#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 0.11 -0.17 1.61 0.15 -1.26 -5.05 113.70 109.10 1x5n s SER 2 Ca 0.00 -0.63 -0.11 0.00 0.70 0.00 0.00 55.95 55.91 1x5n s SER 2 Cb 0.00 0.34 0.04 0.00 -1.71 0.00 0.00 66.02 64.69 1x5n s SER 2 CO 0.00 -0.72 0.23 -0.24 1.20 0.00 0.00 173.24 173.71 1x5n n SER 3 N -0.01 -1.11 0.00 5.45 2.88 -1.26 -5.07 113.62 114.50 1x5n n SER 3 Ca -0.15 1.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1x5n n SER 3 Cb 0.62 -4.97 0.00 0.00 -0.75 0.00 0.00 64.21 59.11 1x5n n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5n n GLY 4 N 1.81 3.90 3.16 0.46 0.00 -1.26 -5.17 105.19 108.08 1x5n n GLY 4 Ca -0.39 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 1.56 0.01 1.61 1.04 -1.26 -5.04 113.70 111.63 1x5n s SER 5 Ca 0.00 -0.62 0.16 0.00 0.48 0.00 0.00 55.95 55.97 1x5n s SER 5 Cb 0.00 -0.04 -0.18 0.00 0.10 0.00 0.00 66.02 65.91 1x5n s SER 5 CO 0.00 -0.11 0.71 -0.24 0.98 0.00 0.00 173.24 174.58 1x5n n SER 6 N 1.24 0.76 -1.30 7.02 2.88 -1.26 -5.08 113.62 117.89 1x5n n SER 6 Ca -0.21 0.34 0.15 0.00 -1.33 0.00 0.00 58.87 57.82 1x5n n SER 6 Cb 0.54 0.24 -0.07 0.00 -0.75 0.00 0.00 64.21 64.18 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 1.46 -2.48 3.57 0.46 0.00 -1.26 -4.78 105.19 102.16 1x5n n GLY 7 Ca -0.13 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 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 -6.70 5.69 -0.08 1.61 0.15 -1.26 -4.99 113.70 108.12 1x5n s SER 8 Ca 0.00 -0.03 -0.22 0.00 0.70 0.00 0.00 55.95 56.41 1x5n s SER 8 Cb 0.00 -2.02 -0.17 0.00 -1.71 0.00 0.00 66.02 62.11 1x5n s SER 8 CO 0.00 0.02 0.81 1.55 1.20 0.00 0.00 173.24 176.83 1x5n h PRO 9 N 7.81 -0.11 -2.99 5.44 0.13 -2.06 -3.50 132.00 136.72 1x5n h PRO 9 Ca -0.37 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1x5n h PRO 9 Cb 1.18 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x5n h PRO 9 CO 0.61 0.44 -0.36 0.41 -0.23 0.00 0.00 178.00 178.87 1x5n n GLY 10 N 0.93 -3.88 3.57 1.56 0.00 -1.26 -4.98 105.19 101.12 1x5n n GLY 10 Ca -0.08 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 1x5n n GLY 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x5n s ASN 11 N -0.21 5.98 0.00 1.61 2.47 -1.26 -5.00 114.94 118.52 1x5n s ASN 11 Ca -0.00 -0.12 0.00 0.00 0.42 0.00 0.00 52.86 53.16 1x5n s ASN 11 Cb 0.00 -2.11 0.00 0.00 -1.45 0.00 0.00 41.25 37.69 1x5n s ASN 11 CO 0.01 -0.09 0.00 -1.14 -3.72 0.00 0.00 177.10 172.16 1x5n n ARG 12 N 5.06 0.00 -3.15 0.43 0.63 -1.26 -5.15 116.66 113.22 1x5n n ARG 12 Ca -0.14 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 56.85 1x5n n ARG 12 Cb 0.51 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.41 1x5n n ARG 12 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1x5n s GLU 13 N 0.00 0.13 -0.06 -0.14 2.02 -1.26 -5.06 118.70 114.33 1x5n s GLU 13 Ca 0.00 0.22 -0.20 0.00 0.02 0.00 0.00 54.97 55.01 1x5n s GLU 13 Cb 0.00 0.12 -0.15 0.00 0.10 0.00 0.00 34.13 34.20 1x5n s GLU 13 CO 0.00 -0.16 0.81 -0.91 0.02 0.00 0.00 175.26 175.02 1x5n h ASN 14 N 7.90 -0.17 -4.20 -0.19 2.35 -2.03 -3.46 115.58 115.78 1x5n h ASN 14 Ca -0.12 -0.36 -0.46 0.00 -0.55 0.00 0.00 56.30 54.81 1x5n h ASN 14 Cb 1.18 0.04 0.13 0.00 0.05 0.00 0.00 38.32 39.72 1x5n h ASN 14 CO -0.14 0.40 0.29 -1.59 -1.65 0.00 0.00 177.43 174.74 1x5n s LYS 15 N -3.23 1.03 -0.17 0.81 0.00 -1.26 -4.66 119.74 112.26 1x5n s LYS 15 Ca -0.12 0.27 -0.04 0.00 0.00 0.00 0.00 55.97 56.08 1x5n s LYS 15 Cb 0.00 -1.83 0.02 0.00 0.00 0.00 0.00 37.83 36.02 1x5n s LYS 15 CO 0.45 -2.27 0.09 0.39 0.00 0.00 0.00 175.35 174.01 1x5n n GLU 16 N -3.81 -3.05 -4.68 1.78 1.02 -1.25 -4.98 120.64 105.67 1x5n n GLU 16 Ca 0.07 2.48 -0.31 0.00 -0.02 0.00 0.00 57.16 59.38 1x5n n GLU 16 Cb 0.59 -3.86 -0.13 0.00 -0.02 0.00 0.00 31.44 28.03 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 -0.93 2.08 -0.05 3.49 -2.85 -0.39 -4.98 119.74 116.11 1x5n s LYS 17 Ca -0.10 -0.97 -0.16 0.00 -1.00 0.00 0.00 55.97 53.73 1x5n s LYS 17 Cb 0.01 -2.19 -0.05 0.00 -2.06 0.00 0.00 37.83 33.54 1x5n s LYS 17 CO 0.54 0.54 0.44 0.21 0.10 0.00 0.00 175.35 177.18 1x5n s LYS 18 N -1.40 4.13 -0.11 1.78 2.20 -1.26 -2.14 119.74 122.94 1x5n s LYS 18 Ca 0.14 0.43 -0.02 0.00 -0.36 0.00 0.00 55.97 56.16 1x5n s LYS 18 Cb -0.10 -3.32 0.04 0.00 -1.51 0.00 0.00 37.83 32.93 1x5n s LYS 18 CO 0.05 0.44 0.01 0.14 -0.36 0.00 0.00 175.35 175.64 1x5n s VAL 19 N -0.29 0.40 -0.42 4.02 -7.23 0.95 -5.01 120.40 112.82 1x5n s VAL 19 Ca 0.24 -0.08 -0.18 0.00 -1.81 0.00 0.00 61.98 60.15 1x5n s VAL 19 Cb -0.16 -0.67 0.02 0.00 0.56 0.00 0.00 36.38 36.13 1x5n s VAL 19 CO 0.12 0.11 0.50 0.12 -0.31 0.00 0.00 175.10 175.64 1x5n s PHE 20 N 1.95 3.14 -0.37 2.82 2.19 -1.26 0.39 117.98 126.83 1x5n s PHE 20 Ca 0.03 -0.23 -0.10 0.00 0.33 0.00 0.00 56.93 56.96 1x5n s PHE 20 Cb -0.14 -3.03 0.03 0.00 -1.31 0.00 0.00 43.02 38.57 1x5n s PHE 20 CO -0.06 -0.74 0.19 0.42 1.83 0.00 0.00 175.22 176.86 1x5n s ILE 21 N 2.36 4.39 -0.10 3.12 -1.09 0.61 -4.95 121.20 125.54 1x5n s ILE 21 Ca 0.16 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 57.63 1x5n s ILE 21 Cb -0.16 -3.48 -0.02 0.00 -1.58 0.00 0.00 42.46 37.22 1x5n s ILE 21 CO 0.15 -0.24 -0.11 -0.94 -1.23 0.00 0.00 174.94 172.56 1x5n s SER 22 N 1.55 4.21 -0.88 3.58 1.04 -1.25 -1.30 113.70 120.64 1x5n s SER 22 Ca 0.01 -0.21 -0.14 0.00 0.48 0.00 0.00 55.95 56.09 1x5n s SER 22 Cb -0.19 -1.32 -0.10 0.00 0.10 0.00 0.00 66.02 64.51 1x5n s SER 22 CO 0.06 0.26 2.03 0.18 0.98 0.00 0.00 173.24 176.75 1x5n n LEU 23 N 2.93 4.65 0.00 2.42 7.99 -0.32 -4.71 117.00 129.96 1x5n n LEU 23 Ca -0.18 -2.96 0.00 0.00 -0.01 0.00 0.00 56.01 52.87 1x5n n LEU 23 Cb 0.53 -1.13 0.00 0.00 -0.11 0.00 0.00 43.42 42.70 1x5n n LEU 23 CO 0.29 0.19 0.00 1.33 -1.51 0.00 0.00 177.39 177.69 1x5n n VAL 24 N 5.08 0.00 -3.92 4.08 0.24 -1.26 -4.89 118.33 117.66 1x5n n VAL 24 Ca 0.47 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.51 1x5n n VAL 24 Cb 0.27 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 1x5n n VAL 24 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x5n n GLY 25 N 0.00 -0.32 3.64 7.63 0.00 -1.26 -2.70 105.19 112.18 1x5n n GLY 25 Ca 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1x5n n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5n n SER 26 N -2.93 -5.25 -3.52 1.61 3.41 -1.26 -4.97 113.62 100.71 1x5n n SER 26 Ca -0.19 -0.56 -0.08 0.00 -0.26 0.00 0.00 58.87 57.78 1x5n n SER 26 Cb 0.63 -1.79 -0.02 0.00 -0.26 0.00 0.00 64.21 62.77 1x5n n SER 26 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1x5n s ARG 27 N -3.73 0.86 0.00 4.33 0.52 -1.10 -5.06 118.95 114.77 1x5n s ARG 27 Ca 0.18 -0.33 0.19 0.00 -0.52 0.00 0.00 55.73 55.25 1x5n s ARG 27 Cb -0.02 0.38 0.32 0.00 0.52 0.00 0.00 34.95 36.15 1x5n s ARG 27 CO 0.88 -0.38 1.12 0.41 0.02 0.00 0.00 175.30 177.36 1x5n n GLY 28 N -0.26 0.87 0.68 -3.53 0.00 -1.26 -4.24 105.19 97.45 1x5n n GLY 28 Ca -0.09 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 0.37 -3.45 -0.63 0.99 7.94 -1.26 -4.95 117.00 116.01 1x5n n LEU 29 Ca -0.03 1.20 0.06 0.00 -1.11 0.00 0.00 56.01 56.13 1x5n n LEU 29 Cb 1.03 -0.53 0.12 0.00 0.53 0.00 0.00 43.42 44.57 1x5n n LEU 29 CO -0.06 -0.20 0.34 0.61 -1.11 0.00 0.00 177.39 176.96 1x5n n GLY 30 N -0.20 3.46 3.56 -3.96 0.00 -1.26 -4.92 105.19 101.87 1x5n n GLY 30 Ca 0.00 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.76 4.91 0.02 0.00 0.15 0.30 -4.96 113.70 112.37 1x5n s SER 32 Ca 0.19 0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.88 1x5n s SER 32 Cb -0.11 -1.38 -0.04 0.00 -1.71 0.00 0.00 66.02 62.79 1x5n s SER 32 CO 0.10 0.34 0.04 0.27 1.20 0.00 0.00 173.24 175.20 1x5n s ILE 33 N -0.69 4.41 0.18 6.45 -4.36 -1.26 0.12 121.20 126.06 1x5n s ILE 33 Ca 0.11 -0.61 0.07 0.00 -0.26 0.00 0.00 60.65 59.95 1x5n s ILE 33 Cb -0.12 -3.03 -0.05 0.00 1.25 0.00 0.00 42.46 40.52 1x5n s ILE 33 CO 0.02 0.29 -0.13 -0.94 0.24 0.00 0.00 174.94 174.42 1x5n s SER 34 N -1.86 2.28 0.22 4.36 1.04 0.11 -4.81 113.70 115.04 1x5n s SER 34 Ca 0.23 -1.02 -0.13 0.00 0.48 0.00 0.00 55.95 55.51 1x5n s SER 34 Cb -0.12 -0.09 -0.08 0.00 0.10 0.00 0.00 66.02 65.84 1x5n s SER 34 CO 0.15 -0.23 0.60 -0.94 0.98 0.00 0.00 173.24 173.79 1x5n s SER 35 N -3.26 6.75 0.27 7.02 1.04 -1.26 -2.04 113.70 122.22 1x5n s SER 35 Ca 0.20 1.08 0.06 0.00 0.48 0.00 0.00 55.95 57.77 1x5n s SER 35 Cb 0.01 -2.29 -0.02 0.00 0.10 0.00 0.00 66.02 63.81 1x5n s SER 35 CO 0.05 -0.03 0.38 -0.83 0.98 0.00 0.00 173.24 173.79 1x5n s GLY 36 N -2.07 1.36 0.07 7.32 0.00 -1.03 -4.92 107.32 108.04 1x5n s GLY 36 Ca 0.45 -1.33 -0.01 0.00 0.00 0.00 0.00 44.72 43.83 1x5n s GLY 36 CO 0.20 -1.31 0.08 -1.55 0.00 0.00 0.00 173.10 170.51 1x5n n PRO 37 N -1.47 -0.61 0.12 2.90 -0.04 -1.09 -4.47 135.00 130.35 1x5n n PRO 37 Ca -0.06 -0.12 -0.02 0.00 -0.04 0.00 0.00 63.50 63.25 1x5n n PRO 37 Cb 0.57 -0.10 0.13 0.00 -0.04 0.00 0.00 33.50 34.07 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 -1.31 1.47 0.00 0.52 6.09 -2.00 0.52 117.51 122.80 1x5n h ILE 38 Ca -0.03 -2.25 -0.18 0.00 -1.37 0.00 0.00 64.86 61.03 1x5n h ILE 38 Cb 0.08 2.21 -0.03 0.00 0.47 0.00 0.00 36.82 39.55 1x5n h ILE 38 CO 0.02 0.65 -0.88 0.06 -3.07 0.00 0.00 178.15 174.92 1x5n h GLN 39 N 0.02 0.00 -2.04 2.19 3.07 -2.06 -3.36 115.11 112.94 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 1.18 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.33 1x5n h GLN 39 CO 0.09 0.88 -1.11 1.17 0.09 0.00 0.00 178.83 179.95 1x5n n LYS 40 N -3.45 1.23 -2.54 0.06 3.00 -1.12 -5.11 118.16 110.24 1x5n n LYS 40 Ca -0.00 -3.56 -0.36 0.00 -0.00 0.00 0.00 58.31 54.39 1x5n n LYS 40 Cb 0.85 -1.70 -0.04 0.00 0.00 0.00 0.00 35.03 34.14 1x5n n LYS 40 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1x5n s PRO 41 N -2.34 4.09 0.00 1.64 0.04 0.18 -2.67 135.00 135.94 1x5n s PRO 41 Ca 0.40 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1x5n s PRO 41 Cb 0.31 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.39 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 0.23 0.86 3.29 0.56 0.00 -1.25 -4.85 105.19 104.02 1x5n n GLY 42 Ca 0.06 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.98 2.85 -0.02 -0.61 -1.09 -1.26 -2.48 121.20 115.61 1x5n s ILE 43 Ca 0.00 -0.70 0.02 0.00 -2.23 0.00 0.00 60.65 57.74 1x5n s ILE 43 Cb 0.00 -2.22 0.00 0.00 -1.58 0.00 0.00 42.46 38.66 1x5n s ILE 43 CO 0.00 0.50 -0.09 -0.36 -1.23 0.00 0.00 174.94 173.77 1x5n s PHE 44 N 0.88 0.87 0.45 3.97 0.40 -0.87 0.10 117.98 123.78 1x5n s PHE 44 Ca -0.03 -0.20 -0.25 0.00 -0.60 0.00 0.00 56.93 55.84 1x5n s PHE 44 Cb -0.15 -0.61 -0.08 0.00 0.51 0.00 0.00 43.02 42.69 1x5n s PHE 44 CO -0.01 -0.07 1.36 0.42 0.70 0.00 0.00 175.22 177.62 1x5n s ILE 45 N 0.10 2.33 -0.10 0.64 1.01 -1.12 0.07 121.20 124.13 1x5n s ILE 45 Ca -0.01 0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.96 1x5n s ILE 45 Cb -0.07 -3.17 -0.08 0.00 0.01 0.00 0.00 42.46 39.15 1x5n s ILE 45 CO 0.00 0.03 -0.05 -1.54 0.00 0.00 0.00 174.94 173.39 1x5n n SER 46 N -0.19 3.11 -3.59 3.58 3.41 0.32 -3.23 113.62 117.03 1x5n n SER 46 Ca 0.05 -0.03 -0.16 0.00 -0.26 0.00 0.00 58.87 58.46 1x5n n SER 46 Cb 0.43 0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 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 -2.20 -0.54 -0.18 7.33 5.65 -1.17 -4.89 115.29 119.28 1x5n s HIS 47 Ca -0.10 0.96 -0.06 0.00 0.25 0.00 0.00 55.06 56.11 1x5n s HIS 47 Cb 0.03 0.32 0.09 0.00 -1.18 0.00 0.00 32.58 31.83 1x5n s HIS 47 CO 0.28 -0.53 0.37 0.54 -0.65 0.00 0.00 174.74 174.75 1x5n s VAL 48 N -1.09 -0.58 0.61 0.89 0.11 -1.26 0.11 120.40 119.19 1x5n s VAL 48 Ca -0.11 0.18 -0.17 0.00 -2.93 0.00 0.00 61.98 58.95 1x5n s VAL 48 Cb -0.02 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 1x5n s VAL 48 CO 0.08 0.07 1.15 -0.54 -3.33 0.00 0.00 175.10 172.53 1x5n s LYS 49 N 2.55 2.97 0.15 1.54 1.02 -0.96 -4.93 119.74 122.08 1x5n s LYS 49 Ca 0.00 1.60 -0.30 0.00 0.02 0.00 0.00 55.97 57.29 1x5n s LYS 49 Cb -0.12 -1.95 -0.07 0.00 -0.52 0.00 0.00 37.83 35.16 1x5n s LYS 49 CO -0.12 -1.15 1.13 -1.25 -0.92 0.00 0.00 175.35 173.04 1x5n s PRO 50 N -3.62 4.54 0.00 -1.68 0.04 -1.26 -2.66 135.00 130.36 1x5n s PRO 50 Ca 0.72 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1x5n s PRO 50 Cb -0.25 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1x5n s PRO 50 CO 0.35 -0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.78 1x5n n GLY 51 N 2.32 2.22 0.00 0.56 0.00 -1.26 -5.01 105.19 104.02 1x5n n GLY 51 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.56 0.21 1.61 3.41 -1.09 -4.41 113.62 111.79 1x5n n SER 52 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 1x5n n SER 52 Cb 0.00 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.02 1.04 5.85 -1.91 -2.10 115.31 118.21 1x5n h LEU 53 Ca 0.00 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.35 1x5n h LEU 53 Cb 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1x5n h LEU 53 CO 0.00 0.00 -2.10 -1.20 -0.34 0.00 0.00 178.44 174.80 1x5n n SER 54 N -2.90 1.97 -0.12 1.25 7.64 -1.26 -4.12 113.62 116.09 1x5n n SER 54 Ca 0.03 0.23 0.05 0.00 1.01 0.00 0.00 58.87 60.19 1x5n n SER 54 Cb 0.43 -0.78 0.37 0.00 -1.01 0.00 0.00 64.21 63.22 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 -0.46 1.69 -0.01 -0.43 0.00 -1.72 0.22 119.26 118.55 1x5n h ALA 55 Ca -0.54 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1x5n h ALA 55 Cb 1.67 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1x5n h ALA 55 CO -0.21 0.25 0.01 1.05 0.00 0.00 0.00 179.25 180.35 1x5n h GLU 56 N 0.71 0.00 0.00 0.00 4.11 -1.56 0.13 114.58 117.98 1x5n h GLU 56 Ca 0.25 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.67 1x5n h GLU 56 Cb 0.10 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1x5n h GLU 56 CO -0.07 0.00 -0.81 1.33 0.07 0.00 0.00 179.01 179.53 1x5n n VAL 57 N -4.54 0.28 -0.31 -1.06 0.24 0.27 -4.94 118.33 108.27 1x5n n VAL 57 Ca -0.03 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1x5n n VAL 57 Cb 0.09 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 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 1.34 1.50 3.76 7.63 0.00 0.47 -5.04 105.19 114.85 1x5n n GLY 58 Ca 0.03 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 4.45 0.23 0.99 1.43 0.52 -4.95 118.68 121.34 1x5n s LEU 59 Ca 0.00 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 1x5n s LEU 59 Cb 0.00 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 1x5n s LEU 59 CO 0.00 -0.20 0.18 -1.61 0.23 0.00 0.00 176.35 174.94 1x5n s GLU 60 N -1.72 1.33 0.18 1.70 2.02 -1.26 -4.34 118.70 116.61 1x5n s GLU 60 Ca 0.48 -1.69 -0.31 0.00 0.02 0.00 0.00 54.97 53.47 1x5n s GLU 60 Cb -0.28 0.29 -0.09 0.00 0.10 0.00 0.00 34.13 34.15 1x5n s GLU 60 CO 0.36 -0.46 1.42 0.42 0.02 0.00 0.00 175.26 177.03 1x5n s ILE 61 N -4.00 2.95 0.00 -1.63 1.01 -1.26 -2.70 121.20 115.57 1x5n s ILE 61 Ca 0.39 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.77 1x5n s ILE 61 Cb 0.06 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 39.06 1x5n s ILE 61 CO 0.15 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1x5n n GLY 62 N 2.89 1.72 3.53 6.18 0.00 -1.20 -4.73 105.19 113.59 1x5n n GLY 62 Ca 0.09 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 0.08 1.46 -4.67 1.61 8.00 -1.10 -1.87 116.55 120.08 1x5n n ASP 63 Ca 0.00 -0.35 -0.42 0.00 0.71 0.00 0.00 54.79 54.73 1x5n n ASP 63 Cb 0.00 -1.33 -0.03 0.00 -0.02 0.00 0.00 41.12 39.74 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 4.30 -0.45 -1.24 0.74 -1.26 -2.81 119.66 127.46 1x5n s GLN 64 Ca 1.12 1.15 -0.28 0.00 0.05 0.00 0.00 55.36 57.40 1x5n s GLN 64 Cb -0.56 -3.59 0.00 0.00 1.10 0.00 0.00 33.01 29.96 1x5n s GLN 64 CO 0.34 -0.42 1.50 0.42 -0.55 0.00 0.00 175.29 176.57 1x5n s ILE 65 N 2.46 3.78 -0.11 -2.34 1.01 0.29 -3.53 121.20 122.75 1x5n s ILE 65 Ca 0.41 0.75 0.20 0.00 0.00 0.00 0.00 60.65 62.01 1x5n s ILE 65 Cb -0.16 -4.16 -0.23 0.00 0.01 0.00 0.00 42.46 37.91 1x5n s ILE 65 CO 0.11 -0.82 0.54 1.33 0.00 0.00 0.00 174.94 176.10 1x5n n VAL 66 N 7.09 0.62 -3.68 2.92 0.24 -0.59 -4.11 118.33 120.82 1x5n n VAL 66 Ca 0.17 -0.62 -0.13 0.00 -2.04 0.00 0.00 64.34 61.72 1x5n n VAL 66 Cb 0.48 -0.29 -0.07 0.00 -1.47 0.00 0.00 33.84 32.50 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 -3.16 0.89 -0.23 7.34 2.12 -1.12 -1.70 118.70 122.83 1x5n s GLU 67 Ca -0.06 -0.37 -0.05 0.00 0.36 0.00 0.00 54.97 54.85 1x5n s GLU 67 Cb 0.11 0.39 0.12 0.00 0.26 0.00 0.00 34.13 35.01 1x5n s GLU 67 CO 0.86 -0.30 0.41 0.08 -0.54 0.00 0.00 175.26 175.77 1x5n s VAL 68 N -2.41 -0.65 -1.48 3.70 1.01 -0.73 0.10 120.40 119.95 1x5n s VAL 68 Ca -0.06 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1x5n s VAL 68 Cb -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1x5n s VAL 68 CO -0.02 -0.03 0.00 -3.20 0.00 0.00 0.00 175.10 171.85 1x5n n ASN 69 N 5.38 -5.34 0.00 3.32 2.85 0.51 0.10 115.26 122.08 1x5n n ASN 69 Ca -0.06 0.34 0.00 0.00 -0.11 0.00 0.00 54.58 54.76 1x5n n ASN 69 Cb 0.50 -4.24 0.00 0.00 1.24 0.00 0.00 39.78 37.28 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 0.02 0.44 3.78 8.20 0.00 -1.26 -4.87 105.19 111.50 1x5n n GLY 70 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 3.77 -0.95 1.61 1.01 0.28 -4.96 120.40 119.17 1x5n s VAL 71 Ca 0.00 1.41 -0.22 0.00 0.00 0.00 0.00 61.98 63.18 1x5n s VAL 71 Cb 0.00 -3.76 0.08 0.00 0.00 0.00 0.00 36.38 32.70 1x5n s VAL 71 CO 0.00 0.06 1.29 -0.62 0.00 0.00 0.00 175.10 175.83 1x5n s ASP 72 N -1.50 6.51 -0.23 3.32 -1.08 -1.26 -1.77 116.67 120.65 1x5n s ASP 72 Ca 0.55 -1.60 0.00 0.00 -0.52 0.00 0.00 52.55 50.99 1x5n s ASP 72 Cb -0.22 -2.49 0.22 0.00 -1.46 0.00 0.00 42.92 38.97 1x5n s ASP 72 CO 0.28 -1.35 1.73 0.49 0.52 0.00 0.00 175.17 176.84 1x5n n PHE 73 N 7.94 1.29 0.11 -5.34 3.01 -0.69 -4.43 117.46 119.35 1x5n n PHE 73 Ca 0.26 -1.48 -0.05 0.00 1.01 0.00 0.00 57.45 57.19 1x5n n PHE 73 Cb 0.50 -0.73 -0.02 0.00 -0.01 0.00 0.00 39.48 39.21 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 0.96 -0.25 -1.90 4.37 0.87 -1.80 -3.39 113.55 112.41 1x5n h SER 74 Ca 0.25 0.01 -0.60 0.00 -1.23 0.00 0.00 61.79 60.22 1x5n h SER 74 Cb 1.30 0.07 -0.41 0.00 -0.44 0.00 0.00 62.40 62.91 1x5n h SER 74 CO 0.56 -0.06 -0.61 0.59 -0.53 0.00 0.00 176.83 176.77 1x5n n ASN 75 N -3.45 4.73 -2.28 6.23 3.02 -1.26 -3.83 115.26 118.41 1x5n n ASN 75 Ca -0.04 -3.71 0.00 0.00 -0.03 0.00 0.00 54.58 50.80 1x5n n ASN 75 Cb 0.12 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 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 -0.37 0.00 -4.28 3.41 4.77 -1.26 -5.01 117.00 114.25 1x5n n LEU 76 Ca 0.36 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.19 1x5n n LEU 76 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1x5n n LEU 76 CO 0.34 -0.32 -0.26 -0.62 -1.33 0.00 0.00 177.39 175.21 1x5n s ASP 77 N -1.00 0.96 0.00 -1.43 2.15 -1.26 -4.82 116.67 111.28 1x5n s ASP 77 Ca 0.00 -1.37 0.16 0.00 0.43 0.00 0.00 52.55 51.77 1x5n s ASP 77 Cb 0.00 0.21 0.76 0.00 -0.30 0.00 0.00 42.92 43.58 1x5n s ASP 77 CO 0.00 -0.74 1.47 1.57 -0.17 0.00 0.00 175.17 177.30 1x5n n HIS 78 N -0.40 0.00 -0.07 -5.34 -0.00 -1.26 0.45 115.22 108.60 1x5n n HIS 78 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 1x5n n HIS 78 Cb 0.66 -0.36 -0.08 0.00 -0.00 0.00 0.00 29.99 30.21 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 0.86 0.07 1.57 5.02 -1.26 -3.84 118.16 119.22 1x5n n LYS 79 Ca 0.06 0.06 -0.16 0.00 -2.02 0.00 0.00 58.31 56.25 1x5n n LYS 79 Cb 0.15 -1.31 -0.08 0.00 -0.02 0.00 0.00 35.03 33.77 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 0.49 -0.19 1.97 5.08 -1.87 -0.63 114.58 119.42 1x5n h GLU 80 Ca -0.34 -0.57 -0.20 0.00 -1.00 0.00 0.00 59.36 57.26 1x5n h GLU 80 Cb 1.59 0.17 0.01 0.00 0.50 0.00 0.00 28.75 31.02 1x5n h GLU 80 CO -0.03 1.20 -0.65 0.00 -1.00 0.00 0.00 179.01 178.53 1x5n h ALA 81 N 0.59 0.34 0.16 3.43 0.00 -0.25 -1.45 119.26 122.08 1x5n h ALA 81 Ca -0.11 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1x5n h ALA 81 Cb 1.69 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1x5n h ALA 81 CO 0.19 0.63 -0.08 0.28 0.00 0.00 0.00 179.25 180.27 1x5n h VAL 82 N 0.52 0.96 -0.56 0.00 2.07 -1.66 0.17 116.25 117.75 1x5n h VAL 82 Ca -0.03 -0.59 0.09 0.00 0.82 0.00 0.00 66.70 66.99 1x5n h VAL 82 Cb 1.28 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 32.30 1x5n h VAL 82 CO 0.14 0.14 0.16 -1.13 0.02 0.00 0.00 177.57 176.90 1x5n h ASN 83 N -0.50 0.10 0.69 0.57 -1.24 -1.15 1.88 115.58 115.93 1x5n h ASN 83 Ca -0.02 0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 1x5n h ASN 83 Cb 0.39 0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.53 1x5n h ASN 83 CO 0.04 0.07 -0.08 0.58 -1.29 0.00 0.00 177.43 176.75 1x5n h VAL 84 N 0.32 0.27 0.03 2.57 2.07 -1.13 1.56 116.25 121.93 1x5n h VAL 84 Ca 0.28 -0.59 -0.27 0.00 0.82 0.00 0.00 66.70 66.95 1x5n h VAL 84 Cb 0.37 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1x5n h VAL 84 CO -0.33 0.08 -1.47 -0.07 0.02 0.00 0.00 177.57 175.80 1x5n h LEU 85 N 0.00 0.09 -1.50 2.57 3.38 0.33 -3.28 115.31 116.91 1x5n h LEU 85 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1x5n h LEU 85 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1x5n h LEU 85 CO 0.01 1.13 -0.09 2.29 0.09 0.00 0.00 178.44 181.87 1x5n n LYS 86 N -3.24 1.93 0.00 1.13 2.85 0.58 -4.51 118.16 116.91 1x5n n LYS 86 Ca -0.12 -1.50 0.00 0.00 -1.05 0.00 0.00 58.31 55.64 1x5n n LYS 86 Cb 1.02 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.93 1x5n n LYS 86 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1x5n n SER 87 N 0.77 0.00 -4.47 -5.58 2.88 0.52 -4.85 113.62 102.90 1x5n n SER 87 Ca 0.14 0.98 -0.28 0.00 -1.33 0.00 0.00 58.87 58.39 1x5n n SER 87 Cb 0.51 -0.48 -0.04 0.00 -0.75 0.00 0.00 64.21 63.45 1x5n n SER 87 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x5n n SER 88 N -2.28 3.06 -0.07 -3.46 2.88 -1.26 -5.08 113.62 107.41 1x5n n SER 88 Ca 0.00 -2.92 -0.07 0.00 -1.33 0.00 0.00 58.87 54.55 1x5n n SER 88 Cb 0.00 0.21 -0.04 0.00 -0.75 0.00 0.00 64.21 63.62 1x5n n SER 88 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1x5n h ARG 89 N 0.00 0.00 -5.82 -1.46 2.47 -1.89 -3.45 114.38 104.23 1x5n h ARG 89 Ca -0.36 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 57.76 1x5n h ARG 89 Cb 1.15 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.38 1x5n h ARG 89 CO 0.59 0.32 0.45 -1.54 0.56 0.00 0.00 179.97 180.35 1x5n s SER 90 N -5.90 6.72 0.03 7.04 1.04 -1.26 -1.18 113.70 120.19 1x5n s SER 90 Ca -0.11 0.77 0.02 0.00 0.48 0.00 0.00 55.95 57.10 1x5n s SER 90 Cb 0.01 -2.42 -0.02 0.00 0.10 0.00 0.00 66.02 63.69 1x5n s SER 90 CO 0.27 -0.62 -0.07 -0.76 0.98 0.00 0.00 173.24 173.04 1x5n s LEU 91 N 2.99 2.19 -0.43 2.42 1.43 -0.42 -4.98 118.68 121.88 1x5n s LEU 91 Ca 0.34 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.95 1x5n s LEU 91 Cb -0.14 -0.21 0.11 0.00 0.03 0.00 0.00 46.19 45.97 1x5n s LEU 91 CO 0.12 -0.12 0.26 -0.89 0.23 0.00 0.00 176.35 175.94 1x5n s THR 92 N -1.04 3.75 0.01 5.49 2.01 -1.26 -0.29 115.64 124.32 1x5n s THR 92 Ca -0.06 -1.83 -0.20 0.00 0.31 0.00 0.00 61.69 59.91 1x5n s THR 92 Cb -0.08 -3.47 -0.06 0.00 0.01 0.00 0.00 72.50 68.90 1x5n s THR 92 CO 0.00 -0.67 0.58 -0.63 -0.69 0.00 0.00 174.62 173.22 1x5n s ILE 93 N 1.27 4.87 -0.32 1.82 1.01 0.16 0.19 121.20 130.20 1x5n s ILE 93 Ca 0.06 1.23 0.02 0.00 0.00 0.00 0.00 60.65 61.96 1x5n s ILE 93 Cb -0.24 -3.92 0.08 0.00 0.01 0.00 0.00 42.46 38.40 1x5n s ILE 93 CO -0.02 0.45 0.02 -0.44 0.00 0.00 0.00 174.94 174.95 1x5n s SER 94 N -0.41 4.74 0.50 3.58 0.01 0.12 -0.04 113.70 122.20 1x5n s SER 94 Ca 0.30 -1.84 0.09 0.00 1.31 0.00 0.00 55.95 55.81 1x5n s SER 94 Cb -0.18 -1.64 0.05 0.00 0.21 0.00 0.00 66.02 64.46 1x5n s SER 94 CO 0.17 -0.33 0.67 0.27 0.41 0.00 0.00 173.24 174.43 1x5n s ILE 95 N 1.02 2.52 -0.30 1.44 -4.36 -0.91 -1.54 121.20 119.07 1x5n s ILE 95 Ca 0.03 -1.03 0.08 0.00 -0.26 0.00 0.00 60.65 59.48 1x5n s ILE 95 Cb -0.20 -2.54 0.49 0.00 1.25 0.00 0.00 42.46 41.45 1x5n s ILE 95 CO -0.06 0.00 1.42 0.52 0.24 0.00 0.00 174.94 177.06 1x5n n VAL 96 N -2.04 2.56 -3.00 8.37 0.31 -1.23 -1.27 118.33 122.04 1x5n n VAL 96 Ca 0.11 -3.04 -0.01 0.00 -0.01 0.00 0.00 64.34 61.39 1x5n n VAL 96 Cb 0.61 -0.45 -0.01 0.00 -0.91 0.00 0.00 33.84 33.07 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 -1.07 -1.98 -3.82 3.52 0.00 -1.26 -3.53 120.51 112.38 1x5n n ALA 97 Ca 0.34 0.46 -0.36 0.00 0.00 0.00 0.00 53.44 53.88 1x5n n ALA 97 Cb 0.96 -1.26 0.03 0.00 0.00 0.00 0.00 19.45 19.18 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 1.87 -2.53 -0.04 0.00 0.00 -1.26 -4.89 120.51 113.66 1x5n n ALA 98 Ca -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1x5n n ALA 98 Cb 0.25 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.20 1x5n n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x5n n ALA 99 N -4.46 -0.34 -2.74 0.00 0.00 -0.91 -4.07 120.51 107.99 1x5n n ALA 99 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.95 1x5n n ALA 99 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1x5n n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x5n n GLY 100 N -0.07 5.96 0.15 0.00 0.00 -0.78 -4.72 105.19 105.72 1x5n n GLY 100 Ca 0.00 -2.64 -0.03 0.00 0.00 0.00 0.00 46.02 43.35 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 3.93 0.12 0.00 1.61 2.43 -1.71 -2.78 114.38 117.99 1x5n h ARG 101 Ca 0.42 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 1x5n h ARG 101 Cb 0.38 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1x5n h ARG 101 CO 1.09 0.70 -0.04 1.05 -1.51 0.00 0.00 179.97 181.26 1x5n h GLU 102 N 0.09 0.00 -0.30 0.20 4.11 -1.91 -0.69 114.58 116.08 1x5n h GLU 102 Ca -0.01 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.51 1x5n h GLU 102 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1x5n h GLU 102 CO 0.09 0.04 0.36 -0.07 0.07 0.00 0.00 179.01 179.49 1x5n h LEU 103 N 0.00 0.00 -5.46 3.06 3.38 -1.88 -1.57 115.31 112.84 1x5n h LEU 103 Ca -0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 1x5n h LEU 103 Cb 0.10 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.47 1x5n h LEU 103 CO 0.00 0.00 -0.13 0.49 0.09 0.00 0.00 178.44 178.90 1x5n n PHE 104 N -3.65 3.61 -3.58 1.13 3.72 -0.26 -4.94 117.46 113.49 1x5n n PHE 104 Ca 0.05 -3.46 -0.39 0.00 -0.05 0.00 0.00 57.45 53.60 1x5n n PHE 104 Cb 0.50 -0.67 -0.06 0.00 -0.94 0.00 0.00 39.48 38.31 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 -3.74 3.27 0.00 -1.08 -1.94 -0.59 -4.70 119.30 110.52 1x5n s MET 105 Ca 0.46 -3.01 0.00 0.00 -1.71 0.00 0.00 55.69 51.43 1x5n s MET 105 Cb 0.27 -4.04 0.00 0.00 2.01 0.00 0.00 34.83 33.08 1x5n s MET 105 CO -0.15 -1.24 0.00 2.41 -0.01 0.00 0.00 175.02 176.02 1x5n n THR 106 N 2.82 0.00 -0.74 2.05 -1.04 -1.26 -5.15 114.28 110.97 1x5n n THR 106 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 1x5n n THR 106 Cb 0.39 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1x5n n THR 106 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1x5n n ASP 107 N -2.31 -4.65 -3.15 8.00 2.03 -1.26 -5.08 116.55 110.14 1x5n n ASP 107 Ca 0.00 0.57 0.05 0.00 0.52 0.00 0.00 54.79 55.93 1x5n n ASP 107 Cb 0.00 -1.61 -0.02 0.00 -0.72 0.00 0.00 41.12 38.78 1x5n n ASP 107 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1x5n s ARG 108 N -4.50 0.18 0.51 -0.67 6.06 -1.26 -5.17 118.95 114.10 1x5n s ARG 108 Ca 0.00 0.30 -0.02 0.00 -2.50 0.00 0.00 55.73 53.51 1x5n s ARG 108 Cb 0.00 0.16 0.00 0.00 0.06 0.00 0.00 34.95 35.18 1x5n s ARG 108 CO 0.00 -0.21 0.77 0.45 -2.50 0.00 0.00 175.30 173.81 1x5n s SER 109 N 2.96 5.72 0.00 -2.12 0.15 -1.26 -5.07 113.70 114.08 1x5n s SER 109 Ca 0.01 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1x5n s SER 109 Cb -0.09 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 1x5n s SER 109 CO -0.12 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.07 1x5n n GLY 110 N -2.30 -1.71 0.10 9.45 0.00 -1.26 -5.08 105.19 104.40 1x5n n GLY 110 Ca 0.03 1.00 -0.03 0.00 0.00 0.00 0.00 46.02 47.02 1x5n n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5n h PRO 111 N 0.00 -0.20 -5.98 1.61 0.13 -2.09 -3.41 132.00 122.06 1x5n h PRO 111 Ca 0.00 0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.57 1x5n h PRO 111 Cb 0.00 0.05 -0.11 0.00 0.13 0.00 0.00 31.00 31.07 1x5n h PRO 111 CO 0.00 -0.13 0.84 -1.12 -0.23 0.00 0.00 178.00 177.36 1x5n s SER 112 N -4.21 6.17 -0.50 1.44 0.01 -1.26 -4.98 113.70 110.38 1x5n s SER 112 Ca -0.03 -0.67 -0.20 0.00 1.31 0.00 0.00 55.95 56.36 1x5n s SER 112 Cb 0.00 -2.50 0.05 0.00 0.21 0.00 0.00 66.02 63.78 1x5n s SER 112 CO 0.09 -1.67 0.67 -0.44 0.41 0.00 0.00 173.24 172.31 1x5n s SER 113 N 3.70 6.26 0.00 2.44 0.01 -1.26 -5.27 113.70 119.57 1x5n s SER 113 Ca 0.30 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1x5n s SER 113 Cb -0.12 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1x5n s SER 113 CO 0.13 -0.92 0.30 0.61 0.41 0.00 0.00 173.24 173.77