#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 6.17 0.24 1.61 0.15 -1.26 -4.23 113.70 116.38 1x5n s SER 2 Ca 0.00 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1x5n s SER 2 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1x5n s SER 2 CO 0.00 -1.79 0.00 -1.20 1.20 0.00 0.00 173.24 171.45 1x5n n SER 3 N 9.17 -2.17 -3.33 5.45 7.64 -1.26 -5.09 113.62 124.02 1x5n n SER 3 Ca 0.02 0.65 -0.30 0.00 1.01 0.00 0.00 58.87 60.26 1x5n n SER 3 Cb 0.49 2.23 0.03 0.00 -1.01 0.00 0.00 64.21 65.95 1x5n n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5n n GLY 4 N -1.28 -0.31 2.96 0.23 0.00 -1.26 -4.93 105.19 100.60 1x5n n GLY 4 Ca 0.00 1.17 -0.30 0.00 0.00 0.00 0.00 46.02 46.88 1x5n n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5n s SER 5 N -1.86 4.96 -0.36 1.61 0.15 -1.26 -4.85 113.70 112.10 1x5n s SER 5 Ca 0.33 -3.59 0.07 0.00 0.70 0.00 0.00 55.95 53.46 1x5n s SER 5 Cb -0.05 -1.70 0.60 0.00 -1.71 0.00 0.00 66.02 63.16 1x5n s SER 5 CO 0.85 -0.15 1.69 -0.24 1.20 0.00 0.00 173.24 176.58 1x5n n SER 6 N 2.38 3.24 0.00 5.45 2.88 -1.26 -4.94 113.62 121.36 1x5n n SER 6 Ca 0.16 -3.64 0.00 0.00 -1.33 0.00 0.00 58.87 54.06 1x5n n SER 6 Cb 0.35 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 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 -1.05 2.22 3.24 0.46 0.00 -1.26 -5.05 105.19 103.75 1x5n n GLY 7 Ca 0.45 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.28 2.08 -0.01 1.61 0.01 -1.26 -5.12 113.70 109.73 1x5n s SER 8 Ca 0.00 -0.74 -0.30 0.00 1.31 0.00 0.00 55.95 56.22 1x5n s SER 8 Cb 0.00 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 1x5n s SER 8 CO 0.00 -0.08 1.20 -2.16 0.41 0.00 0.00 173.24 172.61 1x5n s PRO 9 N -2.29 4.39 0.00 12.44 0.04 -1.26 -4.87 135.00 143.44 1x5n s PRO 9 Ca 0.06 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1x5n s PRO 9 Cb -0.07 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.99 1x5n s PRO 9 CO 0.03 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1x5n n GLY 10 N 3.31 0.14 3.08 0.56 0.00 -1.26 -5.16 105.19 105.85 1x5n n GLY 10 Ca 0.10 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 -0.90 -0.30 1.61 3.84 -1.26 -5.12 114.94 112.81 1x5n s ASN 11 Ca 0.00 0.66 -0.15 0.00 0.21 0.00 0.00 52.86 53.58 1x5n s ASN 11 Cb 0.00 1.85 0.18 0.00 -0.55 0.00 0.00 41.25 42.72 1x5n s ASN 11 CO 0.00 -0.27 1.13 -0.60 -2.79 0.00 0.00 177.10 174.57 1x5n s ARG 12 N 2.76 0.11 -0.30 0.43 3.52 -1.26 -5.16 118.95 119.06 1x5n s ARG 12 Ca 0.18 0.19 -0.16 0.00 -0.13 0.00 0.00 55.73 55.80 1x5n s ARG 12 Cb -0.15 0.10 0.18 0.00 -1.56 0.00 0.00 34.95 33.52 1x5n s ARG 12 CO -0.20 -0.13 1.10 -2.00 -0.81 0.00 0.00 175.30 173.26 1x5n s GLU 13 N 2.97 0.21 0.03 5.12 2.12 -1.26 -5.06 118.70 122.83 1x5n s GLU 13 Ca -0.01 0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.77 1x5n s GLU 13 Cb -0.08 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.50 1x5n s GLU 13 CO -0.11 -0.06 0.00 -1.71 -0.54 0.00 0.00 175.26 172.84 1x5n n ASN 14 N 4.29 -0.24 -5.00 -1.70 2.85 -1.26 -5.15 115.26 109.05 1x5n n ASN 14 Ca -0.12 0.44 -0.18 0.00 -0.11 0.00 0.00 54.58 54.61 1x5n n ASN 14 Cb 0.55 0.61 0.02 0.00 1.24 0.00 0.00 39.78 42.20 1x5n n ASN 14 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1x5n s LYS 15 N -1.82 2.71 -0.09 1.20 3.01 -1.26 -4.80 119.74 118.69 1x5n s LYS 15 Ca 0.00 -1.22 -0.00 0.00 -1.01 0.00 0.00 55.97 53.73 1x5n s LYS 15 Cb 0.00 -2.70 0.00 0.00 -1.01 0.00 0.00 37.83 34.12 1x5n s LYS 15 CO 0.00 -0.41 0.01 0.39 0.51 0.00 0.00 175.35 175.85 1x5n n GLU 16 N -1.97 -1.40 -4.24 1.68 1.02 -1.24 -4.95 120.64 109.54 1x5n n GLU 16 Ca 0.09 1.47 -0.26 0.00 -0.02 0.00 0.00 57.16 58.43 1x5n n GLU 16 Cb 0.59 -2.33 -0.08 0.00 -0.02 0.00 0.00 31.44 29.60 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 -1.08 2.27 -0.27 3.49 -2.85 0.31 -4.96 119.74 116.65 1x5n s LYS 17 Ca -0.01 -1.18 -0.08 0.00 -1.00 0.00 0.00 55.97 53.70 1x5n s LYS 17 Cb 0.00 -2.27 -0.02 0.00 -2.06 0.00 0.00 37.83 33.47 1x5n s LYS 17 CO 0.25 0.44 0.10 0.21 0.10 0.00 0.00 175.35 176.45 1x5n s LYS 18 N -2.93 3.58 -0.14 1.78 2.20 -1.26 -1.27 119.74 121.70 1x5n s LYS 18 Ca 0.27 -0.54 0.02 0.00 -0.36 0.00 0.00 55.97 55.36 1x5n s LYS 18 Cb -0.09 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.83 1x5n s LYS 18 CO 0.17 -0.25 -0.22 0.14 -0.36 0.00 0.00 175.35 174.83 1x5n s VAL 19 N 1.62 2.05 -0.37 4.02 -7.23 0.32 -4.98 120.40 115.83 1x5n s VAL 19 Ca 0.06 -0.97 -0.13 0.00 -1.81 0.00 0.00 61.98 59.13 1x5n s VAL 19 Cb -0.16 -1.81 0.01 0.00 0.56 0.00 0.00 36.38 34.98 1x5n s VAL 19 CO 0.05 0.55 0.24 0.12 -0.31 0.00 0.00 175.10 175.75 1x5n s PHE 20 N 0.86 3.23 -0.26 2.82 2.19 -1.26 0.17 117.98 125.73 1x5n s PHE 20 Ca -0.06 -0.59 -0.12 0.00 0.33 0.00 0.00 56.93 56.49 1x5n s PHE 20 Cb -0.15 -2.49 -0.05 0.00 -1.31 0.00 0.00 43.02 39.02 1x5n s PHE 20 CO -0.03 -0.53 0.22 0.42 1.83 0.00 0.00 175.22 177.13 1x5n s ILE 21 N 1.65 5.30 -0.05 3.12 -1.09 0.43 -4.92 121.20 125.64 1x5n s ILE 21 Ca 0.04 0.26 0.02 0.00 -2.23 0.00 0.00 60.65 58.74 1x5n s ILE 21 Cb -0.18 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1x5n s ILE 21 CO 0.09 0.26 -0.08 -0.55 -1.23 0.00 0.00 174.94 173.43 1x5n s SER 22 N 1.51 4.58 -0.60 3.58 0.15 -1.25 -0.79 113.70 120.88 1x5n s SER 22 Ca 0.09 -0.06 0.03 0.00 0.70 0.00 0.00 55.95 56.70 1x5n s SER 22 Cb -0.15 -1.12 0.39 0.00 -1.71 0.00 0.00 66.02 63.43 1x5n s SER 22 CO 0.09 0.35 1.40 0.18 1.20 0.00 0.00 173.24 176.45 1x5n n LEU 23 N 2.11 5.64 -4.71 3.45 7.99 -0.85 -4.92 117.00 125.71 1x5n n LEU 23 Ca -0.17 -5.16 -0.28 0.00 -0.01 0.00 0.00 56.01 50.38 1x5n n LEU 23 Cb 0.53 -0.68 -0.07 0.00 -0.11 0.00 0.00 43.42 43.08 1x5n n LEU 23 CO 0.27 2.10 -0.31 0.68 -1.51 0.00 0.00 177.39 178.63 1x5n s VAL 24 N -5.25 4.05 0.00 4.08 -7.23 -1.26 -4.87 120.40 109.92 1x5n s VAL 24 Ca 0.49 -1.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 1x5n s VAL 24 Cb 0.39 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1x5n s VAL 24 CO -0.25 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.15 1x5n n GLY 25 N 0.16 -1.17 2.49 2.32 0.00 -1.26 -3.88 105.19 103.85 1x5n n GLY 25 Ca -0.10 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.23 6.82 -3.89 1.61 2.88 -1.26 -4.81 113.62 113.74 1x5n n SER 26 Ca 0.00 -2.58 -0.16 0.00 -1.33 0.00 0.00 58.87 54.81 1x5n n SER 26 Cb 0.00 -1.47 -0.15 0.00 -0.75 0.00 0.00 64.21 61.84 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 2.75 0.32 -0.02 -1.46 0.52 -1.25 -5.14 118.95 114.65 1x5n s ARG 27 Ca 0.59 -0.06 -0.01 0.00 -0.52 0.00 0.00 55.73 55.74 1x5n s ARG 27 Cb 0.16 -0.37 0.03 0.00 0.52 0.00 0.00 34.95 35.28 1x5n s ARG 27 CO -0.05 -0.00 0.04 0.20 0.02 0.00 0.00 175.30 175.51 1x5n s GLY 28 N 0.33 0.06 -0.08 -3.53 0.00 -1.26 -4.56 107.32 98.27 1x5n s GLY 28 Ca -0.03 0.31 -0.41 0.00 0.00 0.00 0.00 44.72 44.59 1x5n s GLY 28 CO -0.01 0.62 1.18 -0.10 0.00 0.00 0.00 173.10 174.80 1x5n n LEU 29 N 3.99 0.30 -0.61 0.66 7.94 -1.26 -4.49 117.00 123.53 1x5n n LEU 29 Ca -0.25 1.16 0.05 0.00 -1.11 0.00 0.00 56.01 55.86 1x5n n LEU 29 Cb 0.52 -0.93 0.20 0.00 0.53 0.00 0.00 43.42 43.74 1x5n n LEU 29 CO 0.22 -1.67 0.44 0.61 -1.11 0.00 0.00 177.39 175.88 1x5n n GLY 30 N 2.00 5.06 3.34 -3.96 0.00 -1.26 -4.92 105.19 105.44 1x5n n GLY 30 Ca 0.22 -1.27 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.64 4.55 0.01 0.00 0.15 0.05 -4.95 113.70 111.87 1x5n s SER 32 Ca 0.11 -0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.70 1x5n s SER 32 Cb -0.10 -1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 63.09 1x5n s SER 32 CO 0.04 0.33 -0.03 0.27 1.20 0.00 0.00 173.24 175.05 1x5n s ILE 33 N -0.86 3.90 0.12 6.45 -4.36 -1.26 0.12 121.20 125.31 1x5n s ILE 33 Ca 0.14 -0.74 0.07 0.00 -0.26 0.00 0.00 60.65 59.86 1x5n s ILE 33 Cb -0.11 -2.74 -0.04 0.00 1.25 0.00 0.00 42.46 40.82 1x5n s ILE 33 CO 0.03 0.35 -0.18 -0.44 0.24 0.00 0.00 174.94 174.94 1x5n s SER 34 N -1.60 2.33 0.43 4.36 0.01 0.11 -4.83 113.70 114.51 1x5n s SER 34 Ca 0.19 -0.76 -0.21 0.00 1.31 0.00 0.00 55.95 56.49 1x5n s SER 34 Cb -0.11 -0.12 -0.11 0.00 0.21 0.00 0.00 66.02 65.89 1x5n s SER 34 CO 0.10 -0.03 0.95 -0.94 0.41 0.00 0.00 173.24 173.72 1x5n s SER 35 N -2.23 6.92 0.30 2.44 1.04 -1.26 -1.93 113.70 118.97 1x5n s SER 35 Ca 0.08 1.67 0.07 0.00 0.48 0.00 0.00 55.95 58.25 1x5n s SER 35 Cb -0.08 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.49 1x5n s SER 35 CO 0.04 -0.37 0.34 -0.83 0.98 0.00 0.00 173.24 173.40 1x5n s GLY 36 N -2.23 1.55 0.02 7.32 0.00 -1.05 -4.91 107.32 108.02 1x5n s GLY 36 Ca 0.62 -1.48 -0.00 0.00 0.00 0.00 0.00 44.72 43.85 1x5n s GLY 36 CO 0.14 -1.44 0.02 -1.55 0.00 0.00 0.00 173.10 170.28 1x5n n PRO 37 N -1.42 -0.53 0.12 2.90 -0.04 -1.10 -4.50 135.00 130.43 1x5n n PRO 37 Ca -0.04 -0.04 -0.02 0.00 -0.04 0.00 0.00 63.50 63.36 1x5n n PRO 37 Cb 0.58 -0.03 0.12 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 -1.27 1.47 0.00 0.52 2.10 -2.00 0.35 117.51 118.68 1x5n h ILE 38 Ca -0.01 -2.37 -0.18 0.00 1.08 0.00 0.00 64.86 63.39 1x5n h ILE 38 Cb 0.02 2.28 -0.03 0.00 -1.09 0.00 0.00 36.82 38.01 1x5n h ILE 38 CO 0.01 0.67 -0.84 0.06 -1.08 0.00 0.00 178.15 176.97 1x5n h GLN 39 N 0.00 0.00 -2.05 2.19 3.07 -2.06 -3.36 115.11 112.91 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 1.23 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.39 1x5n h GLN 39 CO 0.09 0.84 -1.09 1.17 0.09 0.00 0.00 178.83 179.93 1x5n n LYS 40 N -3.35 1.33 -2.53 0.06 4.81 -1.13 -5.11 118.16 112.23 1x5n n LYS 40 Ca 0.00 -3.62 -0.36 0.00 -0.87 0.00 0.00 58.31 53.46 1x5n n LYS 40 Cb 0.86 -1.74 -0.04 0.00 0.02 0.00 0.00 35.03 34.13 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 -2.43 4.09 0.00 1.64 0.04 0.12 -2.70 135.00 135.76 1x5n s PRO 41 Ca 0.41 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1x5n s PRO 41 Cb 0.31 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1x5n s PRO 41 CO -0.09 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1x5n n GLY 42 N 0.24 0.95 3.48 0.56 0.00 -1.26 -4.91 105.19 104.26 1x5n n GLY 42 Ca 0.06 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.39 4.07 -0.05 -0.61 -1.09 -1.25 -2.52 121.20 117.36 1x5n s ILE 43 Ca 0.00 -0.28 0.01 0.00 -2.23 0.00 0.00 60.65 58.15 1x5n s ILE 43 Cb 0.00 -2.84 0.02 0.00 -1.58 0.00 0.00 42.46 38.07 1x5n s ILE 43 CO 0.00 0.44 -0.05 -0.36 -1.23 0.00 0.00 174.94 173.73 1x5n s PHE 44 N 0.85 0.86 0.69 3.97 0.40 -0.81 0.98 117.98 124.91 1x5n s PHE 44 Ca 0.01 -0.26 -0.17 0.00 -0.60 0.00 0.00 56.93 55.91 1x5n s PHE 44 Cb -0.14 -0.74 0.00 0.00 0.51 0.00 0.00 43.02 42.65 1x5n s PHE 44 CO 0.02 -0.22 1.09 -0.89 0.70 0.00 0.00 175.22 175.92 1x5n n ILE 45 N 4.12 3.55 0.00 0.64 5.41 -1.17 0.07 119.36 131.98 1x5n n ILE 45 Ca -0.23 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.11 1x5n n ILE 45 Cb 0.51 -1.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.20 1x5n n ILE 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1x5n n SER 46 N -1.80 3.56 -3.85 4.38 3.41 0.33 -3.65 113.62 115.99 1x5n n SER 46 Ca 0.14 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.66 1x5n n SER 46 Cb 0.49 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.98 0.11 -0.08 7.33 5.65 -1.18 -4.82 115.29 120.32 1x5n s HIS 47 Ca 0.00 -0.44 -0.03 0.00 0.25 0.00 0.00 55.06 54.84 1x5n s HIS 47 Cb 0.00 -0.05 0.05 0.00 -1.18 0.00 0.00 32.58 31.40 1x5n s HIS 47 CO 0.00 -0.48 0.16 0.08 -0.65 0.00 0.00 174.74 173.84 1x5n s VAL 48 N -3.22 -0.26 0.72 0.89 1.01 -1.26 -0.77 120.40 117.51 1x5n s VAL 48 Ca 0.00 0.36 -0.13 0.00 0.00 0.00 0.00 61.98 62.20 1x5n s VAL 48 Cb 0.02 -0.29 0.03 0.00 0.00 0.00 0.00 36.38 36.14 1x5n s VAL 48 CO -0.07 0.15 1.12 -0.54 0.00 0.00 0.00 175.10 175.76 1x5n s LYS 49 N 2.27 2.40 -0.16 2.72 1.02 0.26 -4.95 119.74 123.31 1x5n s LYS 49 Ca 0.03 1.41 -0.29 0.00 0.02 0.00 0.00 55.97 57.14 1x5n s LYS 49 Cb -0.12 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 35.28 1x5n s LYS 49 CO -0.06 -1.56 1.27 -1.25 -0.92 0.00 0.00 175.35 172.83 1x5n s PRO 50 N -4.31 4.23 -0.69 -1.68 0.04 -1.26 -2.62 135.00 128.72 1x5n s PRO 50 Ca 0.67 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1x5n s PRO 50 Cb -0.21 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1x5n s PRO 50 CO 0.47 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1x5n n GLY 51 N 3.62 0.81 0.00 0.56 0.00 -1.26 -5.02 105.19 103.90 1x5n n GLY 51 Ca 0.14 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.92 0.00 0.08 1.61 3.41 -1.08 -4.73 113.62 113.84 1x5n n SER 52 Ca -0.07 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.52 1x5n n SER 52 Cb 0.25 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.88 -3.07 115.31 118.52 1x5n h LEU 53 Ca 0.00 0.00 -0.29 0.00 0.13 0.00 0.00 57.88 57.72 1x5n h LEU 53 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.08 1x5n h LEU 53 CO 0.00 0.71 -1.95 -1.20 -0.13 0.00 0.00 178.44 175.87 1x5n n SER 54 N -3.18 0.48 0.02 1.25 7.64 -1.26 -3.76 113.62 114.81 1x5n n SER 54 Ca -0.03 0.22 0.10 0.00 1.01 0.00 0.00 58.87 60.18 1x5n n SER 54 Cb 0.85 0.50 0.43 0.00 -1.01 0.00 0.00 64.21 64.98 1x5n n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x5n n ALA 55 N -2.59 1.92 -0.01 -0.43 0.00 -1.25 0.20 120.51 118.34 1x5n n ALA 55 Ca -0.22 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.03 1x5n n ALA 55 Cb 1.04 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 19.01 1x5n n ALA 55 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1x5n n GLU 56 N -1.63 0.69 0.11 0.00 0.28 -1.16 -4.04 120.64 114.89 1x5n n GLU 56 Ca 0.05 0.27 0.04 0.00 -0.16 0.00 0.00 57.16 57.36 1x5n n GLU 56 Cb 0.25 -1.75 0.00 0.00 1.43 0.00 0.00 31.44 31.37 1x5n n GLU 56 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 1x5n h VAL 57 N 0.03 0.50 0.00 3.84 -1.51 -1.58 -3.47 116.25 114.06 1x5n h VAL 57 Ca -0.36 -1.81 0.00 0.00 -1.23 0.00 0.00 66.70 63.31 1x5n h VAL 57 Cb 2.03 2.10 0.00 0.00 -2.13 0.00 0.00 31.29 33.29 1x5n h VAL 57 CO 0.08 0.29 0.00 0.61 -1.23 0.00 0.00 177.57 177.32 1x5n n GLY 58 N 1.26 1.60 3.75 5.19 0.00 0.09 -5.09 105.19 111.97 1x5n n GLY 58 Ca -0.02 0.00 -0.40 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 4.57 0.24 0.99 1.43 0.52 -4.98 118.68 121.46 1x5n s LEU 59 Ca 0.00 1.80 0.01 0.00 -1.03 0.00 0.00 54.13 54.91 1x5n s LEU 59 Cb 0.00 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 1x5n s LEU 59 CO 0.00 0.08 0.19 -1.61 0.23 0.00 0.00 176.35 175.24 1x5n s GLU 60 N -0.66 1.40 0.18 1.70 2.02 -1.26 -4.20 118.70 117.88 1x5n s GLU 60 Ca 0.42 -1.74 -0.33 0.00 0.02 0.00 0.00 54.97 53.34 1x5n s GLU 60 Cb -0.24 0.30 -0.13 0.00 0.10 0.00 0.00 34.13 34.15 1x5n s GLU 60 CO 0.30 -0.49 1.59 -0.89 0.02 0.00 0.00 175.26 175.79 1x5n n ILE 61 N -0.39 0.14 0.00 -1.63 5.41 -1.26 -2.05 119.36 119.58 1x5n n ILE 61 Ca 0.04 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1x5n n ILE 61 Cb 0.65 -1.64 0.00 0.00 -0.71 0.00 0.00 39.64 37.94 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 3.34 2.31 3.54 7.39 0.00 -1.24 -4.82 105.19 115.71 1x5n n GLY 62 Ca 0.16 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 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 1.82 -4.74 1.61 8.00 -0.87 -2.00 116.55 120.49 1x5n n ASP 63 Ca 0.00 -0.52 -0.40 0.00 0.71 0.00 0.00 54.79 54.58 1x5n n ASP 63 Cb 0.00 -1.46 -0.05 0.00 -0.02 0.00 0.00 41.12 39.59 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 8.45 4.55 -0.44 -1.24 0.74 -1.26 -3.03 119.66 127.43 1x5n s GLN 64 Ca 1.05 1.17 -0.24 0.00 0.05 0.00 0.00 55.36 57.38 1x5n s GLN 64 Cb -0.36 -3.37 0.02 0.00 1.10 0.00 0.00 33.01 30.40 1x5n s GLN 64 CO 0.29 0.26 0.83 0.42 -0.55 0.00 0.00 175.29 176.54 1x5n s ILE 65 N -0.02 4.60 -0.06 -2.34 1.01 0.27 -3.56 121.20 121.10 1x5n s ILE 65 Ca 0.41 0.60 0.19 0.00 0.00 0.00 0.00 60.65 61.85 1x5n s ILE 65 Cb -0.21 -4.35 -0.29 0.00 0.01 0.00 0.00 42.46 37.62 1x5n s ILE 65 CO 0.25 -0.72 0.35 1.33 0.00 0.00 0.00 174.94 176.15 1x5n n VAL 66 N 6.19 0.27 -3.69 2.92 0.24 -1.02 -3.80 118.33 119.44 1x5n n VAL 66 Ca 0.04 -0.52 -0.14 0.00 -2.04 0.00 0.00 64.34 61.67 1x5n n VAL 66 Cb 0.48 -0.07 -0.08 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 -3.16 0.73 -0.10 7.34 2.12 -1.18 -1.26 118.70 123.19 1x5n s GLU 67 Ca -0.08 0.16 -0.05 0.00 0.36 0.00 0.00 54.97 55.37 1x5n s GLU 67 Cb 0.11 0.34 0.05 0.00 0.26 0.00 0.00 34.13 34.88 1x5n s GLU 67 CO 0.80 -0.18 0.22 0.08 -0.54 0.00 0.00 175.26 175.64 1x5n s VAL 68 N -0.84 -0.07 -0.61 3.70 1.01 -1.11 0.93 120.40 123.40 1x5n s VAL 68 Ca -0.09 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 1x5n s VAL 68 Cb -0.03 -0.35 0.04 0.00 0.00 0.00 0.00 36.38 36.03 1x5n s VAL 68 CO 0.05 0.07 0.13 -3.20 0.00 0.00 0.00 175.10 172.14 1x5n n ASN 69 N 4.33 -2.11 -0.91 3.32 2.85 0.44 0.18 115.26 123.35 1x5n n ASN 69 Ca -0.24 0.13 -0.03 0.00 -0.11 0.00 0.00 54.58 54.33 1x5n n ASN 69 Cb 0.52 -1.87 0.01 0.00 1.24 0.00 0.00 39.78 39.69 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 -0.72 0.74 3.57 8.20 0.00 -1.26 -4.88 105.19 110.84 1x5n n GLY 70 Ca -0.02 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.04 3.08 -0.95 1.61 1.01 0.46 -5.07 120.40 117.51 1x5n s VAL 71 Ca 0.06 -1.93 -0.17 0.00 0.00 0.00 0.00 61.98 59.94 1x5n s VAL 71 Cb -0.03 -2.58 0.15 0.00 0.00 0.00 0.00 36.38 33.92 1x5n s VAL 71 CO 0.09 -0.26 1.10 -0.62 0.00 0.00 0.00 175.10 175.40 1x5n s ASP 72 N -3.26 6.72 -0.15 3.32 -1.08 -1.26 -2.74 116.67 118.22 1x5n s ASP 72 Ca 0.28 -2.29 0.07 0.00 -0.52 0.00 0.00 52.55 50.08 1x5n s ASP 72 Cb -0.07 -2.36 0.43 0.00 -1.46 0.00 0.00 42.92 39.46 1x5n s ASP 72 CO 0.16 -0.93 1.23 0.49 0.52 0.00 0.00 175.17 176.65 1x5n n PHE 73 N 5.93 1.23 -0.03 -5.34 3.01 -0.39 -4.18 117.46 117.69 1x5n n PHE 73 Ca 0.24 -0.54 -0.13 0.00 1.01 0.00 0.00 57.45 58.03 1x5n n PHE 73 Cb 0.48 -0.38 -0.11 0.00 -0.01 0.00 0.00 39.48 39.46 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 1.89 -0.02 -1.55 4.37 0.87 -1.79 -3.36 113.55 113.96 1x5n h SER 74 Ca 0.06 -0.69 -0.59 0.00 -1.23 0.00 0.00 61.79 59.34 1x5n h SER 74 Cb 1.43 0.01 -0.42 0.00 -0.44 0.00 0.00 62.40 62.98 1x5n h SER 74 CO 0.33 0.70 -0.70 0.59 -0.53 0.00 0.00 176.83 177.22 1x5n n ASN 75 N -4.75 4.76 -1.77 6.23 3.02 -1.26 -4.12 115.26 117.36 1x5n n ASN 75 Ca -0.09 -3.72 0.00 0.00 -0.03 0.00 0.00 54.58 50.74 1x5n n ASN 75 Cb 0.35 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 -0.48 0.00 -4.34 3.41 4.77 -1.26 -5.10 117.00 114.01 1x5n n LEU 76 Ca 0.39 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 56.20 1x5n n LEU 76 Cb 0.65 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.64 1x5n n LEU 76 CO 0.33 -0.37 -0.24 -0.62 -1.33 0.00 0.00 177.39 175.16 1x5n s ASP 77 N -1.00 1.38 0.00 -1.43 2.15 -1.26 -4.88 116.67 111.63 1x5n s ASP 77 Ca 0.00 -1.42 0.16 0.00 0.43 0.00 0.00 52.55 51.72 1x5n s ASP 77 Cb 0.00 0.19 0.76 0.00 -0.30 0.00 0.00 42.92 43.57 1x5n s ASP 77 CO 0.00 -0.75 1.47 1.57 -0.17 0.00 0.00 175.17 177.29 1x5n n HIS 78 N -0.51 0.00 -0.08 -5.34 -0.00 -1.26 0.67 115.22 108.70 1x5n n HIS 78 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 1x5n n HIS 78 Cb 0.66 -0.36 -0.08 0.00 -0.00 0.00 0.00 29.99 30.22 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 0.52 0.03 1.57 5.02 -1.26 -4.12 118.16 118.56 1x5n n LYS 79 Ca 0.06 0.08 -0.20 0.00 -2.02 0.00 0.00 58.31 56.24 1x5n n LYS 79 Cb 0.15 -1.32 -0.11 0.00 -0.02 0.00 0.00 35.03 33.73 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 0.64 0.00 1.97 5.08 -1.88 0.52 114.58 120.90 1x5n h GLU 80 Ca -0.35 -0.69 -0.03 0.00 -1.00 0.00 0.00 59.36 57.29 1x5n h GLU 80 Cb 1.57 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 31.01 1x5n h GLU 80 CO -0.05 1.28 -0.12 0.00 -1.00 0.00 0.00 179.01 179.12 1x5n h ALA 81 N 0.38 1.21 0.00 3.43 0.00 -0.01 -0.72 119.26 123.54 1x5n h ALA 81 Ca -0.12 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.45 1x5n h ALA 81 Cb 1.61 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 1x5n h ALA 81 CO 0.19 0.16 -1.24 0.28 0.00 0.00 0.00 179.25 178.63 1x5n h VAL 82 N 0.00 0.88 -0.94 0.00 2.07 -1.69 -3.27 116.25 113.29 1x5n h VAL 82 Ca -0.00 -2.14 0.20 0.00 0.82 0.00 0.00 66.70 65.58 1x5n h VAL 82 Cb 0.40 2.14 -0.11 0.00 -1.52 0.00 0.00 31.29 32.19 1x5n h VAL 82 CO 0.02 0.30 0.52 0.78 0.02 0.00 0.00 177.57 179.20 1x5n h ASN 83 N -1.00 0.60 0.44 0.57 2.35 0.17 1.71 115.58 120.41 1x5n h ASN 83 Ca -0.34 0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.50 1x5n h ASN 83 Cb 1.28 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.67 1x5n h ASN 83 CO -0.21 0.16 -0.15 0.58 -1.65 0.00 0.00 177.43 176.16 1x5n h VAL 84 N 0.60 0.62 0.12 2.81 2.07 -1.29 0.63 116.25 121.81 1x5n h VAL 84 Ca 0.57 -0.66 -0.27 0.00 0.82 0.00 0.00 66.70 67.15 1x5n h VAL 84 Cb 0.96 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1x5n h VAL 84 CO -0.44 0.15 -1.27 -0.07 0.02 0.00 0.00 177.57 175.96 1x5n h LEU 85 N 0.00 0.38 -0.74 2.57 3.38 0.23 -3.20 115.31 117.93 1x5n h LEU 85 Ca -0.00 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 1x5n h LEU 85 Cb 0.41 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1x5n h LEU 85 CO 0.02 1.34 -0.35 0.11 0.09 0.00 0.00 178.44 179.65 1x5n h LYS 86 N 0.07 0.00 0.00 1.13 1.57 0.45 -3.34 116.57 116.45 1x5n h LYS 86 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1x5n h LYS 86 Cb 1.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.27 1x5n h LYS 86 CO 0.19 0.35 0.00 0.45 -0.57 0.00 0.00 179.45 179.87 1x5n n SER 87 N -3.39 0.00 -2.13 0.86 2.88 0.13 -4.73 113.62 107.24 1x5n n SER 87 Ca 0.01 0.73 -0.05 0.00 -1.33 0.00 0.00 58.87 58.23 1x5n n SER 87 Cb 0.54 -0.35 -0.01 0.00 -0.75 0.00 0.00 64.21 63.64 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 -2.62 1.55 -0.11 -3.46 2.88 -1.25 -5.09 113.62 105.52 1x5n n SER 88 Ca 0.00 -1.36 -0.20 0.00 -1.33 0.00 0.00 58.87 55.97 1x5n n SER 88 Cb 0.00 0.12 -0.09 0.00 -0.75 0.00 0.00 64.21 63.49 1x5n n SER 88 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x5n n ARG 89 N -0.18 0.55 -2.88 -1.46 5.12 -1.26 -4.82 116.66 111.73 1x5n n ARG 89 Ca -0.02 0.44 -0.43 0.00 -1.93 0.00 0.00 57.85 55.91 1x5n n ARG 89 Cb 0.10 -1.63 -0.05 0.00 -1.16 0.00 0.00 32.46 29.73 1x5n n ARG 89 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1x5n s SER 90 N -6.78 6.45 0.12 0.55 0.01 -1.26 -2.00 113.70 110.79 1x5n s SER 90 Ca -0.30 -0.02 0.06 0.00 1.31 0.00 0.00 55.95 57.01 1x5n s SER 90 Cb 0.08 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 1x5n s SER 90 CO 0.49 -1.00 -0.15 -0.76 0.41 0.00 0.00 173.24 172.22 1x5n s LEU 91 N 3.56 2.38 -0.44 2.44 1.02 0.03 -4.99 118.68 122.69 1x5n s LEU 91 Ca 0.33 -0.78 -0.06 0.00 0.02 0.00 0.00 54.13 53.64 1x5n s LEU 91 Cb -0.11 -0.62 0.11 0.00 0.02 0.00 0.00 46.19 45.60 1x5n s LEU 91 CO 0.24 -0.10 0.27 -0.89 0.02 0.00 0.00 176.35 175.89 1x5n s THR 92 N -1.94 3.70 -0.06 5.49 2.01 -1.26 -0.43 115.64 123.16 1x5n s THR 92 Ca 0.08 -1.93 -0.20 0.00 0.31 0.00 0.00 61.69 59.95 1x5n s THR 92 Cb -0.06 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 1x5n s THR 92 CO 0.04 -0.73 0.57 -0.63 -0.69 0.00 0.00 174.62 173.18 1x5n s ILE 93 N 1.24 5.05 -0.41 1.82 1.01 0.45 0.17 121.20 130.53 1x5n s ILE 93 Ca 0.07 1.17 -0.04 0.00 0.00 0.00 0.00 60.65 61.85 1x5n s ILE 93 Cb -0.24 -3.91 0.10 0.00 0.01 0.00 0.00 42.46 38.42 1x5n s ILE 93 CO -0.03 0.35 0.21 -0.44 0.00 0.00 0.00 174.94 175.04 1x5n s SER 94 N 0.31 5.33 0.36 3.58 0.01 0.26 0.12 113.70 123.67 1x5n s SER 94 Ca 0.30 -1.89 0.07 0.00 1.31 0.00 0.00 55.95 55.75 1x5n s SER 94 Cb -0.17 -1.86 -0.01 0.00 0.21 0.00 0.00 66.02 64.19 1x5n s SER 94 CO 0.15 -0.54 0.48 0.27 0.41 0.00 0.00 173.24 174.01 1x5n s ILE 95 N 1.21 3.70 -0.40 1.44 -4.36 -0.40 -2.44 121.20 119.96 1x5n s ILE 95 Ca 0.06 -1.03 0.05 0.00 -0.26 0.00 0.00 60.65 59.48 1x5n s ILE 95 Cb -0.23 -3.27 0.53 0.00 1.25 0.00 0.00 42.46 40.74 1x5n s ILE 95 CO -0.03 -0.11 1.64 0.52 0.24 0.00 0.00 174.94 177.21 1x5n n VAL 96 N -1.68 2.90 -3.00 8.37 0.31 -1.23 0.11 118.33 124.11 1x5n n VAL 96 Ca 0.02 -2.76 -0.01 0.00 -0.01 0.00 0.00 64.34 61.59 1x5n n VAL 96 Cb 0.59 -0.60 -0.01 0.00 -0.91 0.00 0.00 33.84 32.91 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 -2.21 -3.81 3.52 0.00 -1.26 -3.47 120.51 112.24 1x5n n ALA 97 Ca 0.46 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.99 1x5n n ALA 97 Cb 1.13 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.39 -0.47 0.00 0.00 -1.26 -4.90 120.51 113.08 1x5n n ALA 98 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1x5n n ALA 98 Cb 0.29 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.57 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 -4.35 -0.26 -2.18 0.00 0.00 -0.85 -3.69 120.51 109.18 1x5n n ALA 99 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.89 1x5n n ALA 99 Cb 0.62 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.72 5.62 0.27 0.00 0.00 -1.09 -4.68 105.19 104.58 1x5n n GLY 100 Ca 0.00 -2.41 -0.08 0.00 0.00 0.00 0.00 46.02 43.54 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 3.70 0.91 -1.34 1.61 2.43 -1.68 -2.49 114.38 117.51 1x5n h ARG 101 Ca 0.55 -0.19 0.43 0.00 -0.81 0.00 0.00 59.98 59.97 1x5n h ARG 101 Cb 0.25 -0.13 -0.12 0.00 -0.42 0.00 0.00 29.97 29.55 1x5n h ARG 101 CO 1.27 0.80 0.88 1.05 -1.51 0.00 0.00 179.97 182.46 1x5n h GLU 102 N 0.83 0.09 -0.89 0.20 4.11 -1.89 1.03 114.58 118.05 1x5n h GLU 102 Ca 0.19 -0.01 0.23 0.00 0.07 0.00 0.00 59.36 59.85 1x5n h GLU 102 Cb 0.26 -0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.36 1x5n h GLU 102 CO -0.01 0.06 0.31 -0.07 0.07 0.00 0.00 179.01 179.37 1x5n h LEU 103 N 0.09 0.15 -5.76 3.06 3.38 -1.84 -1.24 115.31 113.15 1x5n h LEU 103 Ca 0.81 0.18 -0.67 0.00 0.09 0.00 0.00 57.88 58.29 1x5n h LEU 103 Cb 2.59 0.21 -0.37 0.00 0.09 0.00 0.00 40.66 43.18 1x5n h LEU 103 CO -0.38 -0.10 -0.07 0.49 0.09 0.00 0.00 178.44 178.47 1x5n n PHE 104 N -5.15 3.54 -2.10 1.13 3.72 0.35 -4.85 117.46 114.11 1x5n n PHE 104 Ca 0.22 -3.52 -0.37 0.00 -0.05 0.00 0.00 57.45 53.73 1x5n n PHE 104 Cb 0.69 -0.74 0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1x5n n PHE 104 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x5n n MET 105 N 0.02 3.06 -4.21 -1.08 0.00 -0.47 -4.97 117.12 109.47 1x5n n MET 105 Ca 0.35 -3.83 -0.12 0.00 0.00 0.00 0.00 57.70 54.10 1x5n n MET 105 Cb 0.35 -2.28 -0.10 0.00 0.00 0.00 0.00 33.22 31.20 1x5n n MET 105 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1x5n s THR 106 N -5.13 0.93 -0.23 3.17 -1.32 -1.26 -5.07 115.64 106.72 1x5n s THR 106 Ca 0.50 -2.00 -0.12 0.00 -1.21 0.00 0.00 61.69 58.86 1x5n s THR 106 Cb 0.41 -1.77 -0.10 0.00 -1.51 0.00 0.00 72.50 69.53 1x5n s THR 106 CO -0.35 -0.81 -0.31 -0.67 -2.21 0.00 0.00 174.62 170.28 1x5n n ASP 107 N -0.12 1.71 -4.46 8.08 2.03 -1.26 -4.99 116.55 117.53 1x5n n ASP 107 Ca -0.11 0.30 -0.43 0.00 0.52 0.00 0.00 54.79 55.06 1x5n n ASP 107 Cb 0.61 -0.71 -0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1x5n n ASP 107 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1x5n n ARG 108 N -4.10 0.59 0.17 -0.67 5.12 -1.26 -4.81 116.66 111.69 1x5n n ARG 108 Ca -0.45 0.21 0.00 0.00 -1.93 0.00 0.00 57.85 55.68 1x5n n ARG 108 Cb 0.81 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.65 1x5n n ARG 108 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1x5n n SER 109 N 1.43 -3.06 0.00 0.55 2.88 -1.26 -5.17 113.62 109.00 1x5n n SER 109 Ca 0.12 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.32 1x5n n SER 109 Cb 0.36 2.98 0.00 0.00 -0.75 0.00 0.00 64.21 66.80 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 -1.49 3.93 2.37 0.46 0.00 -1.26 -4.99 105.19 104.20 1x5n n GLY 110 Ca 0.00 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 1x5n n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5n n PRO 111 N -1.16 2.36 -3.48 1.61 -0.04 -1.26 -4.66 135.00 128.37 1x5n n PRO 111 Ca 0.00 -1.44 -0.37 0.00 -0.04 0.00 0.00 63.50 61.65 1x5n n PRO 111 Cb 0.00 -2.36 0.04 0.00 -0.04 0.00 0.00 33.50 31.13 1x5n n PRO 111 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5n n SER 112 N 3.51 -5.62 -0.20 3.54 2.88 -1.26 -4.81 113.62 111.65 1x5n n SER 112 Ca 0.50 -0.15 -0.06 0.00 -1.33 0.00 0.00 58.87 57.83 1x5n n SER 112 Cb 0.34 -1.88 -0.05 0.00 -0.75 0.00 0.00 64.21 61.87 1x5n n SER 112 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x5n h SER 113 N 1.99 -1.10 0.00 -3.46 0.02 -1.98 -3.56 113.55 105.46 1x5n h SER 113 Ca -0.54 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1x5n h SER 113 Cb 1.39 0.48 0.00 0.00 0.14 0.00 0.00 62.40 64.41 1x5n h SER 113 CO 0.23 -0.13 0.00 0.61 -1.14 0.00 0.00 176.83 176.40