#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 0.01 0.01 1.61 0.15 -1.26 -5.15 113.70 109.07 1x5n s SER 2 Ca 0.00 0.65 -0.14 0.00 0.70 0.00 0.00 55.95 57.16 1x5n s SER 2 Cb 0.00 1.19 0.02 0.00 -1.71 0.00 0.00 66.02 65.52 1x5n s SER 2 CO 0.00 -0.26 0.31 -0.55 1.20 0.00 0.00 173.24 173.94 1x5n s SER 3 N 2.57 -0.16 0.00 5.45 0.15 -1.26 -5.17 113.70 115.28 1x5n s SER 3 Ca 0.04 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1x5n s SER 3 Cb -0.13 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1x5n s SER 3 CO -0.13 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.40 1x5n n GLY 4 N 0.98 1.31 2.16 9.45 0.00 -1.26 -5.14 105.19 112.70 1x5n n GLY 4 Ca -0.20 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 44.83 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 -5.86 -0.04 1.61 7.64 -1.26 -4.96 113.62 110.75 1x5n n SER 5 Ca 0.00 1.36 0.04 0.00 1.01 0.00 0.00 58.87 61.28 1x5n n SER 5 Cb 0.00 -4.37 -0.16 0.00 -1.01 0.00 0.00 64.21 58.67 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 1.43 0.10 -2.21 6.43 7.64 -1.26 -5.08 113.62 120.67 1x5n n SER 6 Ca -0.10 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.76 1x5n n SER 6 Cb 0.16 1.65 -0.02 0.00 -1.01 0.00 0.00 64.21 64.99 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 1.45 -5.03 3.15 0.23 0.00 -1.26 -5.08 105.19 98.65 1x5n n GLY 7 Ca -0.13 0.64 -0.10 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.50 1.05 1.09 1.61 0.01 -1.26 -5.17 113.70 110.54 1x5n s SER 8 Ca -0.11 -0.98 -0.14 0.00 1.31 0.00 0.00 55.95 56.03 1x5n s SER 8 Cb 0.01 0.10 0.20 0.00 0.21 0.00 0.00 66.02 66.54 1x5n s SER 8 CO 0.31 -0.47 0.93 -0.81 0.41 0.00 0.00 173.24 173.61 1x5n n PRO 9 N 0.07 -1.81 -3.97 12.44 -0.04 -1.26 -5.05 135.00 135.38 1x5n n PRO 9 Ca -0.13 -1.45 -0.31 0.00 -0.04 0.00 0.00 63.50 61.57 1x5n n PRO 9 Cb 0.60 -1.15 -0.15 0.00 -0.04 0.00 0.00 33.50 32.77 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 -4.62 1.68 -0.30 0.55 0.00 -1.26 -5.03 107.32 98.34 1x5n s GLY 10 Ca 0.56 -2.14 -0.17 0.00 0.00 0.00 0.00 44.72 42.97 1x5n s GLY 10 CO 0.41 1.00 1.18 0.21 0.00 0.00 0.00 173.10 175.90 1x5n s ASN 11 N 1.10 -0.20 -0.14 1.64 3.84 -1.26 -5.18 114.94 114.75 1x5n s ASN 11 Ca 0.06 0.15 -0.30 0.00 0.21 0.00 0.00 52.86 52.97 1x5n s ASN 11 Cb -0.19 1.18 0.13 0.00 -0.55 0.00 0.00 41.25 41.81 1x5n s ASN 11 CO -0.10 -0.04 1.01 -0.60 -2.79 0.00 0.00 177.10 174.58 1x5n s ARG 12 N 2.84 0.58 -0.32 0.43 3.52 -1.26 -5.07 118.95 119.67 1x5n s ARG 12 Ca -0.06 0.05 -0.03 0.00 -0.13 0.00 0.00 55.73 55.56 1x5n s ARG 12 Cb -0.08 0.27 0.00 0.00 -1.56 0.00 0.00 34.95 33.59 1x5n s ARG 12 CO -0.10 -0.20 0.12 0.39 -0.81 0.00 0.00 175.30 174.70 1x5n n GLU 13 N 0.50 -3.18 0.00 5.12 1.02 -1.26 -4.91 120.64 117.94 1x5n n GLU 13 Ca -0.09 2.60 0.00 0.00 -0.02 0.00 0.00 57.16 59.65 1x5n n GLU 13 Cb 0.59 -5.31 0.00 0.00 -0.02 0.00 0.00 31.44 26.70 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 0.48 0.00 -4.79 1.62 3.02 -1.26 -5.14 115.26 109.19 1x5n n ASN 14 Ca 0.02 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.33 1x5n n ASN 14 Cb 0.09 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.20 1x5n n ASN 14 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1x5n s LYS 15 N 0.00 2.30 -0.09 3.52 1.02 -1.26 -4.80 119.74 120.43 1x5n s LYS 15 Ca 0.00 -1.80 -0.00 0.00 0.02 0.00 0.00 55.97 54.18 1x5n s LYS 15 Cb 0.00 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 1x5n s LYS 15 CO 0.00 -0.19 0.00 0.39 -0.92 0.00 0.00 175.35 174.63 1x5n n GLU 16 N -1.36 -1.26 -4.29 1.68 1.02 -1.24 -4.94 120.64 110.24 1x5n n GLU 16 Ca -0.00 1.39 -0.30 0.00 -0.02 0.00 0.00 57.16 58.22 1x5n n GLU 16 Cb 0.64 -2.26 -0.10 0.00 -0.02 0.00 0.00 31.44 29.70 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 -1.14 2.26 -0.27 3.49 -2.85 0.20 -4.96 119.74 116.49 1x5n s LYS 17 Ca -0.00 -0.94 -0.13 0.00 -1.00 0.00 0.00 55.97 53.90 1x5n s LYS 17 Cb 0.00 -2.37 -0.04 0.00 -2.06 0.00 0.00 37.83 33.36 1x5n s LYS 17 CO 0.23 0.53 0.26 0.21 0.10 0.00 0.00 175.35 176.68 1x5n s LYS 18 N -2.00 4.00 -0.09 1.78 2.36 -1.26 -1.71 119.74 122.82 1x5n s LYS 18 Ca 0.21 -0.16 0.02 0.00 -2.55 0.00 0.00 55.97 53.49 1x5n s LYS 18 Cb -0.11 -3.63 0.01 0.00 -1.05 0.00 0.00 37.83 33.05 1x5n s LYS 18 CO 0.12 -0.17 -0.15 0.14 1.55 0.00 0.00 175.35 176.85 1x5n s VAL 19 N 1.73 1.41 -0.30 4.02 -7.23 0.16 -5.00 120.40 115.18 1x5n s VAL 19 Ca 0.11 -0.60 -0.08 0.00 -1.81 0.00 0.00 61.98 59.59 1x5n s VAL 19 Cb -0.15 -1.28 -0.00 0.00 0.56 0.00 0.00 36.38 35.50 1x5n s VAL 19 CO 0.09 0.42 0.11 0.12 -0.31 0.00 0.00 175.10 175.53 1x5n s PHE 20 N 0.86 3.15 -0.46 2.82 2.19 -1.26 0.19 117.98 125.47 1x5n s PHE 20 Ca -0.10 -0.76 -0.18 0.00 0.33 0.00 0.00 56.93 56.22 1x5n s PHE 20 Cb -0.15 -2.29 0.04 0.00 -1.31 0.00 0.00 43.02 39.30 1x5n s PHE 20 CO 0.01 -0.51 0.53 0.42 1.83 0.00 0.00 175.22 177.51 1x5n s ILE 21 N 1.56 4.98 -0.29 3.12 -1.09 0.11 -4.92 121.20 124.67 1x5n s ILE 21 Ca 0.04 -0.40 -0.11 0.00 -2.23 0.00 0.00 60.65 57.95 1x5n s ILE 21 Cb -0.17 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 1x5n s ILE 21 CO 0.04 -0.61 0.17 -0.44 -1.23 0.00 0.00 174.94 172.88 1x5n s SER 22 N 2.24 5.81 -1.16 3.58 0.01 -1.26 -1.47 113.70 121.45 1x5n s SER 22 Ca 0.14 -0.18 -0.10 0.00 1.31 0.00 0.00 55.95 57.12 1x5n s SER 22 Cb -0.18 -2.07 0.24 0.00 0.21 0.00 0.00 66.02 64.21 1x5n s SER 22 CO 0.13 -0.10 1.38 0.18 0.41 0.00 0.00 173.24 175.24 1x5n n LEU 23 N 5.04 5.74 -3.62 2.44 4.32 -1.04 -4.92 117.00 124.94 1x5n n LEU 23 Ca -0.14 -4.84 -0.13 0.00 -0.02 0.00 0.00 56.01 50.88 1x5n n LEU 23 Cb 0.51 -1.49 -0.06 0.00 -1.62 0.00 0.00 43.42 40.77 1x5n n LEU 23 CO 0.33 1.22 0.20 0.68 -1.22 0.00 0.00 177.39 178.60 1x5n s VAL 24 N -0.45 0.05 -0.16 4.08 -7.23 -1.26 -4.80 120.40 110.63 1x5n s VAL 24 Ca 0.36 -0.40 -0.01 0.00 -1.81 0.00 0.00 61.98 60.12 1x5n s VAL 24 Cb -0.03 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.90 1x5n s VAL 24 CO -0.01 -0.22 0.13 0.61 -0.31 0.00 0.00 175.10 175.30 1x5n n GLY 25 N 0.30 0.53 3.07 2.32 0.00 -1.26 -4.53 105.19 105.61 1x5n n GLY 25 Ca -0.18 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.61 -6.96 -3.64 1.61 7.64 -1.26 -5.01 113.62 104.37 1x5n n SER 26 Ca -0.02 0.66 0.01 0.00 1.01 0.00 0.00 58.87 60.53 1x5n n SER 26 Cb 0.52 -2.84 -0.01 0.00 -1.01 0.00 0.00 64.21 60.87 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 -1.38 0.55 -0.29 1.43 0.52 -1.26 -5.17 118.95 113.34 1x5n s ARG 27 Ca 0.04 -0.30 -0.19 0.00 -0.52 0.00 0.00 55.73 54.76 1x5n s ARG 27 Cb -0.01 0.19 0.17 0.00 0.52 0.00 0.00 34.95 35.82 1x5n s ARG 27 CO 0.34 -0.25 1.13 0.20 0.02 0.00 0.00 175.30 176.74 1x5n s GLY 28 N -2.97 0.20 0.11 -3.53 0.00 -1.26 -4.72 107.32 95.14 1x5n s GLY 28 Ca 0.14 3.31 -0.33 0.00 0.00 0.00 0.00 44.72 47.84 1x5n s GLY 28 CO -0.03 2.42 0.78 -0.10 0.00 0.00 0.00 173.10 176.17 1x5n n LEU 29 N 2.98 -0.61 -0.73 0.66 7.94 -1.26 -4.28 117.00 121.71 1x5n n LEU 29 Ca -0.16 1.14 0.04 0.00 -1.11 0.00 0.00 56.01 55.92 1x5n n LEU 29 Cb 0.57 -0.95 0.07 0.00 0.53 0.00 0.00 43.42 43.64 1x5n n LEU 29 CO 0.03 -2.46 0.27 0.61 -1.11 0.00 0.00 177.39 174.73 1x5n n GLY 30 N 1.78 2.26 3.65 -3.96 0.00 -1.26 -4.89 105.19 102.77 1x5n n GLY 30 Ca 0.19 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.78 6.20 0.02 0.00 0.15 0.27 -4.95 113.70 113.61 1x5n s SER 32 Ca 0.21 0.39 0.04 0.00 0.70 0.00 0.00 55.95 57.28 1x5n s SER 32 Cb -0.11 -2.00 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 1x5n s SER 32 CO 0.12 0.37 -0.05 0.27 1.20 0.00 0.00 173.24 175.15 1x5n s ILE 33 N -0.79 3.73 0.21 6.45 -4.36 -1.26 0.16 121.20 125.33 1x5n s ILE 33 Ca 0.13 -0.82 0.10 0.00 -0.26 0.00 0.00 60.65 59.80 1x5n s ILE 33 Cb -0.12 -2.66 -0.05 0.00 1.25 0.00 0.00 42.46 40.89 1x5n s ILE 33 CO 0.03 0.34 -0.18 -0.94 0.24 0.00 0.00 174.94 174.42 1x5n s SER 34 N -1.61 3.01 -0.19 4.36 1.04 0.34 -4.81 113.70 115.84 1x5n s SER 34 Ca 0.19 -0.95 -0.13 0.00 0.48 0.00 0.00 55.95 55.54 1x5n s SER 34 Cb -0.11 -0.20 -0.05 0.00 0.10 0.00 0.00 66.02 65.76 1x5n s SER 34 CO 0.10 -0.03 0.25 -0.94 0.98 0.00 0.00 173.24 173.60 1x5n s SER 35 N -3.08 6.34 0.79 7.02 1.04 -1.26 -1.90 113.70 122.64 1x5n s SER 35 Ca 0.22 0.39 -0.12 0.00 0.48 0.00 0.00 55.95 56.92 1x5n s SER 35 Cb -0.04 -2.16 0.07 0.00 0.10 0.00 0.00 66.02 63.98 1x5n s SER 35 CO 0.09 0.08 1.14 -0.83 0.98 0.00 0.00 173.24 174.70 1x5n s GLY 36 N 0.64 1.61 0.00 7.32 0.00 -1.15 -4.97 107.32 110.78 1x5n s GLY 36 Ca 0.14 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.39 1x5n s GLY 36 CO 0.03 -0.02 0.00 -1.55 0.00 0.00 0.00 173.10 171.57 1x5n n PRO 37 N -3.30 -0.50 0.11 2.90 -0.04 -1.10 -4.50 135.00 128.57 1x5n n PRO 37 Ca 0.07 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1x5n n PRO 37 Cb 0.59 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.13 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 -1.25 1.51 0.00 0.52 6.09 -1.97 0.37 117.51 122.77 1x5n h ILE 38 Ca 0.00 -2.45 -0.17 0.00 -1.37 0.00 0.00 64.86 60.87 1x5n h ILE 38 Cb 0.00 2.32 -0.02 0.00 0.47 0.00 0.00 36.82 39.59 1x5n h ILE 38 CO 0.00 0.70 -0.82 0.06 -3.07 0.00 0.00 178.15 175.02 1x5n h GLN 39 N 0.02 0.00 -2.04 2.19 3.07 -2.05 -3.35 115.11 112.95 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 1.29 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.45 1x5n h GLN 39 CO 0.10 0.82 -1.10 1.17 0.09 0.00 0.00 178.83 179.91 1x5n n LYS 40 N -3.43 1.24 -2.53 0.06 4.81 -1.14 -5.11 118.16 112.06 1x5n n LYS 40 Ca 0.00 -3.56 -0.37 0.00 -0.87 0.00 0.00 58.31 53.51 1x5n n LYS 40 Cb 0.83 -1.70 -0.04 0.00 0.02 0.00 0.00 35.03 34.14 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 -2.34 4.17 0.00 1.64 0.04 0.13 -2.72 135.00 135.92 1x5n s PRO 41 Ca 0.40 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1x5n s PRO 41 Cb 0.31 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1x5n s PRO 41 CO -0.09 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1x5n n GLY 42 N 0.39 -0.02 2.91 0.56 0.00 -1.26 -4.79 105.19 102.98 1x5n n GLY 42 Ca 0.05 -1.25 -0.27 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.42 1.08 0.06 -0.61 -1.09 -1.25 -2.91 121.20 113.05 1x5n s ILE 43 Ca 0.00 -0.40 0.08 0.00 -2.23 0.00 0.00 60.65 58.10 1x5n s ILE 43 Cb 0.00 -1.13 -0.03 0.00 -1.58 0.00 0.00 42.46 39.72 1x5n s ILE 43 CO 0.00 0.31 -0.21 -0.36 -1.23 0.00 0.00 174.94 173.45 1x5n s PHE 44 N 1.68 1.83 0.22 3.97 0.40 -0.80 0.19 117.98 125.47 1x5n s PHE 44 Ca 0.04 -0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 55.69 1x5n s PHE 44 Cb -0.13 -1.07 -0.09 0.00 0.51 0.00 0.00 43.02 42.24 1x5n s PHE 44 CO -0.08 0.12 1.11 0.42 0.70 0.00 0.00 175.22 177.49 1x5n s ILE 45 N -0.89 3.66 -0.18 0.64 1.01 -1.18 0.13 121.20 124.39 1x5n s ILE 45 Ca 0.07 1.52 0.05 0.00 0.00 0.00 0.00 60.65 62.30 1x5n s ILE 45 Cb -0.09 -3.97 -0.14 0.00 0.01 0.00 0.00 42.46 38.26 1x5n s ILE 45 CO 0.02 0.31 -0.10 -1.54 0.00 0.00 0.00 174.94 173.63 1x5n n SER 46 N 1.87 2.14 -3.65 3.58 3.41 0.41 -2.94 113.62 118.44 1x5n n SER 46 Ca 0.01 -0.07 -0.14 0.00 -0.26 0.00 0.00 58.87 58.41 1x5n n SER 46 Cb 0.45 0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 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 -2.38 -0.33 -0.06 7.33 5.65 -1.19 -4.84 115.29 119.48 1x5n s HIS 47 Ca -0.20 0.40 0.01 0.00 0.25 0.00 0.00 55.06 55.52 1x5n s HIS 47 Cb 0.06 0.24 0.02 0.00 -1.18 0.00 0.00 32.58 31.72 1x5n s HIS 47 CO 0.50 -0.55 -0.06 0.08 -0.65 0.00 0.00 174.74 174.05 1x5n s VAL 48 N -2.07 0.72 0.61 0.89 1.01 -1.26 0.95 120.40 121.25 1x5n s VAL 48 Ca -0.08 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 1x5n s VAL 48 Cb -0.02 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1x5n s VAL 48 CO 0.01 0.27 1.07 -0.54 0.00 0.00 0.00 175.10 175.91 1x5n s LYS 49 N 1.02 3.17 -0.09 2.72 1.02 0.39 -4.95 119.74 123.02 1x5n s LYS 49 Ca -0.09 1.25 -0.30 0.00 0.02 0.00 0.00 55.97 56.85 1x5n s LYS 49 Cb -0.14 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 1x5n s LYS 49 CO -0.00 -0.94 1.24 -1.25 -0.92 0.00 0.00 175.35 173.48 1x5n s PRO 50 N -4.10 4.30 -0.82 -1.68 0.04 -1.26 -2.81 135.00 128.67 1x5n s PRO 50 Ca 0.64 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1x5n s PRO 50 Cb -0.17 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1x5n s PRO 50 CO 0.38 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.28 1x5n n GLY 51 N 3.49 0.14 0.00 0.56 0.00 -1.26 -5.02 105.19 103.09 1x5n n GLY 51 Ca 0.12 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.27 0.00 0.17 1.61 3.41 -1.12 -4.81 113.62 113.16 1x5n n SER 52 Ca -0.11 -0.70 0.06 0.00 -0.26 0.00 0.00 58.87 57.86 1x5n n SER 52 Cb 0.54 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.65 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 0.00 1.04 7.12 -1.89 -2.26 115.31 119.32 1x5n h LEU 53 Ca 0.00 0.00 -0.21 0.00 0.13 0.00 0.00 57.88 57.80 1x5n h LEU 53 Cb 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.09 1x5n h LEU 53 CO 0.00 0.35 -1.80 -1.54 -0.13 0.00 0.00 178.44 175.32 1x5n n SER 54 N -3.24 0.51 0.14 1.25 3.41 -1.26 -3.84 113.62 110.59 1x5n n SER 54 Ca 0.02 0.23 0.01 0.00 -0.26 0.00 0.00 58.87 58.87 1x5n n SER 54 Cb 0.63 0.62 0.16 0.00 -0.26 0.00 0.00 64.21 65.36 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 1.34 0.82 -0.23 7.33 0.00 -1.75 1.37 119.26 128.14 1x5n h ALA 55 Ca -0.26 -0.52 -0.16 0.00 0.00 0.00 0.00 54.91 53.98 1x5n h ALA 55 Cb 1.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1x5n h ALA 55 CO 0.04 0.71 -0.49 1.05 0.00 0.00 0.00 179.25 180.55 1x5n h GLU 56 N 0.00 0.62 0.00 0.00 4.11 -1.54 -2.89 114.58 114.88 1x5n h GLU 56 Ca -0.01 -0.36 -0.08 0.00 0.07 0.00 0.00 59.36 58.98 1x5n h GLU 56 Cb 1.19 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1x5n h GLU 56 CO 0.07 0.97 -0.54 -0.39 0.07 0.00 0.00 179.01 179.20 1x5n h VAL 57 N 0.49 0.56 0.00 -1.06 -1.51 -1.64 -3.47 116.25 109.61 1x5n h VAL 57 Ca 0.02 -1.82 0.00 0.00 -1.23 0.00 0.00 66.70 63.67 1x5n h VAL 57 Cb 1.04 2.21 0.00 0.00 -2.13 0.00 0.00 31.29 32.41 1x5n h VAL 57 CO 0.10 0.32 0.00 0.61 -1.23 0.00 0.00 177.57 177.36 1x5n n GLY 58 N 1.21 1.02 3.75 5.19 0.00 -0.35 -5.07 105.19 110.95 1x5n n GLY 58 Ca 0.01 -0.02 -0.41 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 4.45 0.31 0.99 1.43 0.46 -4.97 118.68 121.35 1x5n s LEU 59 Ca 0.00 2.48 0.03 0.00 -1.03 0.00 0.00 54.13 55.61 1x5n s LEU 59 Cb 0.00 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 1x5n s LEU 59 CO 0.00 -0.44 0.13 -1.61 0.23 0.00 0.00 176.35 174.65 1x5n s GLU 60 N -1.06 1.60 0.27 1.70 2.02 -1.26 -4.45 118.70 117.52 1x5n s GLU 60 Ca 0.51 -1.91 -0.31 0.00 0.02 0.00 0.00 54.97 53.29 1x5n s GLU 60 Cb -0.37 -0.31 -0.12 0.00 0.10 0.00 0.00 34.13 33.44 1x5n s GLU 60 CO 0.45 -0.38 1.62 -0.89 0.02 0.00 0.00 175.26 176.08 1x5n n ILE 61 N -0.61 0.79 0.00 -1.63 5.41 -1.26 -2.34 119.36 119.72 1x5n n ILE 61 Ca -0.01 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.55 1x5n n ILE 61 Cb 0.65 -1.96 0.00 0.00 -0.71 0.00 0.00 39.64 37.62 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 2.56 1.94 3.54 7.39 0.00 -1.15 -4.77 105.19 114.70 1x5n n GLY 62 Ca 0.10 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 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 0.12 1.77 -4.74 1.61 8.00 -0.99 -1.65 116.55 120.67 1x5n n ASP 63 Ca 0.00 -0.64 -0.40 0.00 0.71 0.00 0.00 54.79 54.46 1x5n n ASP 63 Cb 0.00 -1.47 -0.05 0.00 -0.02 0.00 0.00 41.12 39.58 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 4.55 -0.45 -1.24 0.74 -1.26 -3.10 119.66 127.37 1x5n s GLN 64 Ca 1.04 1.18 -0.24 0.00 0.05 0.00 0.00 55.36 57.39 1x5n s GLN 64 Cb -0.34 -3.38 0.03 0.00 1.10 0.00 0.00 33.01 30.42 1x5n s GLN 64 CO 0.27 0.23 0.81 0.42 -0.55 0.00 0.00 175.29 176.47 1x5n s ILE 65 N 0.08 4.62 -0.07 -2.34 1.01 0.49 -3.45 121.20 121.54 1x5n s ILE 65 Ca 0.42 0.52 0.21 0.00 0.00 0.00 0.00 60.65 61.79 1x5n s ILE 65 Cb -0.21 -4.34 -0.31 0.00 0.01 0.00 0.00 42.46 37.61 1x5n s ILE 65 CO 0.25 -0.73 0.41 1.33 0.00 0.00 0.00 174.94 176.20 1x5n n VAL 66 N 6.18 0.32 -3.65 2.92 0.24 -0.95 -3.91 118.33 119.48 1x5n n VAL 66 Ca 0.03 -0.58 -0.14 0.00 -2.04 0.00 0.00 64.34 61.61 1x5n n VAL 66 Cb 0.48 -0.11 -0.07 0.00 -1.47 0.00 0.00 33.84 32.67 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 -3.29 0.90 -0.20 7.34 2.12 -1.16 -1.85 118.70 122.56 1x5n s GLU 67 Ca -0.08 -0.18 -0.06 0.00 0.36 0.00 0.00 54.97 55.01 1x5n s GLU 67 Cb 0.12 0.41 0.10 0.00 0.26 0.00 0.00 34.13 35.02 1x5n s GLU 67 CO 0.89 -0.29 0.39 0.08 -0.54 0.00 0.00 175.26 175.79 1x5n s VAL 68 N -1.91 -0.62 -1.80 3.70 1.01 -0.92 0.49 120.40 120.36 1x5n s VAL 68 Ca -0.09 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1x5n s VAL 68 Cb -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1x5n s VAL 68 CO 0.02 0.03 0.00 -3.20 0.00 0.00 0.00 175.10 171.95 1x5n n ASN 69 N 5.38 -4.58 0.00 3.32 2.85 0.51 0.13 115.26 122.86 1x5n n ASN 69 Ca -0.07 0.40 0.00 0.00 -0.11 0.00 0.00 54.58 54.80 1x5n n ASN 69 Cb 0.50 -4.11 0.00 0.00 1.24 0.00 0.00 39.78 37.41 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 -0.37 0.81 3.88 8.20 0.00 -1.26 -4.91 105.19 111.54 1x5n n GLY 70 Ca -0.18 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 4.83 -0.89 1.61 1.01 0.34 -5.01 120.40 120.28 1x5n s VAL 71 Ca 0.00 0.53 -0.19 0.00 0.00 0.00 0.00 61.98 62.33 1x5n s VAL 71 Cb 0.00 -3.72 0.13 0.00 0.00 0.00 0.00 36.38 32.79 1x5n s VAL 71 CO 0.00 -0.45 1.09 -0.62 0.00 0.00 0.00 175.10 175.12 1x5n s ASP 72 N -3.09 6.58 -0.04 3.32 -1.08 -1.26 -2.16 116.67 118.94 1x5n s ASP 72 Ca 0.50 -1.96 0.16 0.00 -0.52 0.00 0.00 52.55 50.72 1x5n s ASP 72 Cb -0.10 -2.39 0.52 0.00 -1.46 0.00 0.00 42.92 39.48 1x5n s ASP 72 CO 0.30 -1.08 1.41 0.49 0.52 0.00 0.00 175.17 176.81 1x5n n PHE 73 N 6.55 0.93 0.18 -5.34 3.01 -0.77 -4.05 117.46 117.97 1x5n n PHE 73 Ca 0.20 -0.41 0.06 0.00 1.01 0.00 0.00 57.45 58.31 1x5n n PHE 73 Cb 0.49 -0.09 0.30 0.00 -0.01 0.00 0.00 39.48 40.16 1x5n n PHE 73 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1x5n h SER 74 N 3.18 0.00 -0.97 4.37 0.02 -1.66 -3.32 113.55 115.18 1x5n h SER 74 Ca 0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 1x5n h SER 74 Cb 0.94 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 63.11 1x5n h SER 74 CO 0.09 0.37 -1.11 0.59 -1.14 0.00 0.00 176.83 175.63 1x5n n ASN 75 N -3.44 1.01 -1.61 3.07 3.02 -1.26 -4.02 115.26 112.04 1x5n n ASN 75 Ca 0.00 -2.72 0.00 0.00 -0.03 0.00 0.00 54.58 51.83 1x5n n ASN 75 Cb 0.54 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 -0.08 0.00 -4.37 3.41 4.77 -1.25 -5.05 117.00 114.43 1x5n n LEU 76 Ca 0.09 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.88 1x5n n LEU 76 Cb 0.81 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.80 1x5n n LEU 76 CO 0.23 -0.33 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.08 1x5n s ASP 77 N -1.00 1.68 0.00 -1.43 2.15 -1.26 -4.81 116.67 112.00 1x5n s ASP 77 Ca 0.00 -1.40 0.18 0.00 0.43 0.00 0.00 52.55 51.76 1x5n s ASP 77 Cb 0.00 0.10 0.87 0.00 -0.30 0.00 0.00 42.92 43.59 1x5n s ASP 77 CO 0.00 -0.70 1.55 1.57 -0.17 0.00 0.00 175.17 177.42 1x5n n HIS 78 N -0.57 0.00 -0.07 -5.34 -0.00 -1.26 0.68 115.22 108.66 1x5n n HIS 78 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.62 1x5n n HIS 78 Cb 0.66 -0.34 -0.08 0.00 -0.00 0.00 0.00 29.99 30.23 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 -1.34 1.04 0.13 1.57 4.76 -1.26 -4.03 118.16 119.03 1x5n n LYS 79 Ca 0.07 0.05 -0.22 0.00 -2.87 0.00 0.00 58.31 55.34 1x5n n LYS 79 Cb 0.16 -1.31 -0.15 0.00 -1.84 0.00 0.00 35.03 31.89 1x5n n LYS 79 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1x5n h GLU 80 N 0.00 0.49 0.00 1.97 4.39 -1.88 0.60 114.58 120.15 1x5n h GLU 80 Ca -0.34 -0.81 -0.06 0.00 0.34 0.00 0.00 59.36 58.50 1x5n h GLU 80 Cb 1.62 0.30 -0.01 0.00 -0.10 0.00 0.00 28.75 30.56 1x5n h GLU 80 CO -0.03 1.38 -0.26 0.00 -1.16 0.00 0.00 179.01 178.94 1x5n h ALA 81 N 0.28 1.08 0.17 3.43 0.00 -0.01 0.11 119.26 124.32 1x5n h ALA 81 Ca -0.22 -0.24 -0.35 0.00 0.00 0.00 0.00 54.91 54.10 1x5n h ALA 81 Cb 2.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1x5n h ALA 81 CO 0.26 0.33 -1.81 0.28 0.00 0.00 0.00 179.25 178.31 1x5n h VAL 82 N 0.00 0.86 -0.44 0.00 2.07 -1.69 -2.51 116.25 114.54 1x5n h VAL 82 Ca -0.00 -2.47 -0.05 0.00 0.82 0.00 0.00 66.70 65.00 1x5n h VAL 82 Cb 0.72 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 33.18 1x5n h VAL 82 CO 0.03 0.87 0.09 -1.13 0.02 0.00 0.00 177.57 177.45 1x5n h ASN 83 N 0.09 0.68 0.66 0.57 -1.24 -0.70 1.60 115.58 117.24 1x5n h ASN 83 Ca -0.36 -0.25 -0.09 0.00 0.71 0.00 0.00 56.30 56.31 1x5n h ASN 83 Cb 2.08 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 40.94 1x5n h ASN 83 CO 0.16 0.75 -0.42 0.58 -1.29 0.00 0.00 177.43 177.21 1x5n h VAL 84 N 0.58 1.08 0.18 2.57 2.07 -0.91 0.82 116.25 122.64 1x5n h VAL 84 Ca 0.14 -1.57 -0.31 0.00 0.82 0.00 0.00 66.70 65.78 1x5n h VAL 84 Cb 0.35 1.90 0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1x5n h VAL 84 CO 0.01 0.41 -1.40 -0.07 0.02 0.00 0.00 177.57 176.54 1x5n h LEU 85 N 0.00 0.58 -0.79 2.57 3.38 -0.93 -3.19 115.31 116.93 1x5n h LEU 85 Ca -0.00 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1x5n h LEU 85 Cb 0.87 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1x5n h LEU 85 CO 0.05 1.52 -0.06 2.29 0.09 0.00 0.00 178.44 182.33 1x5n n LYS 86 N -3.59 1.41 0.22 1.13 2.85 0.54 -4.25 118.16 116.46 1x5n n LYS 86 Ca -0.14 -0.79 -0.09 0.00 -1.05 0.00 0.00 58.31 56.25 1x5n n LYS 86 Cb 1.06 -1.48 -0.04 0.00 -0.65 0.00 0.00 35.03 33.91 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 1.93 -0.50 -1.32 -5.58 0.87 0.68 -3.46 113.55 106.16 1x5n h SER 87 Ca 0.00 0.02 -0.64 0.00 -1.23 0.00 0.00 61.79 59.94 1x5n h SER 87 Cb 0.48 0.14 -0.13 0.00 -0.44 0.00 0.00 62.40 62.45 1x5n h SER 87 CO 0.00 -0.34 -0.57 -0.55 -0.53 0.00 0.00 176.83 174.84 1x5n s SER 88 N -2.88 3.99 -0.10 6.23 0.15 -1.26 -5.08 113.70 114.75 1x5n s SER 88 Ca -0.08 -1.42 -0.01 0.00 0.70 0.00 0.00 55.95 55.13 1x5n s SER 88 Cb 0.01 -0.17 -0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1x5n s SER 88 CO 0.25 -0.56 -0.03 0.03 1.20 0.00 0.00 173.24 174.13 1x5n h ARG 89 N 1.63 0.00 -6.15 5.44 2.47 -1.87 -3.44 114.38 112.46 1x5n h ARG 89 Ca -0.44 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 57.70 1x5n h ARG 89 Cb 1.26 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.50 1x5n h ARG 89 CO 0.78 0.00 0.67 -1.12 0.56 0.00 0.00 179.97 180.86 1x5n s SER 90 N -5.46 6.76 0.01 7.04 0.01 -1.25 -2.51 113.70 118.30 1x5n s SER 90 Ca -0.02 0.74 0.01 0.00 1.31 0.00 0.00 55.95 57.99 1x5n s SER 90 Cb 0.00 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 1x5n s SER 90 CO 0.03 -0.85 -0.03 -0.76 0.41 0.00 0.00 173.24 172.04 1x5n s LEU 91 N 3.51 2.13 -0.51 2.44 1.43 -0.54 -4.99 118.68 122.14 1x5n s LEU 91 Ca 0.40 -0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 53.08 1x5n s LEU 91 Cb -0.12 -0.03 0.12 0.00 0.03 0.00 0.00 46.19 46.18 1x5n s LEU 91 CO 0.17 -0.13 0.45 -0.89 0.23 0.00 0.00 176.35 176.18 1x5n s THR 92 N -0.76 4.99 -0.01 5.49 2.01 -1.26 0.06 115.64 126.16 1x5n s THR 92 Ca -0.07 -1.48 -0.20 0.00 0.31 0.00 0.00 61.69 60.25 1x5n s THR 92 Cb -0.05 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 1x5n s THR 92 CO -0.00 -0.79 0.57 -0.63 -0.69 0.00 0.00 174.62 173.07 1x5n s ILE 93 N 1.56 4.94 -0.42 1.82 1.01 0.49 0.19 121.20 130.79 1x5n s ILE 93 Ca 0.04 1.18 -0.02 0.00 0.00 0.00 0.00 60.65 61.85 1x5n s ILE 93 Cb -0.28 -3.90 0.11 0.00 0.01 0.00 0.00 42.46 38.40 1x5n s ILE 93 CO 0.03 0.43 0.21 -0.44 0.00 0.00 0.00 174.94 175.16 1x5n s SER 94 N -0.21 5.20 0.42 3.58 0.01 0.18 0.35 113.70 123.23 1x5n s SER 94 Ca 0.30 -2.13 0.08 0.00 1.31 0.00 0.00 55.95 55.51 1x5n s SER 94 Cb -0.18 -1.81 0.01 0.00 0.21 0.00 0.00 66.02 64.25 1x5n s SER 94 CO 0.16 -0.51 0.55 0.27 0.41 0.00 0.00 173.24 174.13 1x5n s ILE 95 N 1.00 3.03 -0.38 1.44 -4.36 -0.69 -2.23 121.20 119.00 1x5n s ILE 95 Ca 0.09 -1.02 0.06 0.00 -0.26 0.00 0.00 60.65 59.52 1x5n s ILE 95 Cb -0.22 -3.02 0.52 0.00 1.25 0.00 0.00 42.46 40.99 1x5n s ILE 95 CO -0.04 -0.01 1.59 0.52 0.24 0.00 0.00 174.94 177.24 1x5n n VAL 96 N -1.82 2.83 -3.02 8.37 0.31 -1.22 0.63 118.33 124.39 1x5n n VAL 96 Ca 0.07 -2.84 -0.01 0.00 -0.01 0.00 0.00 64.34 61.56 1x5n n VAL 96 Cb 0.59 -0.58 -0.00 0.00 -0.91 0.00 0.00 33.84 32.94 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 -1.05 -2.14 -3.76 3.52 0.00 -1.26 -3.45 120.51 112.38 1x5n n ALA 97 Ca 0.44 0.33 -0.30 0.00 0.00 0.00 0.00 53.44 53.91 1x5n n ALA 97 Cb 1.09 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.38 0.01 0.00 0.00 -1.26 -4.89 120.51 113.57 1x5n n ALA 98 Ca -0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 53.44 53.14 1x5n n ALA 98 Cb 0.30 -3.30 -0.00 0.00 0.00 0.00 0.00 19.45 16.45 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 0.85 -0.99 -1.27 0.00 0.00 -1.34 -3.29 119.26 113.22 1x5n h ALA 99 Ca -0.65 -0.00 -0.79 0.00 0.00 0.00 0.00 54.91 53.47 1x5n h ALA 99 Cb 1.37 0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.88 1x5n h ALA 99 CO 0.52 -0.99 0.92 0.41 0.00 0.00 0.00 179.25 180.11 1x5n n GLY 100 N -0.96 5.99 0.21 0.00 0.00 -0.82 -4.68 105.19 104.94 1x5n n GLY 100 Ca -0.00 -2.58 0.08 0.00 0.00 0.00 0.00 46.02 43.52 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 3.88 0.00 0.00 1.61 3.08 -1.69 -2.22 114.38 119.04 1x5n h ARG 101 Ca 0.52 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.55 1x5n h ARG 101 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1x5n h ARG 101 CO 1.20 0.27 -0.08 1.05 -1.07 0.00 0.00 179.97 181.35 1x5n h GLU 102 N 0.00 0.00 0.00 0.04 4.11 -1.89 -2.32 114.58 114.51 1x5n h GLU 102 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1x5n h GLU 102 Cb 0.71 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1x5n h GLU 102 CO 0.04 0.08 -0.01 -0.07 0.07 0.00 0.00 179.01 179.12 1x5n h LEU 103 N 0.00 0.00 -5.26 3.06 3.38 -1.78 -2.69 115.31 112.02 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 0.58 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.91 1x5n h LEU 103 CO 0.01 0.01 -0.60 0.49 0.09 0.00 0.00 178.44 178.44 1x5n n PHE 104 N -3.27 3.99 -3.17 1.13 3.72 -0.87 -4.97 117.46 114.01 1x5n n PHE 104 Ca -0.03 -3.90 -0.45 0.00 -0.05 0.00 0.00 57.45 53.03 1x5n n PHE 104 Cb 0.10 -0.48 -0.01 0.00 -0.94 0.00 0.00 39.48 38.16 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 -3.51 4.01 -0.24 -1.08 -1.94 -1.02 -4.93 119.30 110.60 1x5n s MET 105 Ca 0.49 -2.74 -0.09 0.00 -1.71 0.00 0.00 55.69 51.63 1x5n s MET 105 Cb 0.29 -4.74 0.10 0.00 2.01 0.00 0.00 34.83 32.49 1x5n s MET 105 CO -0.14 -1.47 0.53 0.99 -0.01 0.00 0.00 175.02 174.91 1x5n s THR 106 N 0.28 -0.68 1.02 2.05 2.01 -1.26 -5.16 115.64 113.90 1x5n s THR 106 Ca 0.33 0.08 -0.12 0.00 0.31 0.00 0.00 61.69 62.29 1x5n s THR 106 Cb -0.07 -0.82 0.20 0.00 0.01 0.00 0.00 72.50 71.82 1x5n s THR 106 CO -0.06 0.04 1.09 1.51 -0.69 0.00 0.00 174.62 176.51 1x5n s ASP 107 N 2.54 2.46 0.20 3.53 -4.77 -1.26 -5.07 116.67 114.31 1x5n s ASP 107 Ca -0.05 1.19 0.09 0.00 -3.30 0.00 0.00 52.55 50.49 1x5n s ASP 107 Cb -0.11 -1.87 -0.04 0.00 -1.09 0.00 0.00 42.92 39.81 1x5n s ASP 107 CO -0.16 -3.23 -0.18 0.00 0.70 0.00 0.00 175.17 172.30 1x5n s ARG 108 N -4.94 1.40 0.08 2.11 1.70 -1.26 -5.07 118.95 112.98 1x5n s ARG 108 Ca 0.66 -1.54 -0.00 0.00 -0.47 0.00 0.00 55.73 54.37 1x5n s ARG 108 Cb -0.19 -1.43 -0.00 0.00 -0.57 0.00 0.00 34.95 32.75 1x5n s ARG 108 CO 0.58 0.28 -0.01 0.45 -1.08 0.00 0.00 175.30 175.52 1x5n n SER 109 N -0.07 0.93 0.00 -2.89 2.88 -1.26 -5.12 113.62 108.10 1x5n n SER 109 Ca -0.10 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1x5n n SER 109 Cb 0.58 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 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 3.38 1.08 0.09 0.46 0.00 -1.26 -5.07 105.19 103.87 1x5n n GLY 110 Ca -0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 0.13 -5.25 1.61 0.13 -2.04 -3.43 132.00 123.14 1x5n h PRO 111 Ca 0.00 -0.12 -0.61 0.00 -0.87 0.00 0.00 66.00 64.40 1x5n h PRO 111 Cb 0.00 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 31.03 1x5n h PRO 111 CO 0.00 0.84 -0.51 0.45 -0.23 0.00 0.00 178.00 178.55 1x5n s SER 112 N -6.17 6.06 -0.01 1.44 0.15 -1.26 -5.09 113.70 108.82 1x5n s SER 112 Ca -0.16 0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.73 1x5n s SER 112 Cb 0.01 -2.06 -0.02 0.00 -1.71 0.00 0.00 66.02 62.24 1x5n s SER 112 CO 0.72 0.16 -0.20 -0.55 1.20 0.00 0.00 173.24 174.58 1x5n s SER 113 N 0.45 2.33 0.00 5.45 0.15 -1.26 -5.20 113.70 115.62 1x5n s SER 113 Ca 0.07 -0.36 0.27 0.00 0.70 0.00 0.00 55.95 56.63 1x5n s SER 113 Cb -0.12 -0.26 0.81 0.00 -1.71 0.00 0.00 66.02 64.75 1x5n s SER 113 CO -0.01 0.24 1.61 0.61 1.20 0.00 0.00 173.24 176.90