#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 -0.12 -0.05 1.61 0.15 -1.26 -5.19 113.70 108.84 1x5n s SER 2 Ca 0.00 -0.02 -0.30 0.00 0.70 0.00 0.00 55.95 56.33 1x5n s SER 2 Cb 0.00 0.15 0.11 0.00 -1.71 0.00 0.00 66.02 64.57 1x5n s SER 2 CO 0.00 -0.24 0.95 -0.55 1.20 0.00 0.00 173.24 174.60 1x5n s SER 3 N -2.30 -0.32 0.47 5.45 0.15 -1.26 -5.15 113.70 110.74 1x5n s SER 3 Ca 0.10 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1x5n s SER 3 Cb -0.00 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1x5n s SER 3 CO -0.04 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1x5n n GLY 4 N -0.16 -0.72 3.23 9.45 0.00 -1.26 -4.99 105.19 110.73 1x5n n GLY 4 Ca -0.07 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 1x5n n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5n n SER 5 N -1.26 -6.56 -0.02 1.61 2.88 -1.26 -4.94 113.62 104.07 1x5n n SER 5 Ca 0.00 0.14 -0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1x5n n SER 5 Cb 0.00 -3.25 -0.07 0.00 -0.75 0.00 0.00 64.21 60.14 1x5n n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x5n n SER 6 N -0.22 2.95 -0.52 -3.46 2.88 -1.26 -5.12 113.62 108.87 1x5n n SER 6 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x5n n SER 6 Cb 0.59 1.03 0.00 0.00 -0.75 0.00 0.00 64.21 65.08 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 2.26 -3.78 3.78 0.46 0.00 -1.26 -5.03 105.19 101.61 1x5n n GLY 7 Ca -0.08 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.78 5.59 0.45 1.61 0.01 -1.26 -5.10 113.70 114.23 1x5n s SER 8 Ca 0.00 0.08 -0.22 0.00 1.31 0.00 0.00 55.95 57.12 1x5n s SER 8 Cb 0.00 -1.56 -0.09 0.00 0.21 0.00 0.00 66.02 64.58 1x5n s SER 8 CO 0.00 0.23 1.04 -2.16 0.41 0.00 0.00 173.24 172.76 1x5n s PRO 9 N -2.00 3.94 -0.31 12.44 0.04 -1.26 -4.99 135.00 142.86 1x5n s PRO 9 Ca 0.25 1.42 0.19 0.00 0.04 0.00 0.00 61.00 62.90 1x5n s PRO 9 Cb -0.12 -2.26 0.47 0.00 0.04 0.00 0.00 34.50 32.63 1x5n s PRO 9 CO 0.17 -0.32 1.01 0.41 0.04 0.00 0.00 177.00 178.31 1x5n n GLY 10 N -0.04 1.58 3.64 0.56 0.00 -1.26 -5.07 105.19 104.61 1x5n n GLY 10 Ca 0.08 -1.17 -0.05 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.21 -0.27 -0.27 1.61 3.84 -1.26 -5.18 114.94 110.21 1x5n s ASN 11 Ca 0.27 0.50 -0.28 0.00 0.21 0.00 0.00 52.86 53.55 1x5n s ASN 11 Cb 0.42 0.62 0.17 0.00 -0.55 0.00 0.00 41.25 41.91 1x5n s ASN 11 CO 0.01 -0.08 1.29 -0.60 -2.79 0.00 0.00 177.10 174.93 1x5n s ARG 12 N 0.33 0.19 -0.03 0.43 6.06 -1.26 -5.18 118.95 119.49 1x5n s ARG 12 Ca 0.03 0.10 -0.30 0.00 -2.50 0.00 0.00 55.73 53.06 1x5n s ARG 12 Cb -0.05 0.09 0.08 0.00 0.06 0.00 0.00 34.95 35.13 1x5n s ARG 12 CO -0.11 -0.05 0.71 -1.21 -2.50 0.00 0.00 175.30 172.14 1x5n s GLU 13 N -0.67 1.03 -0.20 5.12 2.02 -1.26 -5.08 118.70 119.66 1x5n s GLU 13 Ca 0.06 0.12 -0.16 0.00 0.02 0.00 0.00 54.97 55.01 1x5n s GLU 13 Cb -0.02 0.48 -0.08 0.00 0.10 0.00 0.00 34.13 34.61 1x5n s GLU 13 CO -0.08 -0.35 -0.29 0.09 0.02 0.00 0.00 175.26 174.66 1x5n n ASN 14 N 0.66 1.92 -4.81 -0.19 4.13 -1.26 -4.99 115.26 110.71 1x5n n ASN 14 Ca -0.17 0.39 -0.29 0.00 1.68 0.00 0.00 54.58 56.19 1x5n n ASN 14 Cb 0.58 -0.80 0.10 0.00 -1.54 0.00 0.00 39.78 38.13 1x5n n ASN 14 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1x5n s LYS 15 N -2.67 1.82 -0.13 3.52 3.01 -1.26 -4.66 119.74 119.38 1x5n s LYS 15 Ca -0.29 0.01 -0.01 0.00 -1.01 0.00 0.00 55.97 54.68 1x5n s LYS 15 Cb 0.06 -1.96 0.00 0.00 -1.01 0.00 0.00 37.83 34.93 1x5n s LYS 15 CO 0.42 -1.66 0.01 0.39 0.51 0.00 0.00 175.35 175.02 1x5n n GLU 16 N -3.34 -1.75 -4.70 1.68 1.02 -1.25 -4.96 120.64 107.35 1x5n n GLU 16 Ca 0.09 1.69 -0.31 0.00 -0.02 0.00 0.00 57.16 58.60 1x5n n GLU 16 Cb 0.61 -2.84 -0.12 0.00 -0.02 0.00 0.00 31.44 29.06 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 -1.18 2.24 -0.20 3.49 -2.85 0.98 -4.96 119.74 117.25 1x5n s LYS 17 Ca -0.01 -0.88 -0.20 0.00 -1.00 0.00 0.00 55.97 53.88 1x5n s LYS 17 Cb 0.00 -2.27 -0.03 0.00 -2.06 0.00 0.00 37.83 33.47 1x5n s LYS 17 CO 0.34 0.57 0.59 0.21 0.10 0.00 0.00 175.35 177.15 1x5n s LYS 18 N -1.25 4.19 -0.09 1.78 2.36 -1.26 -1.99 119.74 123.48 1x5n s LYS 18 Ca 0.14 0.53 0.02 0.00 -2.55 0.00 0.00 55.97 54.11 1x5n s LYS 18 Cb -0.11 -3.58 0.01 0.00 -1.05 0.00 0.00 37.83 33.11 1x5n s LYS 18 CO 0.04 -0.22 -0.14 0.14 1.55 0.00 0.00 175.35 176.72 1x5n s VAL 19 N 1.86 1.36 -0.28 4.02 -7.23 0.12 -5.01 120.40 115.24 1x5n s VAL 19 Ca 0.27 -0.59 -0.08 0.00 -1.81 0.00 0.00 61.98 59.77 1x5n s VAL 19 Cb -0.16 -1.24 -0.02 0.00 0.56 0.00 0.00 36.38 35.53 1x5n s VAL 19 CO 0.10 0.41 0.10 0.12 -0.31 0.00 0.00 175.10 175.52 1x5n s PHE 20 N 0.81 3.13 -0.37 2.82 2.19 -1.26 0.14 117.98 125.44 1x5n s PHE 20 Ca -0.11 -0.53 -0.08 0.00 0.33 0.00 0.00 56.93 56.54 1x5n s PHE 20 Cb -0.16 -2.29 0.05 0.00 -1.31 0.00 0.00 43.02 39.32 1x5n s PHE 20 CO 0.02 -0.41 0.17 0.42 1.83 0.00 0.00 175.22 177.25 1x5n s ILE 21 N 1.60 4.05 -0.27 3.12 -1.09 0.42 -4.95 121.20 124.07 1x5n s ILE 21 Ca 0.05 -1.20 -0.09 0.00 -2.23 0.00 0.00 60.65 57.19 1x5n s ILE 21 Cb -0.16 -3.36 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 1x5n s ILE 21 CO 0.05 -0.31 0.12 -0.55 -1.23 0.00 0.00 174.94 173.02 1x5n s SER 22 N 1.66 5.42 -1.32 3.58 0.15 -1.25 -1.88 113.70 120.06 1x5n s SER 22 Ca 0.01 -0.26 -0.17 0.00 0.70 0.00 0.00 55.95 56.22 1x5n s SER 22 Cb -0.21 -1.98 0.07 0.00 -1.71 0.00 0.00 66.02 62.19 1x5n s SER 22 CO 0.03 -0.09 1.81 0.18 1.20 0.00 0.00 173.24 176.38 1x5n n LEU 23 N 4.97 5.23 -4.18 3.45 7.99 0.66 -4.88 117.00 130.23 1x5n n LEU 23 Ca -0.15 -3.96 -0.11 0.00 -0.01 0.00 0.00 56.01 51.78 1x5n n LEU 23 Cb 0.51 -1.74 -0.10 0.00 -0.11 0.00 0.00 43.42 41.98 1x5n n LEU 23 CO 0.32 0.30 -0.35 0.68 -1.51 0.00 0.00 177.39 176.83 1x5n s VAL 24 N 4.06 0.52 0.00 4.08 -7.23 -1.26 -4.82 120.40 115.76 1x5n s VAL 24 Ca 0.53 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 1x5n s VAL 24 Cb 0.05 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 35.12 1x5n s VAL 24 CO 0.05 -0.68 0.00 0.61 -0.31 0.00 0.00 175.10 174.78 1x5n n GLY 25 N -0.10 0.65 2.16 2.32 0.00 -1.26 -3.10 105.19 105.86 1x5n n GLY 25 Ca -0.09 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.29 5.88 -3.89 1.61 7.64 -1.26 -4.80 113.62 116.51 1x5n n SER 26 Ca 0.00 -2.69 -0.14 0.00 1.01 0.00 0.00 58.87 57.05 1x5n n SER 26 Cb 0.00 -1.38 -0.15 0.00 -1.01 0.00 0.00 64.21 61.67 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 0.35 0.20 -0.27 1.43 1.81 -1.18 -5.04 118.95 116.25 1x5n s ARG 27 Ca 0.65 -0.05 0.17 0.00 -1.72 0.00 0.00 55.73 54.78 1x5n s ARG 27 Cb 0.32 -0.22 0.43 0.00 -0.45 0.00 0.00 34.95 35.03 1x5n s ARG 27 CO -0.06 0.02 1.31 0.41 -0.68 0.00 0.00 175.30 176.29 1x5n n GLY 28 N 3.22 1.80 2.22 -3.53 0.00 -1.26 -4.03 105.19 103.61 1x5n n GLY 28 Ca -0.15 -0.59 -0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.94 -6.20 -0.91 0.99 7.94 -1.26 -4.92 117.00 111.70 1x5n n LEU 29 Ca -0.06 2.57 0.08 0.00 -1.11 0.00 0.00 56.01 57.49 1x5n n LEU 29 Cb 0.85 -3.04 0.22 0.00 0.53 0.00 0.00 43.42 41.98 1x5n n LEU 29 CO -0.05 -2.67 0.69 0.61 -1.11 0.00 0.00 177.39 174.85 1x5n n GLY 30 N 1.65 2.69 3.83 -3.96 0.00 -1.26 -4.94 105.19 103.21 1x5n n GLY 30 Ca -0.01 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.17 5.65 0.04 0.00 0.15 -0.25 -4.95 113.70 112.17 1x5n s SER 32 Ca 0.29 0.25 0.03 0.00 0.70 0.00 0.00 55.95 57.21 1x5n s SER 32 Cb -0.12 -1.71 -0.04 0.00 -1.71 0.00 0.00 66.02 62.43 1x5n s SER 32 CO 0.21 0.37 0.02 0.27 1.20 0.00 0.00 173.24 175.31 1x5n s ILE 33 N -0.84 4.23 0.01 6.45 -4.36 -1.26 0.15 121.20 125.58 1x5n s ILE 33 Ca 0.13 -0.72 0.00 0.00 -0.26 0.00 0.00 60.65 59.80 1x5n s ILE 33 Cb -0.12 -2.95 -0.01 0.00 1.25 0.00 0.00 42.46 40.63 1x5n s ILE 33 CO 0.03 0.26 -0.03 -0.44 0.24 0.00 0.00 174.94 175.00 1x5n s SER 34 N -1.92 0.26 0.04 4.36 0.01 0.19 -4.78 113.70 111.85 1x5n s SER 34 Ca 0.23 -0.29 -0.20 0.00 1.31 0.00 0.00 55.95 57.00 1x5n s SER 34 Cb -0.12 0.04 -0.06 0.00 0.21 0.00 0.00 66.02 66.09 1x5n s SER 34 CO 0.15 -0.15 0.59 -0.44 0.41 0.00 0.00 173.24 173.79 1x5n s SER 35 N -0.83 7.04 1.02 2.44 0.01 -1.26 -0.64 113.70 121.47 1x5n s SER 35 Ca -0.08 1.23 -0.17 0.00 1.31 0.00 0.00 55.95 58.24 1x5n s SER 35 Cb -0.06 -2.37 0.22 0.00 0.21 0.00 0.00 66.02 64.03 1x5n s SER 35 CO -0.00 0.20 1.29 -0.83 0.41 0.00 0.00 173.24 174.30 1x5n s GLY 36 N -0.73 1.75 0.10 3.44 0.00 -0.89 -4.91 107.32 106.07 1x5n s GLY 36 Ca 0.30 -1.18 -0.02 0.00 0.00 0.00 0.00 44.72 43.82 1x5n s GLY 36 CO 0.18 -0.37 0.11 -1.55 0.00 0.00 0.00 173.10 171.47 1x5n n PRO 37 N -3.99 -0.65 0.12 2.90 -0.04 -1.12 -4.49 135.00 127.74 1x5n n PRO 37 Ca 0.15 -0.17 -0.02 0.00 -0.04 0.00 0.00 63.50 63.42 1x5n n PRO 37 Cb 0.59 -0.13 0.12 0.00 -0.04 0.00 0.00 33.50 34.04 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 -1.34 1.48 0.01 0.52 2.10 -1.98 0.46 117.51 118.77 1x5n h ILE 38 Ca -0.04 -2.36 -0.20 0.00 1.08 0.00 0.00 64.86 63.34 1x5n h ILE 38 Cb 0.11 2.28 -0.02 0.00 -1.09 0.00 0.00 36.82 38.09 1x5n h ILE 38 CO 0.02 0.67 -0.93 0.06 -1.08 0.00 0.00 178.15 176.90 1x5n h GLN 39 N 0.00 0.06 -2.05 2.19 3.07 -2.05 -3.36 115.11 112.98 1x5n h GLN 39 Ca -0.01 -0.08 -0.51 0.00 0.09 0.00 0.00 58.65 58.14 1x5n h GLN 39 Cb 1.22 0.03 -0.40 0.00 0.08 0.00 0.00 27.48 28.41 1x5n h GLN 39 CO 0.09 0.94 -1.09 1.17 0.09 0.00 0.00 178.83 180.03 1x5n n LYS 40 N -3.51 1.29 -2.53 0.06 4.81 -1.14 -5.11 118.16 112.03 1x5n n LYS 40 Ca -0.02 -3.60 -0.36 0.00 -0.87 0.00 0.00 58.31 53.46 1x5n n LYS 40 Cb 0.86 -1.72 -0.04 0.00 0.02 0.00 0.00 35.03 34.16 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 -2.36 4.11 0.00 1.64 0.04 0.16 -2.79 135.00 135.80 1x5n s PRO 41 Ca 0.40 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1x5n s PRO 41 Cb 0.30 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1x5n s PRO 41 CO -0.09 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1x5n n GLY 42 N 0.27 -0.63 3.13 0.56 0.00 -1.26 -4.83 105.19 102.43 1x5n n GLY 42 Ca 0.06 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.88 2.58 -0.02 -0.61 -1.09 -1.26 -2.11 121.20 115.81 1x5n s ILE 43 Ca 0.00 -1.40 0.06 0.00 -2.23 0.00 0.00 60.65 57.08 1x5n s ILE 43 Cb 0.00 -2.44 -0.02 0.00 -1.58 0.00 0.00 42.46 38.42 1x5n s ILE 43 CO 0.00 0.02 -0.21 -0.36 -1.23 0.00 0.00 174.94 173.16 1x5n s PHE 44 N 1.20 1.85 0.29 3.97 0.40 0.19 0.20 117.98 126.08 1x5n s PHE 44 Ca -0.05 -0.35 -0.29 0.00 -0.60 0.00 0.00 56.93 55.64 1x5n s PHE 44 Cb -0.19 -1.19 -0.10 0.00 0.51 0.00 0.00 43.02 42.05 1x5n s PHE 44 CO -0.04 -0.03 1.33 0.42 0.70 0.00 0.00 175.22 177.60 1x5n s ILE 45 N -0.49 2.81 -0.24 0.64 1.01 -1.16 0.52 121.20 124.30 1x5n s ILE 45 Ca 0.08 0.76 0.06 0.00 0.00 0.00 0.00 60.65 61.55 1x5n s ILE 45 Cb -0.08 -3.49 -0.19 0.00 0.01 0.00 0.00 42.46 38.72 1x5n s ILE 45 CO -0.01 0.16 -0.15 -1.54 0.00 0.00 0.00 174.94 173.40 1x5n n SER 46 N 1.41 1.55 -3.84 3.58 3.41 0.39 -3.10 113.62 117.02 1x5n n SER 46 Ca 0.02 -0.10 -0.10 0.00 -0.26 0.00 0.00 58.87 58.44 1x5n n SER 46 Cb 0.42 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.27 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 -2.50 0.14 -0.13 7.33 5.65 -1.18 -4.89 115.29 119.72 1x5n s HIS 47 Ca -0.28 -0.50 -0.04 0.00 0.25 0.00 0.00 55.06 54.49 1x5n s HIS 47 Cb 0.08 0.13 0.06 0.00 -1.18 0.00 0.00 32.58 31.67 1x5n s HIS 47 CO 0.64 -0.77 0.22 0.08 -0.65 0.00 0.00 174.74 174.26 1x5n s VAL 48 N -3.91 -0.35 0.72 0.89 1.01 -1.26 -1.09 120.40 116.41 1x5n s VAL 48 Ca 0.12 0.24 -0.14 0.00 0.00 0.00 0.00 61.98 62.20 1x5n s VAL 48 Cb 0.02 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 36.00 1x5n s VAL 48 CO -0.03 0.07 1.13 -0.54 0.00 0.00 0.00 175.10 175.73 1x5n s LYS 49 N 2.36 2.41 -0.00 2.72 1.02 -0.95 -4.96 119.74 122.34 1x5n s LYS 49 Ca 0.03 1.43 -0.30 0.00 0.02 0.00 0.00 55.97 57.14 1x5n s LYS 49 Cb -0.13 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1x5n s LYS 49 CO -0.08 -1.56 1.20 -1.25 -0.92 0.00 0.00 175.35 172.73 1x5n s PRO 50 N -4.28 4.39 -1.53 -1.68 0.04 -1.26 -2.75 135.00 127.94 1x5n s PRO 50 Ca 0.67 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1x5n s PRO 50 Cb -0.22 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1x5n s PRO 50 CO 0.47 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.56 1x5n n GLY 51 N 3.29 1.47 0.00 0.56 0.00 -1.26 -4.98 105.19 104.27 1x5n n GLY 51 Ca 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.52 0.00 0.08 1.61 3.41 -1.11 -4.75 113.62 112.34 1x5n n SER 52 Ca -0.14 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.50 1x5n n SER 52 Cb 0.50 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 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 5.85 -1.92 -3.18 115.31 117.11 1x5n h LEU 53 Ca 0.00 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.40 1x5n h LEU 53 Cb 0.00 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1x5n h LEU 53 CO 0.00 0.43 -2.04 -1.54 -0.34 0.00 0.00 178.44 174.95 1x5n n SER 54 N -2.94 0.43 0.20 1.25 3.41 -1.26 -3.96 113.62 110.75 1x5n n SER 54 Ca -0.05 0.21 0.14 0.00 -0.26 0.00 0.00 58.87 58.91 1x5n n SER 54 Cb 0.75 0.49 0.54 0.00 -0.26 0.00 0.00 64.21 65.73 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 1.02 1.00 0.11 7.33 0.00 -1.78 0.47 119.26 127.41 1x5n h ALA 55 Ca -0.41 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.24 1x5n h ALA 55 Cb 2.11 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.90 1x5n h ALA 55 CO 0.05 0.00 -1.21 1.05 0.00 0.00 0.00 179.25 179.14 1x5n h GLU 56 N 0.00 0.23 0.00 0.00 4.11 -1.67 -3.22 114.58 114.03 1x5n h GLU 56 Ca 0.00 -0.39 -0.05 0.00 0.07 0.00 0.00 59.36 58.99 1x5n h GLU 56 Cb 0.51 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1x5n h GLU 56 CO 0.00 1.19 -0.33 -0.39 0.07 0.00 0.00 179.01 179.54 1x5n h VAL 57 N 0.06 0.34 0.00 -1.06 -1.51 -1.59 -3.47 116.25 109.02 1x5n h VAL 57 Ca -0.12 -1.49 0.00 0.00 -1.23 0.00 0.00 66.70 63.86 1x5n h VAL 57 Cb 1.94 2.12 0.00 0.00 -2.13 0.00 0.00 31.29 33.22 1x5n h VAL 57 CO 0.19 0.19 0.00 0.61 -1.23 0.00 0.00 177.57 177.34 1x5n n GLY 58 N 1.17 1.28 3.77 5.19 0.00 -0.67 -5.07 105.19 110.86 1x5n n GLY 58 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 4.18 0.25 0.99 1.43 0.16 -4.98 118.68 120.70 1x5n s LEU 59 Ca 0.00 2.27 0.02 0.00 -1.03 0.00 0.00 54.13 55.38 1x5n s LEU 59 Cb 0.00 -4.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.12 1x5n s LEU 59 CO 0.00 -0.63 0.19 -1.61 0.23 0.00 0.00 176.35 174.52 1x5n s GLU 60 N -2.34 1.40 0.09 1.70 2.02 -1.26 -4.44 118.70 115.87 1x5n s GLU 60 Ca 0.57 -1.76 -0.31 0.00 0.02 0.00 0.00 54.97 53.50 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 -0.48 1.67 0.42 0.02 0.00 0.00 175.26 177.24 1x5n s ILE 61 N -3.91 2.89 0.00 -1.63 1.01 -1.26 -2.41 121.20 115.89 1x5n s ILE 61 Ca 0.39 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.45 1x5n s ILE 61 Cb 0.05 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1x5n s ILE 61 CO 0.17 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1x5n n GLY 62 N 4.00 2.68 3.51 6.18 0.00 -1.18 -4.67 105.19 115.71 1x5n n GLY 62 Ca 0.16 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 0.23 -4.65 1.61 8.00 -1.01 -2.41 116.55 118.32 1x5n n ASP 63 Ca 0.00 -0.20 -0.42 0.00 0.71 0.00 0.00 54.79 54.88 1x5n n ASP 63 Cb 0.00 -0.96 -0.03 0.00 -0.02 0.00 0.00 41.12 40.10 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 8.41 4.22 -0.46 -1.24 0.74 -1.26 -3.01 119.66 127.06 1x5n s GLN 64 Ca 1.27 1.09 -0.28 0.00 0.05 0.00 0.00 55.36 57.49 1x5n s GLN 64 Cb -0.94 -3.64 0.01 0.00 1.10 0.00 0.00 33.01 29.54 1x5n s GLN 64 CO 0.45 -0.54 1.47 0.42 -0.55 0.00 0.00 175.29 176.55 1x5n s ILE 65 N 2.89 3.80 -0.12 -2.34 1.01 0.53 -3.64 121.20 123.33 1x5n s ILE 65 Ca 0.38 0.76 0.19 0.00 0.00 0.00 0.00 60.65 61.99 1x5n s ILE 65 Cb -0.15 -4.21 -0.23 0.00 0.01 0.00 0.00 42.46 37.87 1x5n s ILE 65 CO 0.07 -0.86 0.50 1.33 0.00 0.00 0.00 174.94 175.98 1x5n n VAL 66 N 7.05 0.80 -3.71 2.92 0.24 -0.81 -4.05 118.33 120.78 1x5n n VAL 66 Ca 0.16 -0.67 -0.12 0.00 -2.04 0.00 0.00 64.34 61.67 1x5n n VAL 66 Cb 0.48 -0.37 -0.07 0.00 -1.47 0.00 0.00 33.84 32.41 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 -3.03 0.87 -0.19 7.34 2.12 -1.16 -1.93 118.70 122.71 1x5n s GLU 67 Ca -0.07 -0.45 -0.08 0.00 0.36 0.00 0.00 54.97 54.73 1x5n s GLU 67 Cb 0.10 0.38 0.08 0.00 0.26 0.00 0.00 34.13 34.95 1x5n s GLU 67 CO 0.85 -0.29 0.43 0.08 -0.54 0.00 0.00 175.26 175.79 1x5n s VAL 68 N -2.55 -0.38 -1.10 3.70 1.01 -0.92 0.34 120.40 120.49 1x5n s VAL 68 Ca -0.05 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 1x5n s VAL 68 Cb -0.01 -0.66 0.08 0.00 0.00 0.00 0.00 36.38 35.80 1x5n s VAL 68 CO -0.03 0.05 0.37 -3.20 0.00 0.00 0.00 175.10 172.29 1x5n n ASN 69 N 4.91 -2.78 -0.88 3.32 2.85 0.43 0.19 115.26 123.30 1x5n n ASN 69 Ca -0.15 -0.32 -0.05 0.00 -0.11 0.00 0.00 54.58 53.95 1x5n n ASN 69 Cb 0.52 -2.36 0.01 0.00 1.24 0.00 0.00 39.78 39.19 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 -0.98 0.36 3.61 8.20 0.00 -1.26 -4.90 105.19 110.23 1x5n n GLY 70 Ca 0.00 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.63 3.65 -1.09 1.61 1.01 0.50 -5.04 120.40 118.41 1x5n s VAL 71 Ca 0.06 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 1x5n s VAL 71 Cb -0.03 -2.67 0.07 0.00 0.00 0.00 0.00 36.38 33.76 1x5n s VAL 71 CO 0.08 0.24 1.48 -0.62 0.00 0.00 0.00 175.10 176.27 1x5n s ASP 72 N -1.89 6.63 -0.13 3.32 -1.08 -1.26 -2.17 116.67 120.09 1x5n s ASP 72 Ca 0.21 -1.87 0.09 0.00 -0.52 0.00 0.00 52.55 50.46 1x5n s ASP 72 Cb -0.11 -2.54 0.50 0.00 -1.46 0.00 0.00 42.92 39.31 1x5n s ASP 72 CO 0.12 -1.32 1.28 0.49 0.52 0.00 0.00 175.17 176.26 1x5n n PHE 73 N 8.26 1.22 -0.02 -5.34 3.01 -0.81 -4.13 117.46 119.64 1x5n n PHE 73 Ca 0.36 -0.43 -0.17 0.00 1.01 0.00 0.00 57.45 58.22 1x5n n PHE 73 Cb 0.49 -0.32 -0.08 0.00 -0.01 0.00 0.00 39.48 39.56 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 2.50 0.76 -1.35 4.37 0.87 -1.73 -3.35 113.55 115.62 1x5n h SER 74 Ca 0.00 -0.65 -0.49 0.00 -1.23 0.00 0.00 61.79 59.42 1x5n h SER 74 Cb 1.33 -0.23 -0.41 0.00 -0.44 0.00 0.00 62.40 62.66 1x5n h SER 74 CO 0.27 1.29 -0.95 -0.46 -0.53 0.00 0.00 176.83 176.46 1x5n n ASN 75 N -4.09 3.12 -1.84 6.23 0.23 -1.26 -4.30 115.26 113.34 1x5n n ASN 75 Ca -0.08 -3.25 0.00 0.00 -0.53 0.00 0.00 54.58 50.72 1x5n n ASN 75 Cb 0.68 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 1x5n n ASN 75 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1x5n n LEU 76 N -0.26 0.00 -4.37 -4.53 4.77 -1.26 -5.09 117.00 106.27 1x5n n LEU 76 Ca 0.25 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.04 1x5n n LEU 76 Cb 0.72 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.70 1x5n n LEU 76 CO 0.30 -0.31 -0.27 -0.62 -1.33 0.00 0.00 177.39 175.16 1x5n s ASP 77 N -1.00 1.74 0.00 -1.43 2.15 -1.26 -4.86 116.67 112.01 1x5n s ASP 77 Ca 0.00 -1.37 0.16 0.00 0.43 0.00 0.00 52.55 51.78 1x5n s ASP 77 Cb 0.00 0.04 0.79 0.00 -0.30 0.00 0.00 42.92 43.45 1x5n s ASP 77 CO 0.00 -0.66 1.49 1.57 -0.17 0.00 0.00 175.17 177.40 1x5n n HIS 78 N -0.55 0.00 -0.07 -5.34 -0.00 -1.26 0.62 115.22 108.62 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 -0.35 -0.07 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 -1.35 0.81 0.08 1.57 5.02 -1.26 -4.07 118.16 118.95 1x5n n LYS 79 Ca 0.07 0.06 -0.18 0.00 -2.02 0.00 0.00 58.31 56.24 1x5n n LYS 79 Cb 0.15 -1.29 -0.10 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 0.52 0.00 1.97 5.08 -1.88 0.46 114.58 120.73 1x5n h GLU 80 Ca -0.32 -0.64 -0.08 0.00 -1.00 0.00 0.00 59.36 57.32 1x5n h GLU 80 Cb 1.55 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.99 1x5n h GLU 80 CO -0.03 1.26 -0.38 0.00 -1.00 0.00 0.00 179.01 178.86 1x5n h ALA 81 N 0.50 1.14 0.11 3.43 0.00 -0.07 0.57 119.26 124.94 1x5n h ALA 81 Ca -0.14 -0.35 -0.33 0.00 0.00 0.00 0.00 54.91 54.09 1x5n h ALA 81 Cb 1.77 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1x5n h ALA 81 CO 0.20 0.48 -1.79 0.28 0.00 0.00 0.00 179.25 178.42 1x5n h VAL 82 N 0.00 0.84 -0.68 0.00 2.07 -1.69 -2.56 116.25 114.24 1x5n h VAL 82 Ca -0.00 -2.55 -0.07 0.00 0.82 0.00 0.00 66.70 64.89 1x5n h VAL 82 Cb 0.79 2.59 -0.03 0.00 -1.52 0.00 0.00 31.29 33.12 1x5n h VAL 82 CO 0.05 0.79 0.15 -1.13 0.02 0.00 0.00 177.57 177.45 1x5n h ASN 83 N 0.06 1.04 0.49 0.57 -1.24 0.10 1.50 115.58 118.10 1x5n h ASN 83 Ca -0.34 -0.24 -0.18 0.00 0.71 0.00 0.00 56.30 56.25 1x5n h ASN 83 Cb 2.03 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 40.80 1x5n h ASN 83 CO 0.12 1.01 -0.77 0.58 -1.29 0.00 0.00 177.43 177.07 1x5n h VAL 84 N 1.02 1.45 -0.03 2.57 2.07 -1.01 0.21 116.25 122.52 1x5n h VAL 84 Ca 0.21 -2.37 -0.24 0.00 0.82 0.00 0.00 66.70 65.12 1x5n h VAL 84 Cb 0.38 2.28 0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1x5n h VAL 84 CO 0.00 0.69 -0.94 -0.07 0.02 0.00 0.00 177.57 177.28 1x5n h LEU 85 N 0.14 0.75 -0.43 2.57 3.38 -1.00 -2.93 115.31 117.79 1x5n h LEU 85 Ca -0.03 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1x5n h LEU 85 Cb 1.35 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1x5n h LEU 85 CO 0.12 1.37 -0.08 2.29 0.09 0.00 0.00 178.44 182.23 1x5n n LYS 86 N -3.83 1.04 0.04 1.13 2.85 0.51 -4.22 118.16 115.68 1x5n n LYS 86 Ca -0.08 -0.43 -0.03 0.00 -1.05 0.00 0.00 58.31 56.72 1x5n n LYS 86 Cb 0.83 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 33.70 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 1.05 -0.22 -3.92 -5.58 0.87 -0.38 -3.46 113.55 101.91 1x5n h SER 87 Ca 0.00 0.02 -0.23 0.00 -1.23 0.00 0.00 61.79 60.35 1x5n h SER 87 Cb 0.35 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 1x5n h SER 87 CO 0.00 -0.10 -0.15 -0.24 -0.53 0.00 0.00 176.83 175.81 1x5n n SER 88 N -2.80 2.26 -0.10 6.23 2.88 -1.26 -5.08 113.62 115.75 1x5n n SER 88 Ca -0.02 -1.78 -0.17 0.00 -1.33 0.00 0.00 58.87 55.58 1x5n n SER 88 Cb 0.07 0.09 -0.08 0.00 -0.75 0.00 0.00 64.21 63.54 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 -0.61 0.53 -3.01 -1.46 5.12 -1.26 -4.81 116.66 111.15 1x5n n ARG 89 Ca -0.06 0.53 -0.42 0.00 -1.93 0.00 0.00 57.85 55.98 1x5n n ARG 89 Cb 0.23 -1.71 -0.06 0.00 -1.16 0.00 0.00 32.46 29.77 1x5n n ARG 89 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1x5n s SER 90 N -6.52 6.48 0.04 0.55 1.04 -1.26 -0.25 113.70 113.78 1x5n s SER 90 Ca -0.25 0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.39 1x5n s SER 90 Cb 0.05 -2.37 -0.02 0.00 0.10 0.00 0.00 66.02 63.78 1x5n s SER 90 CO 0.46 -0.72 -0.10 -0.76 0.98 0.00 0.00 173.24 173.11 1x5n s LEU 91 N 3.00 2.20 -0.46 2.42 1.43 -0.79 -4.99 118.68 121.49 1x5n s LEU 91 Ca 0.29 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.83 1x5n s LEU 91 Cb -0.13 -0.32 0.11 0.00 0.03 0.00 0.00 46.19 45.88 1x5n s LEU 91 CO 0.17 -0.09 0.32 -0.89 0.23 0.00 0.00 176.35 176.09 1x5n s THR 92 N -1.06 4.19 -0.01 5.49 2.01 -1.26 -0.44 115.64 124.56 1x5n s THR 92 Ca -0.05 -1.71 -0.20 0.00 0.31 0.00 0.00 61.69 60.04 1x5n s THR 92 Cb -0.08 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 1x5n s THR 92 CO 0.01 -0.72 0.57 -0.63 -0.69 0.00 0.00 174.62 173.16 1x5n s ILE 93 N 1.37 4.94 -0.40 1.82 1.01 0.38 0.16 121.20 130.48 1x5n s ILE 93 Ca 0.05 1.18 -0.03 0.00 0.00 0.00 0.00 60.65 61.86 1x5n s ILE 93 Cb -0.25 -3.90 0.10 0.00 0.01 0.00 0.00 42.46 38.42 1x5n s ILE 93 CO -0.00 0.43 0.19 -0.44 0.00 0.00 0.00 174.94 175.11 1x5n s SER 94 N -0.23 5.24 0.41 3.58 0.01 0.15 0.14 113.70 123.01 1x5n s SER 94 Ca 0.30 -1.93 0.08 0.00 1.31 0.00 0.00 55.95 55.71 1x5n s SER 94 Cb -0.18 -1.83 0.01 0.00 0.21 0.00 0.00 66.02 64.23 1x5n s SER 94 CO 0.16 -0.52 0.54 0.27 0.41 0.00 0.00 173.24 174.11 1x5n s ILE 95 N 1.17 3.13 -0.34 1.44 -4.36 -0.84 -1.93 121.20 119.46 1x5n s ILE 95 Ca 0.07 -1.02 0.07 0.00 -0.26 0.00 0.00 60.65 59.50 1x5n s ILE 95 Cb -0.22 -3.06 0.48 0.00 1.25 0.00 0.00 42.46 40.91 1x5n s ILE 95 CO -0.04 -0.02 1.44 0.52 0.24 0.00 0.00 174.94 177.08 1x5n n VAL 96 N -1.80 2.68 -2.98 8.37 0.31 -1.24 -0.02 118.33 123.66 1x5n n VAL 96 Ca 0.07 -3.33 -0.01 0.00 -0.01 0.00 0.00 64.34 61.05 1x5n n VAL 96 Cb 0.59 -0.72 -0.01 0.00 -0.91 0.00 0.00 33.84 32.80 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 -0.96 -2.23 -3.96 3.52 0.00 -1.26 -3.44 120.51 112.18 1x5n n ALA 97 Ca 0.40 0.50 -0.42 0.00 0.00 0.00 0.00 53.44 53.92 1x5n n ALA 97 Cb 0.93 -1.31 0.03 0.00 0.00 0.00 0.00 19.45 19.10 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 1.66 -2.58 0.23 0.00 0.00 -1.26 -4.85 120.51 113.71 1x5n n ALA 98 Ca -0.07 -0.48 -0.09 0.00 0.00 0.00 0.00 53.44 52.80 1x5n n ALA 98 Cb 0.28 -3.05 -0.04 0.00 0.00 0.00 0.00 19.45 16.64 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 1.38 -1.09 -1.71 0.00 0.00 -1.52 -3.31 119.26 113.01 1x5n h ALA 99 Ca -0.70 -0.13 -0.71 0.00 0.00 0.00 0.00 54.91 53.37 1x5n h ALA 99 Cb 1.39 0.22 -0.34 0.00 0.00 0.00 0.00 17.79 19.07 1x5n h ALA 99 CO 0.51 -1.04 0.29 0.41 0.00 0.00 0.00 179.25 179.42 1x5n n GLY 100 N -1.08 5.91 0.19 0.00 0.00 -1.01 -4.72 105.19 104.47 1x5n n GLY 100 Ca -0.07 -2.67 0.14 0.00 0.00 0.00 0.00 46.02 43.41 1x5n n GLY 100 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1x5n h ARG 101 N 3.65 0.00 -0.21 1.61 0.11 -1.71 -2.97 114.38 114.87 1x5n h ARG 101 Ca 0.36 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.33 1x5n h ARG 101 Cb 0.40 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.47 1x5n h ARG 101 CO 1.02 0.00 -0.36 1.05 0.10 0.00 0.00 179.97 181.79 1x5n h GLU 102 N 0.00 0.44 -1.08 0.08 4.11 -1.90 -2.83 114.58 113.41 1x5n h GLU 102 Ca 0.00 -0.20 0.32 0.00 0.07 0.00 0.00 59.36 59.55 1x5n h GLU 102 Cb 0.64 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.75 1x5n h GLU 102 CO 0.00 0.74 0.66 -0.07 0.07 0.00 0.00 179.01 180.41 1x5n h LEU 103 N 0.38 0.46 -5.08 3.06 3.38 -1.92 0.32 115.31 115.90 1x5n h LEU 103 Ca 0.04 0.15 -0.72 0.00 0.09 0.00 0.00 57.88 57.44 1x5n h LEU 103 Cb 0.80 0.09 -0.32 0.00 0.09 0.00 0.00 40.66 41.32 1x5n h LEU 103 CO 0.06 -0.07 0.47 0.49 0.09 0.00 0.00 178.44 179.49 1x5n n PHE 104 N -4.85 3.14 -1.73 1.13 3.72 -1.07 -5.03 117.46 112.77 1x5n n PHE 104 Ca 0.31 -2.69 -0.42 0.00 -0.05 0.00 0.00 57.45 54.60 1x5n n PHE 104 Cb 1.03 -0.85 -0.02 0.00 -0.94 0.00 0.00 39.48 38.69 1x5n n PHE 104 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1x5n n MET 105 N -0.43 2.75 -1.56 -1.08 2.81 0.11 -4.91 117.12 114.81 1x5n n MET 105 Ca 0.47 0.99 -0.38 0.00 -1.81 0.00 0.00 57.70 56.97 1x5n n MET 105 Cb 0.36 -2.81 0.05 0.00 -0.71 0.00 0.00 33.22 30.10 1x5n n MET 105 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1x5n n THR 106 N 3.26 3.13 0.00 2.03 5.66 -1.26 -4.98 114.28 122.12 1x5n n THR 106 Ca 0.13 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 1x5n n THR 106 Cb 0.36 -0.96 0.00 0.00 -1.55 0.00 0.00 70.33 68.18 1x5n n THR 106 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1x5n n ASP 107 N -0.26 0.00 -4.64 1.09 2.03 -1.26 -5.12 116.55 108.39 1x5n n ASP 107 Ca 0.13 0.00 -0.50 0.00 0.52 0.00 0.00 54.79 54.94 1x5n n ASP 107 Cb 0.47 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.82 1x5n n ASP 107 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1x5n n ARG 108 N -0.64 1.60 -1.19 -0.67 0.63 -1.26 -4.92 116.66 110.21 1x5n n ARG 108 Ca 0.00 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 1x5n n ARG 108 Cb 0.00 -2.29 0.00 0.00 0.45 0.00 0.00 32.46 30.62 1x5n n ARG 108 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1x5n n SER 109 N 3.60 0.00 -2.98 6.15 2.88 -1.26 -5.05 113.62 116.96 1x5n n SER 109 Ca 0.19 -0.93 -0.12 0.00 -1.33 0.00 0.00 58.87 56.68 1x5n n SER 109 Cb 0.23 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.70 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 0.00 -1.09 3.57 0.46 0.00 -1.26 -4.81 105.19 102.05 1x5n n GLY 110 Ca 0.00 1.18 -0.35 0.00 0.00 0.00 0.00 46.02 46.85 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 -2.66 3.15 -0.10 1.61 0.04 -1.26 -4.71 135.00 131.08 1x5n s PRO 111 Ca 0.24 -1.03 -0.07 0.00 0.04 0.00 0.00 61.00 60.18 1x5n s PRO 111 Cb -0.06 -5.28 -0.02 0.00 0.04 0.00 0.00 34.50 29.18 1x5n s PRO 111 CO 0.79 -2.89 -0.14 0.45 0.04 0.00 0.00 177.00 175.24 1x5n n SER 112 N 11.35 1.17 -4.70 6.66 2.88 -1.26 -5.00 113.62 124.71 1x5n n SER 112 Ca 0.40 0.43 -0.25 0.00 -1.33 0.00 0.00 58.87 58.12 1x5n n SER 112 Cb 0.48 -0.72 -0.07 0.00 -0.75 0.00 0.00 64.21 63.16 1x5n n SER 112 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5n s SER 113 N -4.99 4.91 0.00 -3.46 0.01 -1.26 -5.33 113.70 103.59 1x5n s SER 113 Ca -0.11 -0.41 0.27 0.00 1.31 0.00 0.00 55.95 57.01 1x5n s SER 113 Cb 0.02 -1.08 0.82 0.00 0.21 0.00 0.00 66.02 65.98 1x5n s SER 113 CO 0.17 0.04 1.61 0.61 0.41 0.00 0.00 173.24 176.09