#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 6.77 -0.35 1.61 0.15 -1.26 -5.00 113.70 115.62 1x5n s SER 2 Ca 0.00 2.69 0.02 0.00 0.70 0.00 0.00 55.95 59.35 1x5n s SER 2 Cb 0.00 -2.65 0.15 0.00 -1.71 0.00 0.00 66.02 61.81 1x5n s SER 2 CO 0.00 -0.54 0.32 -0.55 1.20 0.00 0.00 173.24 173.67 1x5n s SER 3 N -0.43 1.69 -0.17 5.45 0.15 -1.26 -5.11 113.70 114.02 1x5n s SER 3 Ca 0.49 -1.51 -0.37 0.00 0.70 0.00 0.00 55.95 55.27 1x5n s SER 3 Cb -0.40 0.34 -0.13 0.00 -1.71 0.00 0.00 66.02 64.12 1x5n s SER 3 CO 0.52 -0.30 1.83 0.61 1.20 0.00 0.00 173.24 177.11 1x5n n GLY 4 N 4.46 1.21 3.55 9.45 0.00 -1.26 -4.92 105.19 117.68 1x5n n GLY 4 Ca 0.08 0.89 -0.00 0.00 0.00 0.00 0.00 46.02 46.99 1x5n n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5n s SER 5 N 3.93 -0.88 -0.18 1.61 0.01 -1.26 -5.03 113.70 111.90 1x5n s SER 5 Ca 0.95 1.22 0.13 0.00 1.31 0.00 0.00 55.95 59.57 1x5n s SER 5 Cb -0.85 1.96 0.40 0.00 0.21 0.00 0.00 66.02 67.74 1x5n s SER 5 CO 0.58 -0.17 1.20 -0.24 0.41 0.00 0.00 173.24 175.02 1x5n n SER 6 N 5.14 1.74 -4.27 2.44 2.88 -1.26 -5.03 113.62 115.26 1x5n n SER 6 Ca -0.11 -3.66 -0.22 0.00 -1.33 0.00 0.00 58.87 53.55 1x5n n SER 6 Cb 0.51 -0.50 -0.12 0.00 -0.75 0.00 0.00 64.21 63.35 1x5n n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5n s GLY 7 N -3.09 1.20 0.06 0.46 0.00 -1.26 -5.16 107.32 99.54 1x5n s GLY 7 Ca 0.36 -1.26 0.02 0.00 0.00 0.00 0.00 44.72 43.84 1x5n s GLY 7 CO -0.06 -1.28 -0.06 -0.56 0.00 0.00 0.00 173.10 171.14 1x5n s SER 8 N -2.06 0.89 -0.02 1.64 0.01 -1.26 -5.09 113.70 107.80 1x5n s SER 8 Ca 0.07 -0.78 -0.03 0.00 1.31 0.00 0.00 55.95 56.52 1x5n s SER 8 Cb -0.09 0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.20 1x5n s SER 8 CO 0.04 -0.36 0.30 1.55 0.41 0.00 0.00 173.24 175.18 1x5n h PRO 9 N 3.74 -0.12 0.00 12.44 0.13 -2.06 -3.50 132.00 142.63 1x5n h PRO 9 Ca -0.35 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1x5n h PRO 9 Cb 1.18 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1x5n h PRO 9 CO 0.53 -0.08 0.00 0.41 -0.23 0.00 0.00 178.00 178.63 1x5n n GLY 10 N 1.13 0.49 3.15 1.56 0.00 -1.26 -5.14 105.19 105.12 1x5n n GLY 10 Ca -0.02 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.28 1x5n n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5n s ASN 11 N -0.22 -0.26 -0.08 1.61 4.22 -1.26 -5.16 114.94 113.80 1x5n s ASN 11 Ca 0.00 0.05 0.04 0.00 -2.14 0.00 0.00 52.86 50.80 1x5n s ASN 11 Cb 0.00 1.17 -0.01 0.00 1.28 0.00 0.00 41.25 43.69 1x5n s ASN 11 CO 0.00 -0.05 -0.19 -0.13 -2.04 0.00 0.00 177.10 174.69 1x5n s ARG 12 N 2.97 2.78 -0.24 3.55 1.81 -1.26 -5.10 118.95 123.47 1x5n s ARG 12 Ca 0.25 -0.80 -0.00 0.00 -1.72 0.00 0.00 55.73 53.46 1x5n s ARG 12 Cb -0.02 -2.34 0.07 0.00 -0.45 0.00 0.00 34.95 32.21 1x5n s ARG 12 CO -0.21 0.38 0.00 -1.21 -0.68 0.00 0.00 175.30 173.59 1x5n s GLU 13 N -0.13 1.20 0.00 3.54 2.02 -1.26 -4.78 118.70 119.29 1x5n s GLU 13 Ca -0.03 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.06 1x5n s GLU 13 Cb -0.14 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 31.69 1x5n s GLU 13 CO 0.04 -0.69 0.00 -1.71 0.02 0.00 0.00 175.26 172.92 1x5n n ASN 14 N 4.78 0.00 -4.02 -0.19 5.15 -1.26 -5.10 115.26 114.62 1x5n n ASN 14 Ca -0.09 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.59 1x5n n ASN 14 Cb 0.44 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.53 1x5n n ASN 14 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1x5n s LYS 15 N 0.00 2.26 0.02 1.20 -2.85 -1.26 -4.51 119.74 114.59 1x5n s LYS 15 Ca 0.00 -0.71 0.00 0.00 -1.00 0.00 0.00 55.97 54.26 1x5n s LYS 15 Cb 0.00 -2.29 0.00 0.00 -2.06 0.00 0.00 37.83 33.48 1x5n s LYS 15 CO 0.00 -0.32 0.00 0.39 0.10 0.00 0.00 175.35 175.52 1x5n n GLU 16 N 4.72 -3.40 -4.29 1.78 1.02 -1.25 -4.96 120.64 114.26 1x5n n GLU 16 Ca -0.16 2.64 -0.20 0.00 -0.02 0.00 0.00 57.16 59.42 1x5n n GLU 16 Cb 0.48 -3.25 -0.13 0.00 -0.02 0.00 0.00 31.44 28.53 1x5n n GLU 16 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1x5n s LYS 17 N -1.11 0.91 -0.30 3.49 -2.85 -0.47 -4.88 119.74 114.52 1x5n s LYS 17 Ca 0.00 -0.85 -0.13 0.00 -1.00 0.00 0.00 55.97 54.00 1x5n s LYS 17 Cb 0.00 -0.93 -0.04 0.00 -2.06 0.00 0.00 37.83 34.81 1x5n s LYS 17 CO 0.00 0.22 0.25 0.21 0.10 0.00 0.00 175.35 176.13 1x5n s LYS 18 N -1.39 3.84 -0.12 1.78 2.20 -1.26 -2.67 119.74 122.12 1x5n s LYS 18 Ca 0.01 -0.32 0.01 0.00 -0.36 0.00 0.00 55.97 55.31 1x5n s LYS 18 Cb -0.09 -3.70 0.02 0.00 -1.51 0.00 0.00 37.83 32.55 1x5n s LYS 18 CO 0.02 -0.28 -0.13 0.14 -0.36 0.00 0.00 175.35 174.73 1x5n s VAL 19 N 1.84 1.40 -0.32 4.02 -7.23 0.02 -5.02 120.40 115.11 1x5n s VAL 19 Ca 0.09 -0.56 -0.08 0.00 -1.81 0.00 0.00 61.98 59.62 1x5n s VAL 19 Cb -0.16 -1.31 0.01 0.00 0.56 0.00 0.00 36.38 35.48 1x5n s VAL 19 CO 0.11 0.42 0.12 0.12 -0.31 0.00 0.00 175.10 175.57 1x5n s PHE 20 N 1.22 3.18 -0.19 2.82 2.19 -1.26 0.12 117.98 126.06 1x5n s PHE 20 Ca -0.02 -0.93 -0.14 0.00 0.33 0.00 0.00 56.93 56.17 1x5n s PHE 20 Cb -0.14 -2.31 -0.04 0.00 -1.31 0.00 0.00 43.02 39.21 1x5n s PHE 20 CO -0.05 -0.58 0.32 0.42 1.83 0.00 0.00 175.22 177.17 1x5n s ILE 21 N 1.53 5.27 -0.15 3.12 -1.09 0.12 -4.91 121.20 125.08 1x5n s ILE 21 Ca 0.02 0.56 0.02 0.00 -2.23 0.00 0.00 60.65 59.03 1x5n s ILE 21 Cb -0.18 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.06 1x5n s ILE 21 CO 0.04 0.32 -0.20 -0.55 -1.23 0.00 0.00 174.94 173.32 1x5n s SER 22 N 0.83 2.99 -0.61 3.58 0.15 -1.26 0.01 113.70 119.40 1x5n s SER 22 Ca 0.16 -0.58 -0.03 0.00 0.70 0.00 0.00 55.95 56.20 1x5n s SER 22 Cb -0.14 -1.39 0.16 0.00 -1.71 0.00 0.00 66.02 62.95 1x5n s SER 22 CO 0.06 0.04 2.51 0.18 1.20 0.00 0.00 173.24 177.23 1x5n n LEU 23 N 4.27 6.86 -4.67 3.45 7.99 -0.73 -4.93 117.00 129.24 1x5n n LEU 23 Ca -0.20 -4.35 -0.29 0.00 -0.01 0.00 0.00 56.01 51.16 1x5n n LEU 23 Cb 0.51 -1.18 -0.08 0.00 -0.11 0.00 0.00 43.42 42.56 1x5n n LEU 23 CO 0.26 1.75 -0.34 0.68 -1.51 0.00 0.00 177.39 178.23 1x5n s VAL 24 N -3.21 3.86 0.01 4.08 -7.23 -1.26 -4.90 120.40 111.75 1x5n s VAL 24 Ca 0.56 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 1x5n s VAL 24 Cb 0.40 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 34.46 1x5n s VAL 24 CO -0.29 0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 1x5n n GLY 25 N 0.29 -1.48 3.49 2.32 0.00 -1.26 -4.19 105.19 104.36 1x5n n GLY 25 Ca -0.11 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.34 4.30 -3.64 1.61 7.64 -1.26 -4.81 113.62 116.13 1x5n n SER 26 Ca 0.00 -2.85 -0.05 0.00 1.01 0.00 0.00 58.87 56.98 1x5n n SER 26 Cb 0.02 -1.72 -0.07 0.00 -1.01 0.00 0.00 64.21 61.44 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 4.73 0.58 -0.03 1.43 0.52 -1.26 -5.16 118.95 119.76 1x5n s ARG 27 Ca 0.57 1.00 0.03 0.00 -0.52 0.00 0.00 55.73 56.81 1x5n s ARG 27 Cb 0.04 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.63 1x5n s ARG 27 CO 0.08 -0.12 -0.10 0.20 0.02 0.00 0.00 175.30 175.38 1x5n s GLY 28 N 1.52 0.60 0.45 -3.53 0.00 -1.26 -4.51 107.32 100.59 1x5n s GLY 28 Ca -0.10 -0.37 -0.20 0.00 0.00 0.00 0.00 44.72 44.06 1x5n s GLY 28 CO -0.18 -0.07 -0.00 -0.10 0.00 0.00 0.00 173.10 172.74 1x5n n LEU 29 N 3.36 -3.18 -2.54 0.66 7.94 -1.26 -4.23 117.00 117.75 1x5n n LEU 29 Ca -0.19 0.74 0.01 0.00 -1.11 0.00 0.00 56.01 55.45 1x5n n LEU 29 Cb 0.54 -0.87 0.05 0.00 0.53 0.00 0.00 43.42 43.66 1x5n n LEU 29 CO 0.25 -4.46 0.04 0.61 -1.11 0.00 0.00 177.39 172.72 1x5n n GLY 30 N 2.41 1.62 3.20 -3.96 0.00 -1.26 -4.82 105.19 102.37 1x5n n GLY 30 Ca 0.10 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.75 6.20 0.04 0.00 0.15 0.42 -4.96 113.70 114.80 1x5n s SER 32 Ca 0.07 0.39 0.06 0.00 0.70 0.00 0.00 55.95 57.17 1x5n s SER 32 Cb -0.08 -1.99 -0.03 0.00 -1.71 0.00 0.00 66.02 62.21 1x5n s SER 32 CO 0.00 0.38 -0.16 0.27 1.20 0.00 0.00 173.24 174.93 1x5n s ILE 33 N -0.85 2.96 0.29 6.45 -4.36 -1.26 0.83 121.20 125.25 1x5n s ILE 33 Ca 0.14 -1.11 0.03 0.00 -0.26 0.00 0.00 60.65 59.45 1x5n s ILE 33 Cb -0.12 -2.26 -0.06 0.00 1.25 0.00 0.00 42.46 41.28 1x5n s ILE 33 CO 0.03 0.34 0.06 -0.55 0.24 0.00 0.00 174.94 175.06 1x5n s SER 34 N -1.45 1.91 -0.16 4.36 0.15 -0.33 -4.85 113.70 113.32 1x5n s SER 34 Ca 0.15 -1.35 -0.06 0.00 0.70 0.00 0.00 55.95 55.39 1x5n s SER 34 Cb -0.11 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.18 1x5n s SER 34 CO 0.06 -0.63 0.03 -0.94 1.20 0.00 0.00 173.24 172.97 1x5n s SER 35 N -3.40 5.42 0.89 5.45 1.04 -1.26 -2.40 113.70 119.44 1x5n s SER 35 Ca 0.35 0.06 -0.12 0.00 0.48 0.00 0.00 55.95 56.72 1x5n s SER 35 Cb 0.08 -1.87 0.13 0.00 0.10 0.00 0.00 66.02 64.46 1x5n s SER 35 CO 0.14 0.21 1.16 -0.83 0.98 0.00 0.00 173.24 174.89 1x5n s GLY 36 N 0.15 1.59 0.47 7.32 0.00 -1.07 -4.93 107.32 110.84 1x5n s GLY 36 Ca 0.03 -0.60 -0.08 0.00 0.00 0.00 0.00 44.72 44.08 1x5n s GLY 36 CO 0.01 -0.04 0.52 -1.55 0.00 0.00 0.00 173.10 172.03 1x5n n PRO 37 N -3.65 -1.22 0.15 2.90 -0.04 -1.11 -4.46 135.00 127.57 1x5n n PRO 37 Ca 0.07 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 1x5n n PRO 37 Cb 0.60 -0.64 0.23 0.00 -0.04 0.00 0.00 33.50 33.65 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 -1.67 1.37 0.00 0.52 6.09 -1.97 0.79 117.51 122.64 1x5n h ILE 38 Ca -0.18 -1.86 -0.19 0.00 -1.37 0.00 0.00 64.86 61.26 1x5n h ILE 38 Cb 0.52 2.01 -0.02 0.00 0.47 0.00 0.00 36.82 39.79 1x5n h ILE 38 CO 0.12 0.53 -0.88 0.06 -3.07 0.00 0.00 178.15 174.91 1x5n h GLN 39 N 0.00 0.02 -2.01 2.19 3.07 -2.05 -3.36 115.11 112.98 1x5n h GLN 39 Ca -0.01 -0.03 -0.50 0.00 0.09 0.00 0.00 58.65 58.20 1x5n h GLN 39 Cb 0.97 0.01 -0.40 0.00 0.08 0.00 0.00 27.48 28.14 1x5n h GLN 39 CO 0.07 0.88 -1.15 1.17 0.09 0.00 0.00 178.83 179.89 1x5n n LYS 40 N -3.52 1.01 -2.52 0.06 4.81 -1.05 -5.11 118.16 111.84 1x5n n LYS 40 Ca -0.01 -3.41 -0.37 0.00 -0.87 0.00 0.00 58.31 53.65 1x5n n LYS 40 Cb 0.83 -1.62 -0.04 0.00 0.02 0.00 0.00 35.03 34.22 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 -2.18 4.20 0.00 1.64 0.04 0.27 -2.76 135.00 136.21 1x5n s PRO 41 Ca 0.39 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1x5n s PRO 41 Cb 0.30 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1x5n s PRO 41 CO -0.09 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.25 1x5n n GLY 42 N 0.44 -0.13 2.95 0.56 0.00 -1.25 -4.79 105.19 102.97 1x5n n GLY 42 Ca 0.04 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.52 1.30 -0.02 -0.61 -1.09 -1.26 -2.59 121.20 113.41 1x5n s ILE 43 Ca 0.00 -0.57 0.04 0.00 -2.23 0.00 0.00 60.65 57.89 1x5n s ILE 43 Cb 0.00 -1.33 -0.01 0.00 -1.58 0.00 0.00 42.46 39.55 1x5n s ILE 43 CO 0.00 0.31 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.52 1x5n s PHE 44 N 1.58 1.34 0.36 3.97 0.40 -1.01 0.12 117.98 124.74 1x5n s PHE 44 Ca 0.03 -0.32 -0.28 0.00 -0.60 0.00 0.00 56.93 55.76 1x5n s PHE 44 Cb -0.14 -0.90 -0.10 0.00 0.51 0.00 0.00 43.02 42.39 1x5n s PHE 44 CO -0.09 -0.08 1.39 0.42 0.70 0.00 0.00 175.22 177.55 1x5n s ILE 45 N -0.10 2.41 -0.15 0.64 1.01 -1.13 -1.19 121.20 122.69 1x5n s ILE 45 Ca 0.01 0.41 0.07 0.00 0.00 0.00 0.00 60.65 61.13 1x5n s ILE 45 Cb -0.08 -3.26 -0.14 0.00 0.01 0.00 0.00 42.46 38.99 1x5n s ILE 45 CO 0.00 0.09 -0.04 -1.54 0.00 0.00 0.00 174.94 173.46 1x5n n SER 46 N 0.57 2.17 -3.56 3.58 3.41 0.24 -3.48 113.62 116.56 1x5n n SER 46 Ca 0.01 -0.04 -0.16 0.00 -0.26 0.00 0.00 58.87 58.42 1x5n n SER 46 Cb 0.41 0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 64.65 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 -2.32 -0.66 -0.16 7.33 5.65 -1.21 -4.90 115.29 119.02 1x5n s HIS 47 Ca -0.13 1.28 -0.08 0.00 0.25 0.00 0.00 55.06 56.38 1x5n s HIS 47 Cb 0.05 0.38 0.06 0.00 -1.18 0.00 0.00 32.58 31.89 1x5n s HIS 47 CO 0.47 -0.52 0.37 0.54 -0.65 0.00 0.00 174.74 174.95 1x5n s VAL 48 N -0.76 -0.17 0.69 0.89 0.11 -1.26 0.16 120.40 120.05 1x5n s VAL 48 Ca -0.07 0.13 -0.15 0.00 -2.93 0.00 0.00 61.98 58.97 1x5n s VAL 48 Cb -0.01 -0.56 0.01 0.00 -1.53 0.00 0.00 36.38 34.29 1x5n s VAL 48 CO 0.07 0.06 1.14 -0.54 -3.33 0.00 0.00 175.10 172.49 1x5n s LYS 49 N 1.67 2.57 0.45 1.54 1.02 -0.51 -4.93 119.74 121.56 1x5n s LYS 49 Ca -0.07 1.49 0.25 0.00 0.02 0.00 0.00 55.97 57.66 1x5n s LYS 49 Cb -0.10 -1.91 0.74 0.00 -0.52 0.00 0.00 37.83 36.04 1x5n s LYS 49 CO -0.12 -1.44 1.75 -1.00 -0.92 0.00 0.00 175.35 173.62 1x5n h PRO 50 N -0.11 0.00 -1.13 -1.68 0.13 -1.97 -3.21 132.00 124.03 1x5n h PRO 50 Ca -0.47 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.08 1x5n h PRO 50 Cb 1.26 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.97 1x5n h PRO 50 CO 0.53 0.14 -0.66 0.41 -0.23 0.00 0.00 178.00 178.18 1x5n n GLY 51 N 0.57 6.19 0.81 1.56 0.00 -1.26 -4.59 105.19 108.47 1x5n n GLY 51 Ca 0.02 -2.69 -0.05 0.00 0.00 0.00 0.00 46.02 43.29 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 -0.61 1.08 0.00 1.61 3.41 -1.21 -5.00 113.62 112.90 1x5n n SER 52 Ca 0.43 -1.38 0.14 0.00 -0.26 0.00 0.00 58.87 57.80 1x5n n SER 52 Cb 0.80 -0.03 0.55 0.00 -0.26 0.00 0.00 64.21 65.27 1x5n n SER 52 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1x5n n LEU 53 N 0.00 0.11 -0.11 1.04 0.00 -1.26 -2.90 117.00 113.88 1x5n n LEU 53 Ca 0.01 0.42 -0.25 0.00 0.00 0.00 0.00 56.01 56.19 1x5n n LEU 53 Cb 0.13 -0.45 -0.11 0.00 0.00 0.00 0.00 43.42 42.99 1x5n n LEU 53 CO 0.08 0.01 -1.07 -1.20 0.00 0.00 0.00 177.39 175.22 1x5n n SER 54 N -1.53 1.95 -0.24 1.96 7.64 -1.26 -4.17 113.62 117.97 1x5n n SER 54 Ca 0.07 0.28 0.08 0.00 1.01 0.00 0.00 58.87 60.31 1x5n n SER 54 Cb 0.34 -0.82 0.34 0.00 -1.01 0.00 0.00 64.21 63.07 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 -0.58 1.72 -0.40 -0.43 0.00 -1.69 0.29 119.26 118.17 1x5n h ALA 55 Ca -0.54 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.43 1x5n h ALA 55 Cb 1.60 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1x5n h ALA 55 CO -0.25 0.11 0.27 1.05 0.00 0.00 0.00 179.25 180.43 1x5n h GLU 56 N 0.79 0.21 0.00 0.00 4.11 -1.71 0.13 114.58 118.11 1x5n h GLU 56 Ca 0.39 -0.01 -0.07 0.00 0.07 0.00 0.00 59.36 59.73 1x5n h GLU 56 Cb 0.44 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1x5n h GLU 56 CO -0.15 0.14 -1.09 -0.39 0.07 0.00 0.00 179.01 177.59 1x5n h VAL 57 N 0.22 0.23 0.00 -1.06 -1.51 -0.73 -3.48 116.25 109.91 1x5n h VAL 57 Ca 0.18 -1.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.22 1x5n h VAL 57 Cb 0.43 1.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1x5n h VAL 57 CO -0.03 0.13 0.00 0.61 -1.23 0.00 0.00 177.57 177.05 1x5n n GLY 58 N 1.26 1.75 3.76 5.19 0.00 0.46 -5.05 105.19 112.56 1x5n n GLY 58 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 4.51 0.25 0.99 1.43 -0.18 -4.95 118.68 120.73 1x5n s LEU 59 Ca 0.00 1.90 -0.01 0.00 -1.03 0.00 0.00 54.13 54.98 1x5n s LEU 59 Cb 0.00 -3.79 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 1x5n s LEU 59 CO 0.00 0.06 0.26 -1.61 0.23 0.00 0.00 176.35 175.29 1x5n s GLU 60 N -1.58 1.46 0.12 1.70 2.02 -1.26 -4.39 118.70 116.77 1x5n s GLU 60 Ca 0.45 -1.67 -0.31 0.00 0.02 0.00 0.00 54.97 53.47 1x5n s GLU 60 Cb -0.23 0.34 -0.08 0.00 0.10 0.00 0.00 34.13 34.26 1x5n s GLU 60 CO 0.28 -0.53 1.44 0.42 0.02 0.00 0.00 175.26 176.89 1x5n s ILE 61 N -3.85 3.17 0.00 -1.63 1.01 -1.26 -2.63 121.20 116.00 1x5n s ILE 61 Ca 0.36 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.82 1x5n s ILE 61 Cb 0.04 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1x5n s ILE 61 CO 0.16 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.76 1x5n n GLY 62 N 3.59 2.21 3.55 6.18 0.00 -1.23 -4.75 105.19 114.74 1x5n n GLY 62 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1x5n n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x5n s ASP 63 N -1.69 4.88 -0.22 1.61 1.01 -1.08 0.03 116.67 121.22 1x5n s ASP 63 Ca 0.00 0.46 -0.26 0.00 0.71 0.00 0.00 52.55 53.46 1x5n s ASP 63 Cb 0.00 -2.52 -0.00 0.00 1.01 0.00 0.00 42.92 41.40 1x5n s ASP 63 CO 0.00 -2.69 0.91 -1.58 0.21 0.00 0.00 175.17 172.02 1x5n s GLN 64 N 7.57 4.23 -0.47 8.23 0.74 -1.26 -2.86 119.66 135.84 1x5n s GLN 64 Ca 0.79 1.11 -0.28 0.00 0.05 0.00 0.00 55.36 57.03 1x5n s GLN 64 Cb -0.13 -3.63 -0.01 0.00 1.10 0.00 0.00 33.01 30.34 1x5n s GLN 64 CO 0.19 -0.52 1.65 0.42 -0.55 0.00 0.00 175.29 176.48 1x5n s ILE 65 N 2.84 3.60 -0.13 -2.34 1.01 0.31 -3.68 121.20 122.81 1x5n s ILE 65 Ca 0.39 0.53 0.20 0.00 0.00 0.00 0.00 60.65 61.77 1x5n s ILE 65 Cb -0.15 -4.01 -0.20 0.00 0.01 0.00 0.00 42.46 38.10 1x5n s ILE 65 CO 0.08 -0.78 0.61 1.33 0.00 0.00 0.00 174.94 176.17 1x5n n VAL 66 N 7.17 0.70 -3.67 2.92 0.24 -0.52 -4.21 118.33 120.96 1x5n n VAL 66 Ca 0.19 -0.63 -0.14 0.00 -2.04 0.00 0.00 64.34 61.72 1x5n n VAL 66 Cb 0.49 -0.35 -0.07 0.00 -1.47 0.00 0.00 33.84 32.44 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 -3.14 0.87 -0.19 7.34 2.12 -1.10 -1.79 118.70 122.81 1x5n s GLU 67 Ca -0.06 -0.23 -0.04 0.00 0.36 0.00 0.00 54.97 55.00 1x5n s GLU 67 Cb 0.10 0.39 0.10 0.00 0.26 0.00 0.00 34.13 34.98 1x5n s GLU 67 CO 0.85 -0.28 0.31 0.08 -0.54 0.00 0.00 175.26 175.68 1x5n s VAL 68 N -1.99 -0.49 -1.60 3.70 1.01 -0.89 -0.02 120.40 120.12 1x5n s VAL 68 Ca -0.08 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1x5n s VAL 68 Cb -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1x5n s VAL 68 CO 0.01 -0.04 0.00 -3.20 0.00 0.00 0.00 175.10 171.87 1x5n n ASN 69 N 5.35 -5.00 0.00 3.32 2.85 0.50 0.12 115.26 122.40 1x5n n ASN 69 Ca -0.05 0.37 0.00 0.00 -0.11 0.00 0.00 54.58 54.79 1x5n n ASN 69 Cb 0.50 -4.16 0.00 0.00 1.24 0.00 0.00 39.78 37.36 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 -0.11 0.64 3.81 8.20 0.00 -1.26 -4.87 105.19 111.60 1x5n n GLY 70 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.02 4.07 -0.99 1.61 1.01 0.32 -4.97 120.40 119.43 1x5n s VAL 71 Ca 0.00 1.29 -0.19 0.00 0.00 0.00 0.00 61.98 63.09 1x5n s VAL 71 Cb 0.00 -3.52 0.12 0.00 0.00 0.00 0.00 36.38 32.98 1x5n s VAL 71 CO 0.00 -0.28 1.23 -0.62 0.00 0.00 0.00 175.10 175.43 1x5n s ASP 72 N -2.08 6.68 -0.26 3.32 2.15 -1.26 -2.09 116.67 123.13 1x5n s ASP 72 Ca 0.65 -2.10 -0.00 0.00 0.43 0.00 0.00 52.55 51.52 1x5n s ASP 72 Cb -0.13 -2.43 0.19 0.00 -0.30 0.00 0.00 42.92 40.25 1x5n s ASP 72 CO 0.17 -1.09 1.93 0.49 -0.17 0.00 0.00 175.17 176.51 1x5n n PHE 73 N 6.80 1.29 0.08 -5.34 3.01 -0.74 -4.39 117.46 118.16 1x5n n PHE 73 Ca 0.28 -1.72 -0.04 0.00 1.01 0.00 0.00 57.45 56.98 1x5n n PHE 73 Cb 0.48 -0.84 -0.02 0.00 -0.01 0.00 0.00 39.48 39.10 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 1.27 -0.24 -1.37 4.37 0.87 -1.81 -3.39 113.55 113.26 1x5n h SER 74 Ca 0.25 0.01 -0.57 0.00 -1.23 0.00 0.00 61.79 60.25 1x5n h SER 74 Cb 1.03 0.06 -0.42 0.00 -0.44 0.00 0.00 62.40 62.63 1x5n h SER 74 CO 0.61 0.15 -0.78 -0.46 -0.53 0.00 0.00 176.83 175.82 1x5n n ASN 75 N -4.50 4.49 -2.47 6.23 0.23 -1.26 -3.95 115.26 114.03 1x5n n ASN 75 Ca -0.03 -3.64 0.00 0.00 -0.53 0.00 0.00 54.58 50.38 1x5n n ASN 75 Cb 0.11 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.36 1x5n n ASN 75 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1x5n n LEU 76 N -0.49 0.00 -4.28 -4.53 4.77 -1.26 -4.99 117.00 106.22 1x5n n LEU 76 Ca 0.37 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.20 1x5n n LEU 76 Cb 0.71 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.70 1x5n n LEU 76 CO 0.33 -0.50 -0.23 -0.62 -1.33 0.00 0.00 177.39 175.04 1x5n s ASP 77 N -1.17 0.92 0.00 -1.43 2.15 -1.26 -4.78 116.67 111.10 1x5n s ASP 77 Ca 0.00 -1.43 0.18 0.00 0.43 0.00 0.00 52.55 51.73 1x5n s ASP 77 Cb 0.00 0.29 0.85 0.00 -0.30 0.00 0.00 42.92 43.76 1x5n s ASP 77 CO 0.00 -0.81 1.55 1.57 -0.17 0.00 0.00 175.17 177.31 1x5n n HIS 78 N -0.43 0.00 -0.07 -5.34 -0.00 -1.26 0.63 115.22 108.75 1x5n n HIS 78 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.64 1x5n n HIS 78 Cb 0.66 -0.36 -0.09 0.00 -0.00 0.00 0.00 29.99 30.20 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 -1.36 1.17 0.12 1.57 5.02 -1.26 -3.87 118.16 119.55 1x5n n LYS 79 Ca 0.07 0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 56.20 1x5n n LYS 79 Cb 0.16 -1.33 -0.15 0.00 -0.02 0.00 0.00 35.03 33.69 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 0.41 0.00 1.97 4.39 -1.87 -0.07 114.58 119.40 1x5n h GLU 80 Ca -0.36 -0.70 -0.12 0.00 0.34 0.00 0.00 59.36 58.52 1x5n h GLU 80 Cb 1.68 0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 30.58 1x5n h GLU 80 CO -0.02 1.33 -0.57 0.00 -1.16 0.00 0.00 179.01 178.60 1x5n h ALA 81 N 0.35 0.94 0.23 3.43 0.00 -0.05 -1.31 119.26 122.85 1x5n h ALA 81 Ca -0.21 -0.51 -0.34 0.00 0.00 0.00 0.00 54.91 53.85 1x5n h ALA 81 Cb 2.08 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 19.81 1x5n h ALA 81 CO 0.24 0.71 -1.52 0.28 0.00 0.00 0.00 179.25 178.95 1x5n h VAL 82 N 0.00 1.20 -0.64 0.00 2.07 -1.67 -1.78 116.25 115.44 1x5n h VAL 82 Ca -0.01 -2.64 -0.01 0.00 0.82 0.00 0.00 66.70 64.86 1x5n h VAL 82 Cb 1.08 2.98 -0.03 0.00 -1.52 0.00 0.00 31.29 33.80 1x5n h VAL 82 CO 0.07 0.82 0.35 -1.13 0.02 0.00 0.00 177.57 177.70 1x5n h ASN 83 N 0.11 0.81 0.38 0.57 -1.24 -0.93 1.41 115.58 116.69 1x5n h ASN 83 Ca -0.28 -0.10 -0.14 0.00 0.71 0.00 0.00 56.30 56.50 1x5n h ASN 83 Cb 2.13 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 40.96 1x5n h ASN 83 CO 0.25 0.67 -0.58 0.58 -1.29 0.00 0.00 177.43 177.06 1x5n h VAL 84 N 0.88 1.38 -0.02 2.57 2.07 -1.32 0.43 116.25 122.24 1x5n h VAL 84 Ca 0.23 -1.93 -0.20 0.00 0.82 0.00 0.00 66.70 65.62 1x5n h VAL 84 Cb 0.05 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1x5n h VAL 84 CO -0.04 0.57 -0.84 -0.07 0.02 0.00 0.00 177.57 177.21 1x5n h LEU 85 N 0.15 0.39 -0.53 2.57 3.38 -0.48 -2.87 115.31 117.93 1x5n h LEU 85 Ca -0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1x5n h LEU 85 Cb 1.06 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1x5n h LEU 85 CO 0.09 1.07 -0.20 2.29 0.09 0.00 0.00 178.44 181.78 1x5n n LYS 86 N -3.74 0.94 0.07 1.13 2.85 0.48 -4.29 118.16 115.60 1x5n n LYS 86 Ca -0.05 -0.53 -0.06 0.00 -1.05 0.00 0.00 58.31 56.63 1x5n n LYS 86 Cb 0.78 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 33.63 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 1.29 -0.54 -1.14 -5.58 0.87 0.10 -3.46 113.55 105.09 1x5n h SER 87 Ca 0.00 0.05 -0.65 0.00 -1.23 0.00 0.00 61.79 59.96 1x5n h SER 87 Cb 0.48 0.19 -0.13 0.00 -0.44 0.00 0.00 62.40 62.50 1x5n h SER 87 CO 0.00 -0.22 -0.50 -0.55 -0.53 0.00 0.00 176.83 175.04 1x5n s SER 88 N -3.13 3.76 -0.12 6.23 0.15 -1.26 -5.08 113.70 114.24 1x5n s SER 88 Ca -0.06 -1.72 -0.12 0.00 0.70 0.00 0.00 55.95 54.75 1x5n s SER 88 Cb 0.02 0.67 -0.10 0.00 -1.71 0.00 0.00 66.02 64.90 1x5n s SER 88 CO 0.21 -0.95 0.24 0.03 1.20 0.00 0.00 173.24 173.97 1x5n h ARG 89 N 1.42 0.00 -5.77 5.44 2.47 -1.88 -3.45 114.38 112.61 1x5n h ARG 89 Ca -0.40 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 57.72 1x5n h ARG 89 Cb 1.31 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.54 1x5n h ARG 89 CO 0.66 0.38 0.37 -1.12 0.56 0.00 0.00 179.97 180.82 1x5n s SER 90 N -5.86 6.81 0.02 7.04 0.01 -1.26 -1.78 113.70 118.68 1x5n s SER 90 Ca -0.09 1.00 0.01 0.00 1.31 0.00 0.00 55.95 58.17 1x5n s SER 90 Cb -0.00 -2.42 -0.01 0.00 0.21 0.00 0.00 66.02 63.80 1x5n s SER 90 CO 0.28 -0.44 -0.04 -0.76 0.41 0.00 0.00 173.24 172.69 1x5n s LEU 91 N 2.52 2.15 -0.47 2.44 1.43 0.10 -4.99 118.68 121.86 1x5n s LEU 91 Ca 0.34 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 1x5n s LEU 91 Cb -0.16 -0.04 0.11 0.00 0.03 0.00 0.00 46.19 46.13 1x5n s LEU 91 CO 0.09 -0.15 0.37 -0.89 0.23 0.00 0.00 176.35 175.99 1x5n s THR 92 N -0.90 4.58 -0.04 5.49 2.01 -1.26 0.11 115.64 125.63 1x5n s THR 92 Ca -0.08 -1.53 -0.20 0.00 0.31 0.00 0.00 61.69 60.20 1x5n s THR 92 Cb -0.06 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1x5n s THR 92 CO -0.00 -0.70 0.55 -0.63 -0.69 0.00 0.00 174.62 173.14 1x5n s ILE 93 N 1.47 5.01 -0.32 1.82 1.01 0.32 0.19 121.20 130.70 1x5n s ILE 93 Ca 0.04 1.14 0.02 0.00 0.00 0.00 0.00 60.65 61.85 1x5n s ILE 93 Cb -0.26 -3.89 0.08 0.00 0.01 0.00 0.00 42.46 38.41 1x5n s ILE 93 CO 0.02 0.39 0.03 -0.44 0.00 0.00 0.00 174.94 174.94 1x5n s SER 94 N 0.04 4.79 0.48 3.58 0.01 0.97 -0.80 113.70 122.77 1x5n s SER 94 Ca 0.29 -1.79 0.08 0.00 1.31 0.00 0.00 55.95 55.84 1x5n s SER 94 Cb -0.17 -1.66 0.02 0.00 0.21 0.00 0.00 66.02 64.43 1x5n s SER 94 CO 0.15 -0.34 0.53 0.27 0.41 0.00 0.00 173.24 174.26 1x5n s ILE 95 N 1.05 2.40 -0.35 1.44 -4.36 -1.09 -1.44 121.20 118.86 1x5n s ILE 95 Ca 0.03 -1.21 0.06 0.00 -0.26 0.00 0.00 60.65 59.27 1x5n s ILE 95 Cb -0.20 -2.61 0.49 0.00 1.25 0.00 0.00 42.46 41.39 1x5n s ILE 95 CO -0.05 0.00 1.50 0.52 0.24 0.00 0.00 174.94 177.14 1x5n n VAL 96 N -1.83 2.73 -3.07 8.37 0.31 -1.24 -1.37 118.33 122.22 1x5n n VAL 96 Ca 0.07 -3.14 -0.00 0.00 -0.01 0.00 0.00 64.34 61.25 1x5n n VAL 96 Cb 0.62 -0.65 -0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 -1.00 -2.00 -3.69 3.52 0.00 -1.26 -3.36 120.51 112.72 1x5n n ALA 97 Ca 0.41 0.20 -0.28 0.00 0.00 0.00 0.00 53.44 53.77 1x5n n ALA 97 Cb 0.98 -0.80 0.03 0.00 0.00 0.00 0.00 19.45 19.66 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 1.59 -2.37 0.13 0.00 0.00 -1.25 -4.88 120.51 113.72 1x5n n ALA 98 Ca -0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 53.44 53.16 1x5n n ALA 98 Cb 0.32 -3.48 -0.02 0.00 0.00 0.00 0.00 19.45 16.27 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 0.76 -1.01 -1.61 0.00 0.00 -0.40 -3.32 119.26 113.69 1x5n h ALA 99 Ca -0.65 -0.07 -0.74 0.00 0.00 0.00 0.00 54.91 53.46 1x5n h ALA 99 Cb 1.36 0.12 -0.32 0.00 0.00 0.00 0.00 17.79 18.95 1x5n h ALA 99 CO 0.51 -0.98 0.48 0.41 0.00 0.00 0.00 179.25 179.67 1x5n n GLY 100 N -0.92 5.94 0.22 0.00 0.00 -0.73 -4.73 105.19 104.97 1x5n n GLY 100 Ca -0.04 -2.65 0.09 0.00 0.00 0.00 0.00 46.02 43.42 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 3.84 0.00 0.00 1.61 2.43 -1.69 -2.14 114.38 118.42 1x5n h ARG 101 Ca 0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 1x5n h ARG 101 Cb 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1x5n h ARG 101 CO 1.06 0.26 0.00 -0.85 -1.51 0.00 0.00 179.97 178.93 1x5n n GLU 102 N -3.48 0.24 0.16 0.20 0.28 -1.26 -1.76 120.64 115.04 1x5n n GLU 102 Ca -0.00 0.12 0.13 0.00 -0.16 0.00 0.00 57.16 57.25 1x5n n GLU 102 Cb 0.43 -1.50 0.32 0.00 1.43 0.00 0.00 31.44 32.12 1x5n n GLU 102 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1x5n h LEU 103 N 0.00 0.00 -4.47 -1.84 3.38 -1.78 -3.26 115.31 107.33 1x5n h LEU 103 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1x5n h LEU 103 Cb 0.16 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.49 1x5n h LEU 103 CO 0.00 0.00 -0.81 0.49 0.09 0.00 0.00 178.44 178.21 1x5n n PHE 104 N -2.67 2.99 0.00 1.13 3.72 -0.72 -4.90 117.46 117.02 1x5n n PHE 104 Ca 0.05 -2.91 0.00 0.00 -0.05 0.00 0.00 57.45 54.54 1x5n n PHE 104 Cb 0.46 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 1x5n n PHE 104 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1x5n n MET 105 N -0.47 0.00 -0.49 -1.08 2.81 -1.23 -4.85 117.12 111.80 1x5n n MET 105 Ca 0.36 0.27 -0.29 0.00 -1.81 0.00 0.00 57.70 56.23 1x5n n MET 105 Cb 0.73 -1.07 0.25 0.00 -0.71 0.00 0.00 33.22 32.42 1x5n n MET 105 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1x5n n THR 106 N -1.31 0.00 -2.91 2.03 5.66 -1.26 -5.03 114.28 111.46 1x5n n THR 106 Ca 0.00 -0.43 -0.19 0.00 -3.05 0.00 0.00 64.05 60.38 1x5n n THR 106 Cb 0.00 -0.97 0.04 0.00 -1.55 0.00 0.00 70.33 67.85 1x5n n THR 106 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1x5n s ASP 107 N -2.37 5.32 -0.30 1.09 2.15 -1.26 -5.11 116.67 116.19 1x5n s ASP 107 Ca 0.68 -0.46 -0.07 0.00 0.43 0.00 0.00 52.55 53.12 1x5n s ASP 107 Cb -0.25 -0.38 0.18 0.00 -0.30 0.00 0.00 42.92 42.18 1x5n s ASP 107 CO 0.65 -1.09 0.89 -0.60 -0.17 0.00 0.00 175.17 174.85 1x5n s ARG 108 N -4.58 0.31 -0.23 4.34 3.52 -1.26 -5.14 118.95 115.91 1x5n s ARG 108 Ca 0.58 0.48 -0.09 0.00 -0.13 0.00 0.00 55.73 56.58 1x5n s ARG 108 Cb -0.08 0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.52 1x5n s ARG 108 CO 0.37 -0.42 0.11 0.45 -0.81 0.00 0.00 175.30 174.99 1x5n s SER 109 N 2.92 5.66 0.02 -2.12 0.15 -1.26 -5.09 113.70 113.97 1x5n s SER 109 Ca 0.11 -0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.76 1x5n s SER 109 Cb -0.10 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.17 1x5n s SER 109 CO -0.17 0.06 0.05 -0.83 1.20 0.00 0.00 173.24 173.54 1x5n s GLY 110 N 1.08 1.97 0.84 9.45 0.00 -1.26 -5.12 107.32 114.29 1x5n s GLY 110 Ca 0.05 -0.94 -0.14 0.00 0.00 0.00 0.00 44.72 43.69 1x5n s GLY 110 CO 0.04 -0.85 0.93 -1.55 0.00 0.00 0.00 173.10 171.67 1x5n n PRO 111 N 1.05 -1.82 -4.47 2.90 -0.04 -1.26 -5.09 135.00 126.27 1x5n n PRO 111 Ca -0.12 -1.45 -0.23 0.00 -0.04 0.00 0.00 63.50 61.65 1x5n n PRO 111 Cb 0.52 -1.15 -0.14 0.00 -0.04 0.00 0.00 33.50 32.70 1x5n n PRO 111 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5n s SER 112 N -4.24 2.14 0.22 3.54 0.15 -1.26 -5.10 113.70 109.15 1x5n s SER 112 Ca 0.56 -0.52 -0.32 0.00 0.70 0.00 0.00 55.95 56.37 1x5n s SER 112 Cb -0.03 -0.15 -0.13 0.00 -1.71 0.00 0.00 66.02 63.99 1x5n s SER 112 CO 0.41 0.09 1.51 -0.24 1.20 0.00 0.00 173.24 176.21 1x5n n SER 113 N 1.77 3.10 0.00 5.45 2.88 -1.26 -5.38 113.62 120.18 1x5n n SER 113 Ca -0.18 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1x5n n SER 113 Cb 0.54 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 1x5n n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42