#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 -1.36 0.18 1.61 0.01 -1.26 -5.16 113.70 107.72 1x5n s SER 2 Ca 0.00 0.53 -0.01 0.00 1.31 0.00 0.00 55.95 57.79 1x5n s SER 2 Cb 0.00 2.04 -0.04 0.00 0.21 0.00 0.00 66.02 68.23 1x5n s SER 2 CO 0.00 -0.28 0.10 -0.94 0.41 0.00 0.00 173.24 172.53 1x5n s SER 3 N 2.82 0.31 0.00 2.44 1.04 -1.26 -5.16 113.70 113.89 1x5n s SER 3 Ca 0.16 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.27 1x5n s SER 3 Cb -0.13 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1x5n s SER 3 CO -0.23 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1x5n n GLY 4 N -0.22 2.52 3.17 7.32 0.00 -1.26 -5.19 105.19 111.54 1x5n n GLY 4 Ca -0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 1x5n n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5n s SER 5 N 2.00 0.29 -0.09 1.61 1.04 -1.26 -5.06 113.70 112.24 1x5n s SER 5 Ca 0.00 -1.09 0.12 0.00 0.48 0.00 0.00 55.95 55.45 1x5n s SER 5 Cb 0.00 0.30 -0.17 0.00 0.10 0.00 0.00 66.02 66.25 1x5n s SER 5 CO 0.00 -0.73 0.11 -0.24 0.98 0.00 0.00 173.24 173.36 1x5n n SER 6 N -0.07 1.96 -0.52 7.02 2.88 -1.26 -5.07 113.62 118.56 1x5n n SER 6 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1x5n n SER 6 Cb 0.63 1.04 0.00 0.00 -0.75 0.00 0.00 64.21 65.13 1x5n n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5n n GLY 7 N 2.10 0.20 3.12 0.46 0.00 -1.26 -5.13 105.19 104.68 1x5n n GLY 7 Ca -0.15 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.22 1x5n n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5n s SER 8 N -0.34 1.48 0.21 1.61 0.01 -1.26 -5.13 113.70 110.27 1x5n s SER 8 Ca 0.00 -0.47 -0.30 0.00 1.31 0.00 0.00 55.95 56.49 1x5n s SER 8 Cb 0.00 -0.07 -0.08 0.00 0.21 0.00 0.00 66.02 66.07 1x5n s SER 8 CO 0.00 -0.02 1.11 -2.16 0.41 0.00 0.00 173.24 172.58 1x5n s PRO 9 N -1.23 4.60 0.45 12.44 0.04 -1.26 -4.76 135.00 145.28 1x5n s PRO 9 Ca -0.01 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1x5n s PRO 9 Cb -0.08 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1x5n s PRO 9 CO 0.01 0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.56 1x5n n GLY 10 N 1.83 -4.55 3.36 0.56 0.00 -1.26 -5.05 105.19 100.08 1x5n n GLY 10 Ca 0.02 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 1x5n n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x5n s ASN 11 N -3.02 -0.57 0.57 1.61 -0.87 -1.26 -5.12 114.94 106.29 1x5n s ASN 11 Ca 0.00 1.00 0.00 0.00 -1.57 0.00 0.00 52.86 52.29 1x5n s ASN 11 Cb 0.00 0.93 0.00 0.00 -0.02 0.00 0.00 41.25 42.16 1x5n s ASN 11 CO 0.00 -0.19 0.00 0.54 -2.57 0.00 0.00 177.10 174.88 1x5n n ARG 12 N 3.77 -3.12 -2.70 -0.60 1.74 -1.26 -4.94 116.66 109.54 1x5n n ARG 12 Ca -0.19 2.55 -0.08 0.00 -0.77 0.00 0.00 57.85 59.35 1x5n n ARG 12 Cb 0.56 -3.59 0.04 0.00 -1.02 0.00 0.00 32.46 28.45 1x5n n ARG 12 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1x5n n GLU 13 N -4.04 -1.45 0.00 5.56 2.13 -1.26 -4.86 120.64 116.72 1x5n n GLU 13 Ca -0.08 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.47 1x5n n GLU 13 Cb 0.62 -4.54 0.00 0.00 0.27 0.00 0.00 31.44 27.78 1x5n n GLU 13 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1x5n n ASN 14 N -2.48 0.00 -5.01 4.31 4.13 -1.26 -5.15 115.26 109.80 1x5n n ASN 14 Ca -0.04 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.05 1x5n n ASN 14 Cb 0.57 0.04 0.01 0.00 -1.54 0.00 0.00 39.78 38.86 1x5n n ASN 14 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1x5n s LYS 15 N -0.60 2.81 -0.18 3.52 0.00 -1.26 -4.80 119.74 119.23 1x5n s LYS 15 Ca 0.00 -1.25 -0.06 0.00 0.00 0.00 0.00 55.97 54.65 1x5n s LYS 15 Cb 0.00 -2.75 0.01 0.00 0.00 0.00 0.00 37.83 35.08 1x5n s LYS 15 CO 0.00 -0.29 0.13 0.39 0.00 0.00 0.00 175.35 175.58 1x5n n GLU 16 N -1.87 -1.62 -4.27 1.78 1.02 -1.25 -4.94 120.64 109.50 1x5n n GLU 16 Ca 0.08 1.57 -0.31 0.00 -0.02 0.00 0.00 57.16 58.48 1x5n n GLU 16 Cb 0.59 -2.80 -0.09 0.00 -0.02 0.00 0.00 31.44 29.12 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 -1.50 2.53 -0.17 3.49 -2.85 0.16 -4.91 119.74 116.48 1x5n s LYS 17 Ca 0.07 -0.79 -0.14 0.00 -1.00 0.00 0.00 55.97 54.11 1x5n s LYS 17 Cb -0.01 -2.52 -0.04 0.00 -2.06 0.00 0.00 37.83 33.20 1x5n s LYS 17 CO 0.41 0.57 0.31 0.21 0.10 0.00 0.00 175.35 176.95 1x5n s LYS 18 N -1.88 4.24 0.18 1.78 2.20 -1.26 -2.29 119.74 122.70 1x5n s LYS 18 Ca 0.21 0.11 0.08 0.00 -0.36 0.00 0.00 55.97 56.01 1x5n s LYS 18 Cb -0.11 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1x5n s LYS 18 CO 0.13 0.17 -0.17 0.14 -0.36 0.00 0.00 175.35 175.25 1x5n s VAL 19 N 0.68 1.80 -0.19 4.02 -7.23 0.60 -5.03 120.40 115.05 1x5n s VAL 19 Ca 0.17 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.32 1x5n s VAL 19 Cb -0.13 -1.90 0.05 0.00 0.56 0.00 0.00 36.38 34.96 1x5n s VAL 19 CO 0.05 -0.39 -0.01 0.12 -0.31 0.00 0.00 175.10 174.56 1x5n s PHE 20 N -2.30 1.50 -0.56 2.82 5.36 -1.26 -0.90 117.98 122.64 1x5n s PHE 20 Ca 0.18 -1.10 -0.19 0.00 -0.96 0.00 0.00 56.93 54.86 1x5n s PHE 20 Cb -0.04 -1.22 0.09 0.00 -0.34 0.00 0.00 43.02 41.51 1x5n s PHE 20 CO 0.07 -0.64 0.65 0.42 -1.46 0.00 0.00 175.22 174.26 1x5n s ILE 21 N 1.70 4.89 -0.43 3.12 1.09 0.57 -4.85 121.20 127.28 1x5n s ILE 21 Ca -0.02 -0.89 -0.18 0.00 -1.10 0.00 0.00 60.65 58.46 1x5n s ILE 21 Cb -0.17 -4.40 0.02 0.00 -1.06 0.00 0.00 42.46 36.85 1x5n s ILE 21 CO -0.07 -0.98 0.51 -0.55 -0.10 0.00 0.00 174.94 173.74 1x5n s SER 22 N 3.29 6.24 -1.37 3.58 0.15 -1.26 -1.47 113.70 122.86 1x5n s SER 22 Ca 0.11 -0.58 -0.13 0.00 0.70 0.00 0.00 55.95 56.06 1x5n s SER 22 Cb -0.23 -2.26 0.09 0.00 -1.71 0.00 0.00 66.02 61.91 1x5n s SER 22 CO 0.08 -0.66 2.01 0.18 1.20 0.00 0.00 173.24 176.05 1x5n n LEU 23 N 5.84 6.47 -4.37 3.45 4.32 -1.06 -4.89 117.00 126.76 1x5n n LEU 23 Ca -0.05 -4.30 -0.19 0.00 -0.02 0.00 0.00 56.01 51.45 1x5n n LEU 23 Cb 0.47 -1.61 -0.10 0.00 -1.62 0.00 0.00 43.42 40.56 1x5n n LEU 23 CO 0.49 1.06 -0.34 0.68 -1.22 0.00 0.00 177.39 178.06 1x5n s VAL 24 N 2.31 1.24 0.00 4.08 -7.23 -1.26 -4.77 120.40 114.77 1x5n s VAL 24 Ca 0.45 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 1x5n s VAL 24 Cb 0.10 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.65 1x5n s VAL 24 CO -0.03 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.06 1x5n n GLY 25 N -0.48 1.92 2.74 2.32 0.00 -1.26 -3.92 105.19 106.51 1x5n n GLY 25 Ca -0.05 0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 1x5n n GLY 25 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5n n SER 26 N 5.90 -2.91 -3.55 1.61 2.88 -1.26 -5.15 113.62 111.14 1x5n n SER 26 Ca 0.00 -2.87 -0.09 0.00 -1.33 0.00 0.00 58.87 54.58 1x5n n SER 26 Cb 0.00 1.65 -0.01 0.00 -0.75 0.00 0.00 64.21 65.09 1x5n n SER 26 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1x5n s ARG 27 N 0.74 1.89 -0.35 -1.46 0.52 -1.25 -5.10 118.95 113.94 1x5n s ARG 27 Ca 0.30 -1.25 0.04 0.00 -0.52 0.00 0.00 55.73 54.30 1x5n s ARG 27 Cb 0.13 0.57 0.28 0.00 0.52 0.00 0.00 34.95 36.45 1x5n s ARG 27 CO -0.15 -0.85 1.28 0.41 0.02 0.00 0.00 175.30 176.02 1x5n n GLY 28 N -0.48 -0.81 2.27 -3.53 0.00 -1.26 -4.68 105.19 96.70 1x5n n GLY 28 Ca -0.04 0.48 -0.01 0.00 0.00 0.00 0.00 46.02 46.44 1x5n n GLY 28 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x5n n LEU 29 N 0.19 -6.05 -2.35 0.99 7.94 -1.26 -4.87 117.00 111.59 1x5n n LEU 29 Ca -0.08 2.44 -0.35 0.00 -1.11 0.00 0.00 56.01 56.91 1x5n n LEU 29 Cb 0.73 -3.02 0.07 0.00 0.53 0.00 0.00 43.42 41.73 1x5n n LEU 29 CO -0.08 -2.87 1.36 0.61 -1.11 0.00 0.00 177.39 175.30 1x5n n GLY 30 N 1.61 5.89 2.92 -3.96 0.00 -1.26 -4.89 105.19 105.50 1x5n n GLY 30 Ca -0.09 -2.35 -0.12 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.39 6.98 -0.00 0.00 0.15 -0.52 -4.93 113.70 114.99 1x5n s SER 32 Ca -0.03 1.17 0.04 0.00 0.70 0.00 0.00 55.95 57.82 1x5n s SER 32 Cb -0.03 -2.38 -0.03 0.00 -1.71 0.00 0.00 66.02 61.87 1x5n s SER 32 CO -0.00 0.03 -0.11 0.27 1.20 0.00 0.00 173.24 174.63 1x5n s ILE 33 N 0.14 3.32 0.17 6.45 -4.36 -1.26 0.17 121.20 125.83 1x5n s ILE 33 Ca 0.33 -0.84 0.00 0.00 -0.26 0.00 0.00 60.65 59.88 1x5n s ILE 33 Cb -0.18 -2.40 -0.04 0.00 1.25 0.00 0.00 42.46 41.09 1x5n s ILE 33 CO 0.17 0.44 0.05 -0.55 0.24 0.00 0.00 174.94 175.30 1x5n s SER 34 N -1.23 0.71 -0.15 4.36 0.15 0.61 -4.90 113.70 113.25 1x5n s SER 34 Ca 0.15 -1.24 -0.06 0.00 0.70 0.00 0.00 55.95 55.50 1x5n s SER 34 Cb -0.11 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.39 1x5n s SER 34 CO 0.05 -0.69 0.05 -0.44 1.20 0.00 0.00 173.24 173.41 1x5n s SER 35 N -3.14 5.60 1.13 5.45 0.01 -1.26 -1.36 113.70 120.14 1x5n s SER 35 Ca 0.28 0.13 -0.18 0.00 1.31 0.00 0.00 55.95 57.49 1x5n s SER 35 Cb 0.07 -1.87 0.26 0.00 0.21 0.00 0.00 66.02 64.69 1x5n s SER 35 CO 0.05 0.25 1.18 -0.83 0.41 0.00 0.00 173.24 174.30 1x5n s GLY 36 N -0.06 1.65 0.16 3.44 0.00 -0.84 -4.91 107.32 106.75 1x5n s GLY 36 Ca 0.06 -1.04 -0.03 0.00 0.00 0.00 0.00 44.72 43.71 1x5n s GLY 36 CO 0.01 -0.19 0.17 -1.55 0.00 0.00 0.00 173.10 171.55 1x5n n PRO 37 N -4.46 -0.74 0.12 2.90 -0.04 -1.11 -4.49 135.00 127.18 1x5n n PRO 37 Ca 0.14 -0.27 -0.02 0.00 -0.04 0.00 0.00 63.50 63.31 1x5n n PRO 37 Cb 0.59 -0.21 0.13 0.00 -0.04 0.00 0.00 33.50 33.97 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 -1.39 1.48 0.00 0.52 2.10 -1.97 0.47 117.51 118.72 1x5n h ILE 38 Ca -0.06 -2.29 -0.18 0.00 1.08 0.00 0.00 64.86 63.41 1x5n h ILE 38 Cb 0.17 2.23 -0.03 0.00 -1.09 0.00 0.00 36.82 38.11 1x5n h ILE 38 CO 0.04 0.66 -0.86 0.06 -1.08 0.00 0.00 178.15 176.96 1x5n h GLN 39 N 0.01 0.00 -2.03 2.19 3.07 -2.05 -3.36 115.11 112.95 1x5n h GLN 39 Ca -0.01 0.00 -0.51 0.00 0.09 0.00 0.00 58.65 58.22 1x5n h GLN 39 Cb 1.19 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.35 1x5n h GLN 39 CO 0.09 0.86 -1.12 1.17 0.09 0.00 0.00 178.83 179.92 1x5n n LYS 40 N -3.48 1.15 -2.54 0.06 4.81 -1.12 -5.11 118.16 111.93 1x5n n LYS 40 Ca -0.00 -3.50 -0.36 0.00 -0.87 0.00 0.00 58.31 53.57 1x5n n LYS 40 Cb 0.83 -1.66 -0.04 0.00 0.02 0.00 0.00 35.03 34.19 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 -2.24 4.07 0.00 1.64 0.04 0.16 -2.75 135.00 135.92 1x5n s PRO 41 Ca 0.40 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1x5n s PRO 41 Cb 0.30 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1x5n s PRO 41 CO -0.09 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1x5n n GLY 42 N 0.19 -0.61 3.15 0.56 0.00 -1.26 -4.80 105.19 102.42 1x5n n GLY 42 Ca 0.06 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.78 2.51 0.21 -0.61 -1.09 -1.26 -1.98 121.20 116.20 1x5n s ILE 43 Ca 0.00 -1.14 0.09 0.00 -2.23 0.00 0.00 60.65 57.37 1x5n s ILE 43 Cb 0.00 -2.27 -0.05 0.00 -1.58 0.00 0.00 42.46 38.56 1x5n s ILE 43 CO 0.00 0.23 -0.18 -0.36 -1.23 0.00 0.00 174.94 173.40 1x5n s PHE 44 N 1.26 1.94 0.18 3.97 0.40 -0.46 0.18 117.98 125.45 1x5n s PHE 44 Ca -0.01 -0.46 -0.21 0.00 -0.60 0.00 0.00 56.93 55.66 1x5n s PHE 44 Cb -0.17 -0.91 -0.08 0.00 0.51 0.00 0.00 43.02 42.38 1x5n s PHE 44 CO -0.07 0.45 0.70 0.42 0.70 0.00 0.00 175.22 177.42 1x5n s ILE 45 N -2.43 4.57 -0.17 0.64 1.01 -1.18 -0.28 121.20 123.36 1x5n s ILE 45 Ca 0.22 1.34 0.04 0.00 0.00 0.00 0.00 60.65 62.25 1x5n s ILE 45 Cb -0.04 -3.92 -0.14 0.00 0.01 0.00 0.00 42.46 38.37 1x5n s ILE 45 CO 0.09 0.34 -0.11 -0.24 0.00 0.00 0.00 174.94 175.03 1x5n n SER 46 N 1.10 2.27 -3.90 3.58 2.88 0.45 -3.25 113.62 116.75 1x5n n SER 46 Ca -0.05 -0.07 -0.09 0.00 -1.33 0.00 0.00 58.87 57.33 1x5n n SER 46 Cb 0.50 0.01 -0.05 0.00 -0.75 0.00 0.00 64.21 63.92 1x5n n SER 46 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1x5n s HIS 47 N -2.36 0.23 -0.04 0.66 5.65 -1.22 -4.87 115.29 113.34 1x5n s HIS 47 Ca -0.20 -0.59 -0.03 0.00 0.25 0.00 0.00 55.06 54.49 1x5n s HIS 47 Cb 0.06 0.15 0.01 0.00 -1.18 0.00 0.00 32.58 31.62 1x5n s HIS 47 CO 0.47 -0.86 0.11 0.08 -0.65 0.00 0.00 174.74 173.88 1x5n s VAL 48 N -3.95 -0.01 0.38 0.89 1.01 -1.26 -1.44 120.40 116.02 1x5n s VAL 48 Ca 0.16 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 1x5n s VAL 48 Cb 0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 36.38 36.17 1x5n s VAL 48 CO 0.02 0.01 0.70 -0.54 0.00 0.00 0.00 175.10 175.29 1x5n s LYS 49 N 0.17 3.69 -0.53 2.72 1.02 0.44 -4.96 119.74 122.30 1x5n s LYS 49 Ca -0.01 0.27 -0.28 0.00 0.02 0.00 0.00 55.97 55.97 1x5n s LYS 49 Cb -0.02 -2.47 0.01 0.00 -0.52 0.00 0.00 37.83 34.83 1x5n s LYS 49 CO -0.00 0.02 1.48 -1.25 -0.92 0.00 0.00 175.35 174.68 1x5n s PRO 50 N -3.89 3.28 0.00 -1.68 0.04 -1.26 -3.32 135.00 128.16 1x5n s PRO 50 Ca 0.48 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1x5n s PRO 50 Cb -0.10 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1x5n s PRO 50 CO 0.33 -1.96 0.00 0.41 0.04 0.00 0.00 177.00 175.82 1x5n n GLY 51 N 5.29 0.59 0.55 0.56 0.00 -1.26 -5.09 105.19 105.83 1x5n n GLY 51 Ca 0.14 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.09 1.43 0.16 1.61 3.41 -1.21 -4.84 113.62 113.09 1x5n n SER 52 Ca 0.00 -1.28 0.13 0.00 -0.26 0.00 0.00 58.87 57.45 1x5n n SER 52 Cb 0.47 0.01 0.54 0.00 -0.26 0.00 0.00 64.21 64.96 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 0.04 1.04 5.85 -1.90 0.27 115.31 120.61 1x5n h LEU 53 Ca -0.05 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.31 1x5n h LEU 53 Cb 0.18 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1x5n h LEU 53 CO 0.08 0.00 -1.99 -1.54 -0.34 0.00 0.00 178.44 174.66 1x5n n SER 54 N -2.36 1.98 -0.07 1.25 3.41 -1.26 -4.17 113.62 112.40 1x5n n SER 54 Ca 0.02 0.24 -0.12 0.00 -0.26 0.00 0.00 58.87 58.75 1x5n n SER 54 Cb 0.22 -0.80 -0.05 0.00 -0.26 0.00 0.00 64.21 63.32 1x5n n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5n h ALA 55 N -0.35 0.28 -1.36 7.33 0.00 -1.71 1.90 119.26 125.35 1x5n h ALA 55 Ca -0.49 -0.22 0.41 0.00 0.00 0.00 0.00 54.91 54.60 1x5n h ALA 55 Cb 1.70 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 19.32 1x5n h ALA 55 CO -0.15 0.01 0.93 1.05 0.00 0.00 0.00 179.25 181.09 1x5n h GLU 56 N 0.12 0.10 0.00 0.00 4.11 -0.67 1.52 114.58 119.76 1x5n h GLU 56 Ca 0.06 -0.01 -0.19 0.00 0.07 0.00 0.00 59.36 59.29 1x5n h GLU 56 Cb 0.42 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1x5n h GLU 56 CO 0.01 0.07 -1.82 1.33 0.07 0.00 0.00 179.01 178.67 1x5n n VAL 57 N -4.39 1.00 0.00 -1.06 0.24 -0.99 -4.99 118.33 108.14 1x5n n VAL 57 Ca 0.33 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1x5n n VAL 57 Cb 1.40 -0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 1x5n n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x5n n GLY 58 N 1.47 1.37 3.75 7.63 0.00 0.52 -5.02 105.19 114.91 1x5n n GLY 58 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 4.58 0.22 0.99 1.43 0.61 -4.93 118.68 121.58 1x5n s LEU 59 Ca 0.00 1.77 0.02 0.00 -1.03 0.00 0.00 54.13 54.89 1x5n s LEU 59 Cb 0.00 -3.47 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 1x5n s LEU 59 CO 0.00 0.11 0.05 -1.61 0.23 0.00 0.00 176.35 175.13 1x5n s GLU 60 N -0.80 1.28 0.28 1.70 2.02 -1.26 -4.35 118.70 117.57 1x5n s GLU 60 Ca 0.40 -1.66 -0.30 0.00 0.02 0.00 0.00 54.97 53.43 1x5n s GLU 60 Cb -0.24 -0.27 -0.12 0.00 0.10 0.00 0.00 34.13 33.59 1x5n s GLU 60 CO 0.29 -0.22 1.47 -0.89 0.02 0.00 0.00 175.26 175.93 1x5n n ILE 61 N -0.36 1.12 0.00 -1.63 5.41 -1.26 -1.88 119.36 120.76 1x5n n ILE 61 Ca -0.03 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.44 1x5n n ILE 61 Cb 0.65 -1.69 0.00 0.00 -0.71 0.00 0.00 39.64 37.89 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 1.96 2.20 3.54 7.39 0.00 -1.20 -4.62 105.19 114.45 1x5n n GLY 62 Ca 0.09 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 0.09 1.52 -4.68 1.61 8.00 -0.79 -0.80 116.55 121.50 1x5n n ASP 63 Ca 0.00 -0.54 -0.42 0.00 0.71 0.00 0.00 54.79 54.54 1x5n n ASP 63 Cb 0.00 -1.38 -0.04 0.00 -0.02 0.00 0.00 41.12 39.68 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 8.47 4.36 -0.47 -1.24 0.74 -1.26 -3.11 119.66 127.15 1x5n s GLN 64 Ca 1.08 1.12 -0.28 0.00 0.05 0.00 0.00 55.36 57.33 1x5n s GLN 64 Cb -0.45 -3.55 0.01 0.00 1.10 0.00 0.00 33.01 30.13 1x5n s GLN 64 CO 0.30 -0.27 1.39 0.42 -0.55 0.00 0.00 175.29 176.58 1x5n s ILE 65 N 1.93 3.89 -0.06 -2.34 1.01 0.49 -3.59 121.20 122.52 1x5n s ILE 65 Ca 0.42 0.86 0.21 0.00 0.00 0.00 0.00 60.65 62.14 1x5n s ILE 65 Cb -0.17 -4.32 -0.31 0.00 0.01 0.00 0.00 42.46 37.67 1x5n s ILE 65 CO 0.15 -0.92 0.46 1.33 0.00 0.00 0.00 174.94 175.96 1x5n n VAL 66 N 6.99 0.23 -3.67 2.92 0.24 -0.85 -4.13 118.33 120.07 1x5n n VAL 66 Ca 0.15 -0.55 -0.14 0.00 -2.04 0.00 0.00 64.34 61.76 1x5n n VAL 66 Cb 0.49 -0.09 -0.07 0.00 -1.47 0.00 0.00 33.84 32.70 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 -3.37 0.88 -0.23 7.34 2.12 -1.18 -1.81 118.70 122.45 1x5n s GLU 67 Ca -0.08 -0.24 -0.05 0.00 0.36 0.00 0.00 54.97 54.96 1x5n s GLU 67 Cb 0.13 0.40 0.12 0.00 0.26 0.00 0.00 34.13 35.03 1x5n s GLU 67 CO 0.89 -0.29 0.42 0.08 -0.54 0.00 0.00 175.26 175.83 1x5n s VAL 68 N -2.04 -0.67 -1.68 3.70 1.01 -1.03 -0.01 120.40 119.68 1x5n s VAL 68 Ca -0.08 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1x5n s VAL 68 Cb -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1x5n s VAL 68 CO 0.01 -0.01 0.00 -3.20 0.00 0.00 0.00 175.10 171.90 1x5n n ASN 69 N 5.39 -4.74 0.00 3.32 2.85 0.55 0.74 115.26 123.36 1x5n n ASN 69 Ca -0.06 0.28 0.00 0.00 -0.11 0.00 0.00 54.58 54.69 1x5n n ASN 69 Cb 0.50 -4.15 0.00 0.00 1.24 0.00 0.00 39.78 37.37 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 -0.57 0.68 3.93 8.20 0.00 -1.26 -4.89 105.19 111.28 1x5n n GLY 70 Ca -0.19 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 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 5.08 -1.00 1.61 1.01 0.23 -5.02 120.40 120.30 1x5n s VAL 71 Ca 0.00 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 1x5n s VAL 71 Cb 0.00 -3.83 0.17 0.00 0.00 0.00 0.00 36.38 32.72 1x5n s VAL 71 CO 0.00 -0.51 1.14 -0.62 0.00 0.00 0.00 175.10 175.11 1x5n s ASP 72 N -3.83 6.84 -0.24 3.32 -1.08 -1.26 -2.46 116.67 117.96 1x5n s ASP 72 Ca 0.41 -2.57 0.06 0.00 -0.52 0.00 0.00 52.55 49.93 1x5n s ASP 72 Cb -0.10 -2.35 0.50 0.00 -1.46 0.00 0.00 42.92 39.51 1x5n s ASP 72 CO 0.35 -0.81 1.50 0.49 0.52 0.00 0.00 175.17 177.22 1x5n n PHE 73 N 5.45 1.79 0.09 -5.34 3.01 -0.75 -4.12 117.46 117.59 1x5n n PHE 73 Ca 0.25 -1.01 -0.16 0.00 1.01 0.00 0.00 57.45 57.55 1x5n n PHE 73 Cb 0.46 -0.57 -0.14 0.00 -0.01 0.00 0.00 39.48 39.22 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 1.55 0.40 -0.85 4.37 0.87 -1.70 -3.37 113.55 114.83 1x5n h SER 74 Ca 0.24 -0.46 -0.36 0.00 -1.23 0.00 0.00 61.79 59.99 1x5n h SER 74 Cb 1.94 -0.13 -0.40 0.00 -0.44 0.00 0.00 62.40 63.36 1x5n h SER 74 CO 0.57 1.36 -1.10 0.59 -0.53 0.00 0.00 176.83 177.72 1x5n n ASN 75 N -3.51 2.06 -2.09 6.23 4.13 -1.26 -4.17 115.26 116.65 1x5n n ASN 75 Ca -0.10 -2.66 0.00 0.00 1.68 0.00 0.00 54.58 53.50 1x5n n ASN 75 Cb 1.03 -0.49 0.00 0.00 -1.54 0.00 0.00 39.78 38.77 1x5n n ASN 75 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x5n n LEU 76 N -0.32 0.00 -4.36 3.41 4.77 -1.26 -5.02 117.00 114.22 1x5n n LEU 76 Ca 0.14 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.94 1x5n n LEU 76 Cb 0.81 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.79 1x5n n LEU 76 CO 0.22 -0.34 -0.26 -0.62 -1.33 0.00 0.00 177.39 175.06 1x5n s ASP 77 N -1.00 1.54 0.00 -1.43 2.15 -1.26 -4.77 116.67 111.91 1x5n s ASP 77 Ca 0.00 -1.39 0.17 0.00 0.43 0.00 0.00 52.55 51.76 1x5n s ASP 77 Cb 0.00 0.10 0.85 0.00 -0.30 0.00 0.00 42.92 43.58 1x5n s ASP 77 CO 0.00 -0.70 1.51 1.57 -0.17 0.00 0.00 175.17 177.38 1x5n n HIS 78 N -0.53 0.00 -0.06 -5.34 -0.00 -1.26 0.54 115.22 108.56 1x5n n HIS 78 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.63 1x5n n HIS 78 Cb 0.66 -0.31 -0.07 0.00 -0.00 0.00 0.00 29.99 30.27 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 -1.31 0.90 0.09 1.57 5.02 -1.26 -4.01 118.16 119.17 1x5n n LYS 79 Ca 0.08 0.05 -0.16 0.00 -2.02 0.00 0.00 58.31 56.26 1x5n n LYS 79 Cb 0.14 -1.28 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 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 0.40 -0.05 1.97 5.08 -1.88 0.20 114.58 120.30 1x5n h GLU 80 Ca -0.30 -0.54 -0.14 0.00 -1.00 0.00 0.00 59.36 57.38 1x5n h GLU 80 Cb 1.53 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 1x5n h GLU 80 CO -0.03 1.21 -0.61 0.00 -1.00 0.00 0.00 179.01 178.58 1x5n h ALA 81 N 0.58 0.90 0.24 3.43 0.00 -0.16 -0.42 119.26 123.83 1x5n h ALA 81 Ca -0.13 -0.55 -0.34 0.00 0.00 0.00 0.00 54.91 53.90 1x5n h ALA 81 Cb 1.81 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 19.54 1x5n h ALA 81 CO 0.20 0.74 -1.52 0.28 0.00 0.00 0.00 179.25 178.94 1x5n h VAL 82 N 0.12 1.21 -0.62 0.00 2.07 -1.69 -1.12 116.25 116.23 1x5n h VAL 82 Ca -0.01 -2.65 -0.02 0.00 0.82 0.00 0.00 66.70 64.84 1x5n h VAL 82 Cb 1.10 2.99 -0.03 0.00 -1.52 0.00 0.00 31.29 33.83 1x5n h VAL 82 CO 0.09 0.82 0.32 -1.13 0.02 0.00 0.00 177.57 177.68 1x5n h ASN 83 N 0.12 0.79 0.66 0.57 -1.24 -0.53 1.60 115.58 117.55 1x5n h ASN 83 Ca -0.27 -0.11 -0.15 0.00 0.71 0.00 0.00 56.30 56.47 1x5n h ASN 83 Cb 2.14 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 40.97 1x5n h ASN 83 CO 0.25 0.68 -0.71 0.58 -1.29 0.00 0.00 177.43 176.95 1x5n h VAL 84 N 0.85 1.49 0.01 2.57 2.07 -1.15 0.80 116.25 122.88 1x5n h VAL 84 Ca 0.22 -2.38 -0.19 0.00 0.82 0.00 0.00 66.70 65.16 1x5n h VAL 84 Cb 0.08 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1x5n h VAL 84 CO -0.03 0.68 -0.88 -0.07 0.02 0.00 0.00 177.57 177.30 1x5n h LEU 85 N 0.02 0.10 -0.09 2.57 3.38 -0.41 -3.04 115.31 117.84 1x5n h LEU 85 Ca -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1x5n h LEU 85 Cb 1.25 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1x5n h LEU 85 CO 0.09 0.92 -0.66 2.29 0.09 0.00 0.00 178.44 181.18 1x5n n LYS 86 N -3.57 0.12 0.17 1.13 2.85 0.54 -4.35 118.16 115.05 1x5n n LYS 86 Ca -0.02 -0.09 -0.13 0.00 -1.05 0.00 0.00 58.31 57.03 1x5n n LYS 86 Cb 0.82 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.63 1x5n n LYS 86 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1x5n h SER 87 N 0.21 -1.08 -2.09 -5.58 0.02 0.75 -3.44 113.55 102.33 1x5n h SER 87 Ca 0.00 0.10 -0.60 0.00 -0.84 0.00 0.00 61.79 60.45 1x5n h SER 87 Cb 0.51 0.37 -0.14 0.00 0.14 0.00 0.00 62.40 63.29 1x5n h SER 87 CO 0.00 -0.46 -0.68 -0.55 -1.14 0.00 0.00 176.83 173.99 1x5n s SER 88 N -3.89 3.59 -0.03 3.07 0.15 -1.26 -5.08 113.70 110.26 1x5n s SER 88 Ca -0.13 -1.20 -0.06 0.00 0.70 0.00 0.00 55.95 55.27 1x5n s SER 88 Cb 0.04 -0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 63.99 1x5n s SER 88 CO 0.44 -0.22 0.39 0.03 1.20 0.00 0.00 173.24 175.08 1x5n h ARG 89 N 2.06 -0.21 -6.09 5.44 2.47 -1.86 -3.44 114.38 112.76 1x5n h ARG 89 Ca -0.42 0.01 -0.57 0.00 -1.26 0.00 0.00 59.98 57.74 1x5n h ARG 89 Cb 1.25 0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 29.56 1x5n h ARG 89 CO 0.70 -0.14 0.62 -1.12 0.56 0.00 0.00 179.97 180.59 1x5n s SER 90 N -3.98 7.10 0.01 7.04 0.01 -1.25 -2.56 113.70 120.07 1x5n s SER 90 Ca -0.03 1.36 -0.01 0.00 1.31 0.00 0.00 55.95 58.58 1x5n s SER 90 Cb 0.00 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 1x5n s SER 90 CO 0.10 -0.53 0.01 -0.76 0.41 0.00 0.00 173.24 172.46 1x5n s LEU 91 N 2.59 2.09 -0.48 2.44 1.43 -0.54 -4.99 118.68 121.21 1x5n s LEU 91 Ca 0.44 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 1x5n s LEU 91 Cb -0.16 0.21 0.11 0.00 0.03 0.00 0.00 46.19 46.38 1x5n s LEU 91 CO 0.11 -0.29 0.38 -0.89 0.23 0.00 0.00 176.35 175.89 1x5n s THR 92 N -1.33 4.51 0.10 5.49 2.01 -1.26 -0.31 115.64 124.84 1x5n s THR 92 Ca -0.15 -1.63 -0.18 0.00 0.31 0.00 0.00 61.69 60.04 1x5n s THR 92 Cb -0.09 -3.91 -0.07 0.00 0.01 0.00 0.00 72.50 68.45 1x5n s THR 92 CO -0.00 -0.75 0.58 -0.63 -0.69 0.00 0.00 174.62 173.12 1x5n s ILE 93 N 1.44 4.75 -0.31 1.82 1.01 -0.08 0.21 121.20 130.04 1x5n s ILE 93 Ca 0.05 1.15 0.03 0.00 0.00 0.00 0.00 60.65 61.88 1x5n s ILE 93 Cb -0.27 -3.87 0.09 0.00 0.01 0.00 0.00 42.46 38.42 1x5n s ILE 93 CO 0.01 0.48 -0.00 -0.44 0.00 0.00 0.00 174.94 174.98 1x5n s SER 94 N -1.26 4.56 0.36 3.58 0.01 0.99 -0.29 113.70 121.65 1x5n s SER 94 Ca 0.32 -1.83 0.07 0.00 1.31 0.00 0.00 55.95 55.82 1x5n s SER 94 Cb -0.19 -1.52 -0.00 0.00 0.21 0.00 0.00 66.02 64.52 1x5n s SER 94 CO 0.19 -0.32 0.50 0.27 0.41 0.00 0.00 173.24 174.30 1x5n s ILE 95 N 1.04 3.70 -0.37 1.44 -4.36 -0.97 -2.01 121.20 119.68 1x5n s ILE 95 Ca 0.04 -1.00 0.06 0.00 -0.26 0.00 0.00 60.65 59.49 1x5n s ILE 95 Cb -0.19 -3.27 0.55 0.00 1.25 0.00 0.00 42.46 40.80 1x5n s ILE 95 CO -0.08 -0.10 1.64 0.52 0.24 0.00 0.00 174.94 177.15 1x5n n VAL 96 N -1.71 2.85 -2.95 8.37 0.31 -1.24 -0.66 118.33 123.31 1x5n n VAL 96 Ca 0.03 -2.62 -0.01 0.00 -0.01 0.00 0.00 64.34 61.72 1x5n n VAL 96 Cb 0.58 -0.49 -0.01 0.00 -0.91 0.00 0.00 33.84 33.01 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 -1.09 -2.22 -3.89 3.52 0.00 -1.26 -3.57 120.51 112.00 1x5n n ALA 97 Ca 0.45 0.62 -0.36 0.00 0.00 0.00 0.00 53.44 54.15 1x5n n ALA 97 Cb 1.20 -1.54 0.02 0.00 0.00 0.00 0.00 19.45 19.13 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 1.78 -2.47 0.35 0.00 0.00 -1.26 -4.87 120.51 114.04 1x5n n ALA 98 Ca -0.10 -0.38 -0.14 0.00 0.00 0.00 0.00 53.44 52.82 1x5n n ALA 98 Cb 0.28 -3.07 -0.07 0.00 0.00 0.00 0.00 19.45 16.58 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 1.12 -1.04 -1.85 0.00 0.00 -1.27 -3.33 119.26 112.88 1x5n h ALA 99 Ca -0.68 -0.20 -0.68 0.00 0.00 0.00 0.00 54.91 53.35 1x5n h ALA 99 Cb 1.38 0.36 -0.36 0.00 0.00 0.00 0.00 17.79 19.17 1x5n h ALA 99 CO 0.53 -0.98 0.07 0.41 0.00 0.00 0.00 179.25 179.28 1x5n n GLY 100 N -0.88 5.84 0.20 0.00 0.00 0.02 -4.75 105.19 105.63 1x5n n GLY 100 Ca -0.11 -2.70 0.08 0.00 0.00 0.00 0.00 46.02 43.28 1x5n n GLY 100 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x5n h ARG 101 N 3.50 0.00 0.00 1.61 3.08 -1.69 -2.56 114.38 118.32 1x5n h ARG 101 Ca 0.30 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.32 1x5n h ARG 101 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1x5n h ARG 101 CO 0.97 0.30 -0.14 1.05 -1.07 0.00 0.00 179.97 181.08 1x5n h GLU 102 N 0.00 0.00 0.00 0.04 4.11 -1.90 -2.30 114.58 114.53 1x5n h GLU 102 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1x5n h GLU 102 Cb 0.83 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1x5n h GLU 102 CO 0.04 0.14 -0.02 -0.07 0.07 0.00 0.00 179.01 179.18 1x5n h LEU 103 N 0.00 0.00 -4.41 3.06 3.38 -1.85 -2.15 115.31 113.34 1x5n h LEU 103 Ca -0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1x5n h LEU 103 Cb 0.63 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.97 1x5n h LEU 103 CO 0.02 0.02 -0.61 0.49 0.09 0.00 0.00 178.44 178.44 1x5n n PHE 104 N -3.31 3.28 -2.25 1.13 3.72 -0.86 -5.02 117.46 114.15 1x5n n PHE 104 Ca -0.02 -2.92 -0.41 0.00 -0.05 0.00 0.00 57.45 54.05 1x5n n PHE 104 Cb 0.12 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.43 1x5n n PHE 104 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1x5n s MET 105 N -3.59 3.09 0.61 -1.08 -1.94 -0.81 -4.74 119.30 110.84 1x5n s MET 105 Ca 0.49 0.57 0.00 0.00 -1.71 0.00 0.00 55.69 55.04 1x5n s MET 105 Cb 0.41 -4.22 0.00 0.00 2.01 0.00 0.00 34.83 33.03 1x5n s MET 105 CO -0.16 -2.19 0.00 2.41 -0.01 0.00 0.00 175.02 175.07 1x5n n THR 106 N 7.00 -2.49 -3.62 2.05 -1.04 -1.26 -5.08 114.28 109.85 1x5n n THR 106 Ca 0.15 1.35 -0.04 0.00 -2.04 0.00 0.00 64.05 63.48 1x5n n THR 106 Cb 0.50 -2.22 -0.03 0.00 -1.82 0.00 0.00 70.33 66.76 1x5n n THR 106 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1x5n s ASP 107 N -5.85 -0.10 0.00 8.00 1.47 -1.26 -5.16 116.67 113.78 1x5n s ASP 107 Ca 0.00 0.05 0.00 0.00 1.18 0.00 0.00 52.55 53.78 1x5n s ASP 107 Cb 0.00 0.09 -0.04 0.00 -0.34 0.00 0.00 42.92 42.63 1x5n s ASP 107 CO 0.00 -0.13 0.05 -0.60 0.68 0.00 0.00 175.17 175.17 1x5n s ARG 108 N -1.74 2.94 -0.26 2.11 3.00 -1.26 -5.09 118.95 118.66 1x5n s ARG 108 Ca 0.09 -0.55 -0.02 0.00 -1.00 0.00 0.00 55.73 54.26 1x5n s ARG 108 Cb -0.01 -2.78 0.14 0.00 0.00 0.00 0.00 34.95 32.31 1x5n s ARG 108 CO -0.05 0.63 0.40 0.45 0.00 0.00 0.00 175.30 176.74 1x5n s SER 109 N -1.70 0.14 0.21 -2.12 0.15 -1.26 -5.16 113.70 103.97 1x5n s SER 109 Ca 0.22 0.14 0.01 0.00 0.70 0.00 0.00 55.95 57.02 1x5n s SER 109 Cb -0.12 1.20 -0.00 0.00 -1.71 0.00 0.00 66.02 65.39 1x5n s SER 109 CO 0.13 -0.31 0.04 0.61 1.20 0.00 0.00 173.24 174.91 1x5n n GLY 110 N 5.37 3.80 3.82 9.45 0.00 -1.26 -5.15 105.19 121.22 1x5n n GLY 110 Ca -0.02 -2.13 -0.31 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.77 3.01 -0.29 1.61 0.04 -1.26 -5.07 135.00 130.27 1x5n s PRO 111 Ca 0.05 0.99 -0.19 0.00 0.04 0.00 0.00 61.00 61.89 1x5n s PRO 111 Cb 0.00 -2.00 0.15 0.00 0.04 0.00 0.00 34.50 32.70 1x5n s PRO 111 CO 0.04 -1.04 1.06 -1.54 0.04 0.00 0.00 177.00 175.55 1x5n s SER 112 N -3.66 -0.40 -0.29 6.66 1.04 -1.26 -5.16 113.70 110.63 1x5n s SER 112 Ca 0.59 0.67 -0.12 0.00 0.48 0.00 0.00 55.95 57.57 1x5n s SER 112 Cb -0.14 1.03 0.12 0.00 0.10 0.00 0.00 66.02 67.12 1x5n s SER 112 CO 0.52 -0.11 0.68 -0.44 0.98 0.00 0.00 173.24 174.88 1x5n s SER 113 N 0.97 -1.05 0.00 7.02 0.01 -1.26 -5.34 113.70 114.05 1x5n s SER 113 Ca -0.05 1.52 0.26 0.00 1.31 0.00 0.00 55.95 58.98 1x5n s SER 113 Cb -0.04 1.97 0.54 0.00 0.21 0.00 0.00 66.02 68.71 1x5n s SER 113 CO -0.13 -0.22 1.46 0.61 0.41 0.00 0.00 173.24 175.37