0.00 0.04 -0.04 0.00 -0.92 0.00 0.00 57.85 56.94 1x5n n ARG 108 Cb 0.00 -1.24 -0.01 0.00 0.45 0.00 0.00 32.46 31.65 1x5n n ARG 108 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1x5n n SER 109 N 1.82 1.43 0.00 6.15 2.88 -1.26 -5.15 113.62 119.49 1x5n n SER 109 Ca 0.18 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1x5n n SER 109 Cb 0.20 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 1x5n n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5n n GLY 110 N 2.68 -1.35 3.57 0.46 0.00 -1.26 -4.74 105.19 104.55 1x5n n GLY 110 Ca -0.06 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 1x5n n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5n s PRO 111 N -1.44 3.16 0.43 1.61 0.04 -1.26 -4.40 135.00 133.14 1x5n s PRO 111 Ca 0.00 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1x5n s PRO 111 Cb 0.00 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1x5n s PRO 111 CO 0.00 -2.11 0.00 0.45 0.04 0.00 0.00 177.00 175.38 1x5n n SER 112 N 10.22 -3.59 0.00 6.66 2.88 -1.26 -5.04 113.62 123.49 1x5n n SER 112 Ca 0.13 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1x5n n SER 112 Cb 0.50 3.38 0.00 0.00 -0.75 0.00 0.00 64.21 67.34 1x5n n SER 112 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x5n n SER 113 N -3.41 0.00 -0.08 -3.46 2.88 -1.26 -5.30 113.62 102.99 1x5n n SER 113 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 1x5n n SER 113 Cb 0.00 0.00 0.87 0.00 -0.75 0.00 0.00 64.21 64.33 1x5n n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42