#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5n n SER 2 N 0.00 -7.70 -1.17 1.61 2.88 -1.26 -5.02 113.62 102.96 1x5n n SER 2 Ca 0.00 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 1x5n n SER 2 Cb 0.00 -4.34 0.00 0.00 -0.75 0.00 0.00 64.21 59.12 1x5n n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x5n n SER 3 N -4.15 -6.34 -3.67 -3.46 2.88 -1.26 -5.10 113.62 92.52 1x5n n SER 3 Ca -0.05 1.35 0.04 0.00 -1.33 0.00 0.00 58.87 58.88 1x5n n SER 3 Cb 0.62 -3.51 0.00 0.00 -0.75 0.00 0.00 64.21 60.57 1x5n n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5n s GLY 4 N -4.61 -0.42 0.13 0.46 0.00 -1.26 -5.19 107.32 96.44 1x5n s GLY 4 Ca 0.00 0.72 -0.07 0.00 0.00 0.00 0.00 44.72 45.37 1x5n s GLY 4 CO 0.00 1.85 0.20 -0.56 0.00 0.00 0.00 173.10 174.60 1x5n s SER 5 N -3.24 0.13 -0.19 1.64 0.01 -1.26 -5.05 113.70 105.73 1x5n s SER 5 Ca 0.19 -0.87 0.12 0.00 1.31 0.00 0.00 55.95 56.71 1x5n s SER 5 Cb 0.05 0.37 0.42 0.00 0.21 0.00 0.00 66.02 67.08 1x5n s SER 5 CO -0.05 -0.81 1.21 -1.54 0.41 0.00 0.00 173.24 172.46 1x5n n SER 6 N -0.14 1.73 0.00 2.44 3.41 -1.26 -5.03 113.62 114.78 1x5n n SER 6 Ca -0.10 -3.73 0.00 0.00 -0.26 0.00 0.00 58.87 54.79 1x5n n SER 6 Cb 0.63 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1x5n n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5n n GLY 7 N -0.96 4.14 3.15 5.00 0.00 -1.26 -5.15 105.19 110.11 1x5n n GLY 7 Ca 0.18 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 2.73 0.66 1.61 0.15 -1.26 -5.13 113.70 112.47 1x5n s SER 8 Ca 0.00 -0.50 -0.12 0.00 0.70 0.00 0.00 55.95 56.03 1x5n s SER 8 Cb 0.00 -1.25 -0.01 0.00 -1.71 0.00 0.00 66.02 63.05 1x5n s SER 8 CO 0.00 0.10 1.06 -2.16 1.20 0.00 0.00 173.24 173.43 1x5n s PRO 9 N 0.60 3.08 -0.32 5.44 0.04 -1.26 -5.06 135.00 137.52 1x5n s PRO 9 Ca -0.14 1.02 -0.02 0.00 0.04 0.00 0.00 61.00 61.90 1x5n s PRO 9 Cb -0.17 -2.01 0.19 0.00 0.04 0.00 0.00 34.50 32.56 1x5n s PRO 9 CO 0.04 -0.99 0.83 0.20 0.04 0.00 0.00 177.00 177.12 1x5n s GLY 10 N -3.51 -1.20 0.27 0.56 0.00 -1.26 -5.02 107.32 97.16 1x5n s GLY 10 Ca 0.59 1.31 0.00 0.00 0.00 0.00 0.00 44.72 46.63 1x5n s GLY 10 CO 0.49 3.93 0.00 -2.01 0.00 0.00 0.00 173.10 175.51 1x5n n ASN 11 N 4.87 -2.46 -3.10 1.64 2.85 -1.26 -5.11 115.26 112.69 1x5n n ASN 11 Ca 0.08 0.59 -0.00 0.00 -0.11 0.00 0.00 54.58 55.14 1x5n n ASN 11 Cb 0.57 2.47 -0.00 0.00 1.24 0.00 0.00 39.78 44.06 1x5n n ASN 11 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1x5n n ARG 12 N -3.08 -0.96 -3.89 1.20 1.74 -1.26 -4.93 116.66 105.47 1x5n n ARG 12 Ca 0.00 1.16 -0.35 0.00 -0.77 0.00 0.00 57.85 57.89 1x5n n ARG 12 Cb 0.00 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 29.81 1x5n n ARG 12 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1x5n s GLU 13 N -0.81 2.60 0.06 5.56 -6.30 -1.26 -4.77 118.70 113.78 1x5n s GLU 13 Ca -0.01 -1.16 0.00 0.00 -2.50 0.00 0.00 54.97 51.30 1x5n s GLU 13 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 34.13 30.95 1x5n s GLU 13 CO 0.10 -0.56 0.00 -1.71 0.02 0.00 0.00 175.26 173.11 1x5n n ASN 14 N 4.67 -0.56 -4.59 -1.70 2.85 -1.26 -5.15 115.26 109.53 1x5n n ASN 14 Ca -0.14 0.36 -0.29 0.00 -0.11 0.00 0.00 54.58 54.41 1x5n n ASN 14 Cb 0.45 0.80 0.19 0.00 1.24 0.00 0.00 39.78 42.45 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 -1.62 0.12 -0.13 1.20 1.02 -1.26 -4.55 119.74 114.53 1x5n s LYS 15 Ca 0.00 0.45 -0.01 0.00 0.02 0.00 0.00 55.97 56.43 1x5n s LYS 15 Cb 0.00 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.61 1x5n s LYS 15 CO 0.00 -2.92 0.02 0.39 -0.92 0.00 0.00 175.35 171.92 1x5n n GLU 16 N -4.30 -1.88 -4.09 1.68 1.02 -1.24 -4.96 120.64 106.86 1x5n n GLU 16 Ca 0.05 1.76 -0.27 0.00 -0.02 0.00 0.00 57.16 58.69 1x5n n GLU 16 Cb 0.57 -2.87 -0.06 0.00 -0.02 0.00 0.00 31.44 29.07 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 -1.10 2.85 -0.31 3.49 -2.85 0.24 -4.96 119.74 117.10 1x5n s LYS 17 Ca -0.02 -0.88 -0.07 0.00 -1.00 0.00 0.00 55.97 54.00 1x5n s LYS 17 Cb 0.00 -2.63 0.01 0.00 -2.06 0.00 0.00 37.83 33.16 1x5n s LYS 17 CO 0.35 0.49 0.10 0.21 0.10 0.00 0.00 175.35 176.60 1x5n s LYS 18 N -3.03 3.05 -0.09 1.78 2.36 -1.26 -2.14 119.74 120.41 1x5n s LYS 18 Ca 0.30 -0.89 0.03 0.00 -2.55 0.00 0.00 55.97 52.87 1x5n s LYS 18 Cb -0.10 -3.44 -0.01 0.00 -1.05 0.00 0.00 37.83 33.23 1x5n s LYS 18 CO 0.23 -0.48 -0.21 0.14 1.55 0.00 0.00 175.35 176.58 1x5n s VAL 19 N 1.51 2.39 -0.33 4.02 -7.23 0.37 -5.01 120.40 116.11 1x5n s VAL 19 Ca 0.02 -0.92 -0.08 0.00 -1.81 0.00 0.00 61.98 59.20 1x5n s VAL 19 Cb -0.18 -1.93 0.02 0.00 0.56 0.00 0.00 36.38 34.86 1x5n s VAL 19 CO 0.03 0.55 0.13 0.12 -0.31 0.00 0.00 175.10 175.63 1x5n s PHE 20 N 0.16 3.21 -0.36 2.82 2.19 -1.26 0.59 117.98 125.33 1x5n s PHE 20 Ca -0.11 -1.09 -0.12 0.00 0.33 0.00 0.00 56.93 55.94 1x5n s PHE 20 Cb -0.16 -2.32 0.01 0.00 -1.31 0.00 0.00 43.02 39.24 1x5n s PHE 20 CO 0.06 -0.64 0.21 0.42 1.83 0.00 0.00 175.22 177.11 1x5n s ILE 21 N 1.49 4.77 -0.18 3.12 -1.09 0.73 -4.94 121.20 125.10 1x5n s ILE 21 Ca 0.01 -0.65 -0.01 0.00 -2.23 0.00 0.00 60.65 57.76 1x5n s ILE 21 Cb -0.18 -3.59 -0.00 0.00 -1.58 0.00 0.00 42.46 37.11 1x5n s ILE 21 CO 0.04 -0.15 -0.11 -0.55 -1.23 0.00 0.00 174.94 172.94 1x5n s SER 22 N 1.61 3.91 -1.31 3.58 0.15 -1.24 -0.68 113.70 119.72 1x5n s SER 22 Ca 0.04 -0.44 -0.08 0.00 0.70 0.00 0.00 55.95 56.16 1x5n s SER 22 Cb -0.18 -1.63 -0.05 0.00 -1.71 0.00 0.00 66.02 62.44 1x5n s SER 22 CO 0.08 0.04 2.89 0.18 1.20 0.00 0.00 173.24 177.63 1x5n n LEU 23 N 4.38 8.08 -4.39 3.45 7.99 -0.81 -4.86 117.00 130.84 1x5n n LEU 23 Ca -0.19 -4.34 -0.20 0.00 -0.01 0.00 0.00 56.01 51.27 1x5n n LEU 23 Cb 0.51 -1.48 -0.10 0.00 -0.11 0.00 0.00 43.42 42.24 1x5n n LEU 23 CO 0.29 2.01 -0.39 0.68 -1.51 0.00 0.00 177.39 178.48 1x5n s VAL 24 N 0.99 1.62 0.27 4.08 -7.23 -1.26 -4.89 120.40 113.99 1x5n s VAL 24 Ca 0.65 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1x5n s VAL 24 Cb 0.21 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.84 1x5n s VAL 24 CO -0.07 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 174.93 1x5n n GLY 25 N -0.50 -1.49 3.52 2.32 0.00 -1.26 -3.81 105.19 103.97 1x5n n GLY 25 Ca -0.06 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 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 -4.34 2.03 -3.39 1.61 7.64 -1.26 -4.67 113.62 111.25 1x5n n SER 26 Ca 0.00 -2.59 0.02 0.00 1.01 0.00 0.00 58.87 57.31 1x5n n SER 26 Cb 0.63 -1.51 -0.05 0.00 -1.01 0.00 0.00 64.21 62.27 1x5n n SER 26 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1x5n s ARG 27 N 7.24 0.20 -0.01 1.43 3.52 -1.25 -5.10 118.95 124.99 1x5n s ARG 27 Ca 0.73 0.47 0.02 0.00 -0.13 0.00 0.00 55.73 56.82 1x5n s ARG 27 Cb 0.01 0.24 -0.00 0.00 -1.56 0.00 0.00 34.95 33.64 1x5n s ARG 27 CO 0.19 -0.06 -0.07 0.20 -0.81 0.00 0.00 175.30 174.74 1x5n s GLY 28 N 2.07 0.39 -0.00 8.12 0.00 -1.26 -4.10 107.32 112.53 1x5n s GLY 28 Ca -0.03 -0.29 -0.40 0.00 0.00 0.00 0.00 44.72 44.01 1x5n s GLY 28 CO -0.16 -0.16 1.07 -0.10 0.00 0.00 0.00 173.10 173.74 1x5n n LEU 29 N 3.07 -0.00 -1.76 0.66 7.94 -1.26 -3.35 117.00 122.30 1x5n n LEU 29 Ca -0.15 1.15 -0.05 0.00 -1.11 0.00 0.00 56.01 55.85 1x5n n LEU 29 Cb 0.56 -0.91 0.08 0.00 0.53 0.00 0.00 43.42 43.67 1x5n n LEU 29 CO 0.25 -1.90 0.16 0.61 -1.11 0.00 0.00 177.39 175.40 1x5n n GLY 30 N 1.50 3.94 3.27 -3.96 0.00 -1.26 -4.80 105.19 103.88 1x5n n GLY 30 Ca 0.20 -1.59 -0.23 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.81 5.00 0.12 0.00 0.15 0.45 -4.95 113.70 112.66 1x5n s SER 32 Ca 0.05 0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.81 1x5n s SER 32 Cb -0.10 -1.34 -0.04 0.00 -1.71 0.00 0.00 66.02 62.83 1x5n s SER 32 CO 0.04 0.36 0.12 0.27 1.20 0.00 0.00 173.24 175.23 1x5n s ILE 33 N -0.88 4.59 0.32 6.45 -4.36 -1.26 0.17 121.20 126.24 1x5n s ILE 33 Ca 0.14 -0.88 0.04 0.00 -0.26 0.00 0.00 60.65 59.69 1x5n s ILE 33 Cb -0.11 -3.28 -0.06 0.00 1.25 0.00 0.00 42.46 40.26 1x5n s ILE 33 CO 0.03 0.02 0.05 -0.94 0.24 0.00 0.00 174.94 174.33 1x5n s SER 34 N -2.74 2.42 -0.05 4.36 1.04 0.35 -4.73 113.70 114.34 1x5n s SER 34 Ca 0.30 -1.37 -0.02 0.00 0.48 0.00 0.00 55.95 55.35 1x5n s SER 34 Cb -0.11 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 1x5n s SER 34 CO 0.23 -0.59 0.05 -0.94 0.98 0.00 0.00 173.24 172.97 1x5n s SER 35 N -3.49 5.55 0.33 7.02 1.04 -1.26 -2.48 113.70 120.41 1x5n s SER 35 Ca 0.36 0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.99 1x5n s SER 35 Cb 0.09 -1.60 -0.02 0.00 0.10 0.00 0.00 66.02 64.58 1x5n s SER 35 CO 0.15 0.34 0.50 -0.83 0.98 0.00 0.00 173.24 174.38 1x5n s GLY 36 N -1.28 1.38 0.32 7.32 0.00 -1.11 -4.96 107.32 108.99 1x5n s GLY 36 Ca 0.18 -1.11 -0.05 0.00 0.00 0.00 0.00 44.72 43.74 1x5n s GLY 36 CO 0.07 -1.05 0.35 -1.55 0.00 0.00 0.00 173.10 170.93 1x5n n PRO 37 N -1.71 -1.00 0.14 2.90 -0.04 -1.08 -4.46 135.00 129.76 1x5n n PRO 37 Ca -0.04 -0.55 -0.01 0.00 -0.04 0.00 0.00 63.50 62.86 1x5n n PRO 37 Cb 0.57 -0.43 0.19 0.00 -0.04 0.00 0.00 33.50 33.79 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 -1.54 1.41 0.00 0.52 6.09 -1.99 0.66 117.51 122.66 1x5n h ILE 38 Ca -0.12 -1.98 -0.17 0.00 -1.37 0.00 0.00 64.86 61.23 1x5n h ILE 38 Cb 0.35 2.06 -0.02 0.00 0.47 0.00 0.00 36.82 39.68 1x5n h ILE 38 CO 0.08 0.57 -0.79 0.06 -3.07 0.00 0.00 178.15 175.00 1x5n h GLN 39 N 0.02 0.00 -2.02 2.19 3.07 -2.05 -3.36 115.11 112.96 1x5n h GLN 39 Ca -0.01 0.00 -0.51 0.00 0.09 0.00 0.00 58.65 58.23 1x5n h GLN 39 Cb 1.03 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.19 1x5n h GLN 39 CO 0.08 0.79 -1.15 1.17 0.09 0.00 0.00 178.83 179.81 1x5n n LYS 40 N -3.42 1.03 -2.53 0.06 4.81 -1.06 -5.11 118.16 111.94 1x5n n LYS 40 Ca 0.00 -3.43 -0.37 0.00 -0.87 0.00 0.00 58.31 53.65 1x5n n LYS 40 Cb 0.81 -1.62 -0.04 0.00 0.02 0.00 0.00 35.03 34.20 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 -2.19 4.22 0.00 1.64 0.04 0.23 -2.63 135.00 136.32 1x5n s PRO 41 Ca 0.39 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1x5n s PRO 41 Cb 0.30 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1x5n s PRO 41 CO -0.09 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1x5n n GLY 42 N 0.47 0.17 2.98 0.56 0.00 -1.26 -4.75 105.19 103.37 1x5n n GLY 42 Ca 0.04 -1.43 -0.28 0.00 0.00 0.00 0.00 46.02 44.35 1x5n n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5n s ILE 43 N -3.11 1.33 0.05 -0.61 -1.09 -1.26 -2.74 121.20 113.77 1x5n s ILE 43 Ca 0.00 -0.50 0.06 0.00 -2.23 0.00 0.00 60.65 57.98 1x5n s ILE 43 Cb 0.00 -1.27 -0.02 0.00 -1.58 0.00 0.00 42.46 39.58 1x5n s ILE 43 CO 0.00 0.42 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.60 1x5n s PHE 44 N 1.43 1.40 0.27 3.97 0.40 -1.04 0.15 117.98 124.57 1x5n s PHE 44 Ca 0.02 -0.37 -0.29 0.00 -0.60 0.00 0.00 56.93 55.68 1x5n s PHE 44 Cb -0.13 -0.82 -0.09 0.00 0.51 0.00 0.00 43.02 42.48 1x5n s PHE 44 CO -0.07 0.06 1.21 0.42 0.70 0.00 0.00 175.22 177.54 1x5n s ILE 45 N -0.91 3.21 -0.18 0.64 1.01 -1.13 0.13 121.20 123.97 1x5n s ILE 45 Ca 0.03 1.15 0.05 0.00 0.00 0.00 0.00 60.65 61.89 1x5n s ILE 45 Cb -0.08 -3.73 -0.15 0.00 0.01 0.00 0.00 42.46 38.50 1x5n s ILE 45 CO 0.02 0.25 -0.10 -1.54 0.00 0.00 0.00 174.94 173.56 1x5n n SER 46 N 1.48 2.05 -3.65 3.58 3.41 0.45 -3.10 113.62 117.84 1x5n n SER 46 Ca 0.01 -0.07 -0.15 0.00 -0.26 0.00 0.00 58.87 58.40 1x5n n SER 46 Cb 0.43 0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.38 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 -2.39 -0.47 -0.18 7.33 5.65 -1.15 -4.87 115.29 119.22 1x5n s HIS 47 Ca -0.20 0.89 -0.07 0.00 0.25 0.00 0.00 55.06 55.93 1x5n s HIS 47 Cb 0.06 0.24 0.08 0.00 -1.18 0.00 0.00 32.58 31.78 1x5n s HIS 47 CO 0.51 -0.45 0.38 0.54 -0.65 0.00 0.00 174.74 175.08 1x5n s VAL 48 N -0.87 -0.49 0.73 0.89 0.11 -1.26 0.17 120.40 119.68 1x5n s VAL 48 Ca -0.09 0.18 -0.13 0.00 -2.93 0.00 0.00 61.98 59.00 1x5n s VAL 48 Cb -0.03 -0.61 0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1x5n s VAL 48 CO 0.06 0.07 1.12 -0.54 -3.33 0.00 0.00 175.10 172.48 1x5n s LYS 49 N 2.35 2.36 0.45 1.54 1.02 -0.55 -4.93 119.74 121.97 1x5n s LYS 49 Ca -0.03 1.39 0.25 0.00 0.02 0.00 0.00 55.97 57.61 1x5n s LYS 49 Cb -0.11 -1.89 0.75 0.00 -0.52 0.00 0.00 37.83 36.05 1x5n s LYS 49 CO -0.12 -1.60 1.75 -1.00 -0.92 0.00 0.00 175.35 173.47 1x5n h PRO 50 N -0.57 0.00 -1.82 -1.68 0.13 -1.97 -3.27 132.00 122.83 1x5n h PRO 50 Ca -0.45 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.07 1x5n h PRO 50 Cb 1.25 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.97 1x5n h PRO 50 CO 0.51 0.13 -0.55 0.41 -0.23 0.00 0.00 178.00 178.27 1x5n n GLY 51 N 0.57 5.86 3.62 1.56 0.00 -1.26 -4.49 105.19 111.05 1x5n n GLY 51 Ca 0.02 -2.76 -0.32 0.00 0.00 0.00 0.00 46.02 42.96 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 -0.40 3.33 0.00 1.61 3.41 -1.23 -4.98 113.62 115.36 1x5n n SER 52 Ca 0.37 -3.22 0.09 0.00 -0.26 0.00 0.00 58.87 55.85 1x5n n SER 52 Cb 0.54 0.38 0.42 0.00 -0.26 0.00 0.00 64.21 65.28 1x5n n SER 52 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1x5n n LEU 53 N 0.00 0.00 -0.10 1.04 0.00 -1.21 -2.09 117.00 114.63 1x5n n LEU 53 Ca -0.21 0.49 -0.17 0.00 0.00 0.00 0.00 56.01 56.13 1x5n n LEU 53 Cb 0.64 -0.49 -0.06 0.00 0.00 0.00 0.00 43.42 43.51 1x5n n LEU 53 CO 0.34 -0.17 -0.83 -1.20 0.00 0.00 0.00 177.39 175.54 1x5n n SER 54 N -1.49 1.91 -0.34 1.96 7.64 -1.26 -4.21 113.62 117.83 1x5n n SER 54 Ca 0.05 0.41 0.13 0.00 1.01 0.00 0.00 58.87 60.47 1x5n n SER 54 Cb 0.22 -0.83 0.33 0.00 -1.01 0.00 0.00 64.21 62.93 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 -0.91 1.72 -0.46 -0.43 0.00 -1.66 0.75 119.26 118.27 1x5n h ALA 55 Ca -0.28 0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.82 1x5n h ALA 55 Cb 1.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1x5n h ALA 55 CO -0.17 -0.07 0.34 1.05 0.00 0.00 0.00 179.25 180.40 1x5n h GLU 56 N 0.75 0.00 0.00 0.00 4.11 -1.62 0.35 114.58 118.17 1x5n h GLU 56 Ca 0.56 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.90 1x5n h GLU 56 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1x5n h GLU 56 CO -0.34 0.00 -1.36 1.33 0.07 0.00 0.00 179.01 178.71 1x5n n VAL 57 N -4.33 0.80 0.00 -1.06 0.24 0.24 -4.97 118.33 109.24 1x5n n VAL 57 Ca 0.08 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 1x5n n VAL 57 Cb 0.54 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 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 1.30 1.06 3.79 7.63 0.00 0.12 -5.09 105.19 114.00 1x5n n GLY 58 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 4.53 0.14 0.99 1.43 -0.80 -4.96 118.68 120.00 1x5n s LEU 59 Ca 0.00 1.51 -0.00 0.00 -1.03 0.00 0.00 54.13 54.61 1x5n s LEU 59 Cb 0.00 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 1x5n s LEU 59 CO 0.00 0.19 0.03 -1.61 0.23 0.00 0.00 176.35 175.19 1x5n s GLU 60 N -1.31 0.95 0.15 1.70 2.02 -1.26 -4.45 118.70 116.50 1x5n s GLU 60 Ca 0.36 -1.45 -0.31 0.00 0.02 0.00 0.00 54.97 53.59 1x5n s GLU 60 Cb -0.21 0.09 -0.11 0.00 0.10 0.00 0.00 34.13 34.00 1x5n s GLU 60 CO 0.24 -0.21 1.81 -0.89 0.02 0.00 0.00 175.26 176.23 1x5n n ILE 61 N -0.12 0.26 0.00 -1.63 5.41 -1.26 -2.29 119.36 119.74 1x5n n ILE 61 Ca -0.07 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1x5n n ILE 61 Cb 0.63 -2.10 0.00 0.00 -0.71 0.00 0.00 39.64 37.46 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 4.17 2.10 3.53 7.39 0.00 -1.18 -4.69 105.19 116.51 1x5n n GLY 62 Ca 0.17 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 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 1.08 -4.67 1.61 8.00 -0.97 -1.71 116.55 119.89 1x5n n ASP 63 Ca 0.00 -0.33 -0.42 0.00 0.71 0.00 0.00 54.79 54.75 1x5n n ASP 63 Cb 0.00 -1.22 -0.03 0.00 -0.02 0.00 0.00 41.12 39.84 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 8.52 4.30 -0.45 -1.24 0.74 -1.26 -2.85 119.66 127.42 1x5n s GLN 64 Ca 1.16 1.12 -0.29 0.00 0.05 0.00 0.00 55.36 57.41 1x5n s GLN 64 Cb -0.67 -3.59 0.02 0.00 1.10 0.00 0.00 33.01 29.87 1x5n s GLN 64 CO 0.37 -0.39 1.31 0.42 -0.55 0.00 0.00 175.29 176.45 1x5n s ILE 65 N 2.35 4.00 -0.10 -2.34 1.01 0.40 -3.71 121.20 122.80 1x5n s ILE 65 Ca 0.40 1.00 0.20 0.00 0.00 0.00 0.00 60.65 62.25 1x5n s ILE 65 Cb -0.16 -4.38 -0.29 0.00 0.01 0.00 0.00 42.46 37.63 1x5n s ILE 65 CO 0.12 -0.90 0.29 1.33 0.00 0.00 0.00 174.94 175.78 1x5n n VAL 66 N 6.98 0.58 -3.75 2.92 0.24 -1.00 -4.04 118.33 120.25 1x5n n VAL 66 Ca 0.14 -0.63 -0.13 0.00 -2.04 0.00 0.00 64.34 61.68 1x5n n VAL 66 Cb 0.48 -0.20 -0.09 0.00 -1.47 0.00 0.00 33.84 32.57 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 0.64 -0.14 7.34 2.12 -1.17 -0.69 118.70 123.76 1x5n s GLU 67 Ca -0.09 -0.10 -0.06 0.00 0.36 0.00 0.00 54.97 55.09 1x5n s GLU 67 Cb 0.10 0.29 0.07 0.00 0.26 0.00 0.00 34.13 34.85 1x5n s GLU 67 CO 0.84 -0.17 0.30 0.08 -0.54 0.00 0.00 175.26 175.78 1x5n s VAL 68 N -1.13 -0.41 -1.08 3.70 1.01 -1.03 0.46 120.40 121.92 1x5n s VAL 68 Ca -0.12 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1x5n s VAL 68 Cb -0.05 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.84 1x5n s VAL 68 CO 0.04 0.10 0.00 -3.20 0.00 0.00 0.00 175.10 172.04 1x5n n ASN 69 N 5.19 -3.50 0.00 3.32 2.85 0.51 0.19 115.26 123.81 1x5n n ASN 69 Ca -0.10 0.24 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 1x5n n ASN 69 Cb 0.50 -3.10 0.00 0.00 1.24 0.00 0.00 39.78 38.43 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 -0.59 0.65 3.94 8.20 0.00 -1.26 -4.87 105.19 111.27 1x5n n GLY 70 Ca -0.13 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 1x5n n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5n s VAL 71 N -2.00 5.16 -0.85 1.61 1.01 0.50 -5.04 120.40 120.79 1x5n s VAL 71 Ca 0.00 -0.56 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 1x5n s VAL 71 Cb 0.00 -3.83 0.16 0.00 0.00 0.00 0.00 36.38 32.71 1x5n s VAL 71 CO 0.00 -0.42 0.95 -0.62 0.00 0.00 0.00 175.10 175.01 1x5n s ASP 72 N -3.82 6.62 -0.15 3.32 2.15 -1.26 -2.47 116.67 121.06 1x5n s ASP 72 Ca 0.38 -2.20 0.14 0.00 0.43 0.00 0.00 52.55 51.30 1x5n s ASP 72 Cb -0.10 -2.32 0.67 0.00 -0.30 0.00 0.00 42.92 40.87 1x5n s ASP 72 CO 0.33 -0.90 1.54 0.49 -0.17 0.00 0.00 175.17 176.46 1x5n n PHE 73 N 5.61 1.55 0.16 -5.34 3.01 0.13 -4.25 117.46 118.33 1x5n n PHE 73 Ca 0.16 -0.57 0.02 0.00 1.01 0.00 0.00 57.45 58.07 1x5n n PHE 73 Cb 0.48 -0.34 0.34 0.00 -0.01 0.00 0.00 39.48 39.94 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 3.48 0.06 -0.90 4.37 0.87 -1.66 -3.33 113.55 116.44 1x5n h SER 74 Ca 0.00 -0.02 -0.34 0.00 -1.23 0.00 0.00 61.79 60.19 1x5n h SER 74 Cb 1.53 -0.02 -0.29 0.00 -0.44 0.00 0.00 62.40 63.19 1x5n h SER 74 CO 0.32 0.42 -0.85 0.59 -0.53 0.00 0.00 176.83 176.78 1x5n n ASN 75 N -4.10 -0.35 -1.87 6.23 3.02 -1.26 -4.22 115.26 112.71 1x5n n ASN 75 Ca -0.02 -3.03 0.00 0.00 -0.03 0.00 0.00 54.58 51.50 1x5n n ASN 75 Cb 0.41 0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.94 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 0.07 0.00 -4.40 3.41 4.77 -1.25 -4.99 117.00 114.61 1x5n n LEU 76 Ca 0.12 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.90 1x5n n LEU 76 Cb 0.74 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.73 1x5n n LEU 76 CO 0.13 -0.35 -0.26 -0.62 -1.33 0.00 0.00 177.39 174.96 1x5n s ASP 77 N -1.00 1.92 0.00 -1.43 2.15 -1.26 -4.72 116.67 112.32 1x5n s ASP 77 Ca 0.00 -1.39 0.17 0.00 0.43 0.00 0.00 52.55 51.76 1x5n s ASP 77 Cb 0.00 0.04 0.85 0.00 -0.30 0.00 0.00 42.92 43.51 1x5n s ASP 77 CO 0.00 -0.67 1.53 1.57 -0.17 0.00 0.00 175.17 177.42 1x5n n HIS 78 N -0.61 0.00 -0.07 -5.34 -0.00 -1.26 0.67 115.22 108.62 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 -0.33 -0.07 0.00 -0.00 0.00 0.00 29.99 30.25 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 -1.33 0.86 0.10 1.57 4.76 -1.26 -4.01 118.16 118.86 1x5n n LYS 79 Ca 0.07 0.06 -0.21 0.00 -2.87 0.00 0.00 58.31 55.37 1x5n n LYS 79 Cb 0.15 -1.30 -0.13 0.00 -1.84 0.00 0.00 35.03 31.92 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 0.53 -0.03 1.97 4.39 -1.89 0.88 114.58 120.43 1x5n h GLU 80 Ca -0.33 -0.75 -0.11 0.00 0.34 0.00 0.00 59.36 58.52 1x5n h GLU 80 Cb 1.57 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 30.46 1x5n h GLU 80 CO -0.03 1.34 -0.48 0.00 -1.16 0.00 0.00 179.01 178.67 1x5n h ALA 81 N 0.36 1.14 0.05 3.43 0.00 -0.01 -0.65 119.26 123.57 1x5n h ALA 81 Ca -0.18 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 1x5n h ALA 81 Cb 1.94 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.66 1x5n h ALA 81 CO 0.23 0.62 -0.28 0.28 0.00 0.00 0.00 179.25 180.10 1x5n h VAL 82 N 0.07 1.69 -0.57 0.00 2.07 -1.69 -2.35 116.25 115.47 1x5n h VAL 82 Ca 0.00 -2.38 0.08 0.00 0.82 0.00 0.00 66.70 65.23 1x5n h VAL 82 Cb 0.88 3.28 -0.06 0.00 -1.52 0.00 0.00 31.29 33.87 1x5n h VAL 82 CO 0.07 0.64 0.22 -1.13 0.02 0.00 0.00 177.57 177.38 1x5n h ASN 83 N -0.76 0.23 0.59 0.57 -1.24 -0.77 1.79 115.58 115.99 1x5n h ASN 83 Ca -0.05 0.07 -0.04 0.00 0.71 0.00 0.00 56.30 56.99 1x5n h ASN 83 Cb 1.21 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 40.29 1x5n h ASN 83 CO 0.05 0.15 -0.19 0.58 -1.29 0.00 0.00 177.43 176.73 1x5n h VAL 84 N 0.41 0.64 0.24 2.57 2.07 -1.21 0.52 116.25 121.48 1x5n h VAL 84 Ca 0.28 -0.86 -0.33 0.00 0.82 0.00 0.00 66.70 66.61 1x5n h VAL 84 Cb 0.31 1.56 0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1x5n h VAL 84 CO -0.27 0.19 -1.48 -0.07 0.02 0.00 0.00 177.57 175.95 1x5n h LEU 85 N 0.00 0.78 -0.37 2.57 3.38 0.25 -3.20 115.31 118.73 1x5n h LEU 85 Ca -0.00 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1x5n h LEU 85 Cb 0.54 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1x5n h LEU 85 CO 0.03 1.71 -0.03 2.29 0.09 0.00 0.00 178.44 182.52 1x5n n LYS 86 N -3.73 1.10 0.11 1.13 2.85 0.57 -4.13 118.16 116.05 1x5n n LYS 86 Ca -0.18 -0.37 -0.06 0.00 -1.05 0.00 0.00 58.31 56.65 1x5n n LYS 86 Cb 1.08 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.93 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 0.90 -0.46 -2.90 -5.58 0.87 0.04 -3.46 113.55 102.96 1x5n h SER 87 Ca 0.00 0.03 -0.56 0.00 -1.23 0.00 0.00 61.79 60.04 1x5n h SER 87 Cb 0.27 0.15 -0.13 0.00 -0.44 0.00 0.00 62.40 62.24 1x5n h SER 87 CO 0.00 -0.23 -0.53 -0.55 -0.53 0.00 0.00 176.83 174.99 1x5n s SER 88 N -2.92 2.85 -0.12 6.23 0.15 -1.26 -5.09 113.70 113.54 1x5n s SER 88 Ca -0.06 -1.63 -0.07 0.00 0.70 0.00 0.00 55.95 54.90 1x5n s SER 88 Cb 0.01 0.41 -0.05 0.00 -1.71 0.00 0.00 66.02 64.69 1x5n s SER 88 CO 0.20 -0.87 0.08 0.03 1.20 0.00 0.00 173.24 173.87 1x5n h ARG 89 N 1.80 0.00 -6.64 5.44 2.47 -1.89 -3.44 114.38 112.12 1x5n h ARG 89 Ca -0.37 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 57.79 1x5n h ARG 89 Cb 1.27 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.53 1x5n h ARG 89 CO 0.60 0.18 0.97 -1.54 0.56 0.00 0.00 179.97 180.75 1x5n s SER 90 N -5.74 6.52 0.02 7.04 1.04 -1.26 -1.93 113.70 119.39 1x5n s SER 90 Ca -0.07 0.44 0.03 0.00 0.48 0.00 0.00 55.95 56.84 1x5n s SER 90 Cb 0.00 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.56 1x5n s SER 90 CO 0.16 -1.36 -0.10 -0.76 0.98 0.00 0.00 173.24 172.17 1x5n s LEU 91 N 4.82 2.11 -0.49 2.42 1.43 0.15 -4.98 118.68 124.14 1x5n s LEU 91 Ca 0.50 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 1x5n s LEU 91 Cb -0.08 -0.43 0.12 0.00 0.03 0.00 0.00 46.19 45.83 1x5n s LEU 91 CO 0.30 0.02 0.40 -0.89 0.23 0.00 0.00 176.35 176.41 1x5n s THR 92 N -0.61 4.65 -0.05 5.49 2.01 -1.26 -0.19 115.64 125.68 1x5n s THR 92 Ca 0.00 -1.58 -0.20 0.00 0.31 0.00 0.00 61.69 60.22 1x5n s THR 92 Cb -0.06 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 1x5n s THR 92 CO 0.00 -0.77 0.57 -0.63 -0.69 0.00 0.00 174.62 173.11 1x5n s ILE 93 N 1.48 5.02 -0.37 1.82 1.01 0.20 0.19 121.20 130.55 1x5n s ILE 93 Ca 0.04 1.18 -0.01 0.00 0.00 0.00 0.00 60.65 61.86 1x5n s ILE 93 Cb -0.27 -3.91 0.09 0.00 0.01 0.00 0.00 42.46 38.38 1x5n s ILE 93 CO 0.01 0.37 0.12 -0.44 0.00 0.00 0.00 174.94 175.00 1x5n s SER 94 N 0.20 5.06 0.37 3.58 0.01 0.17 -0.48 113.70 122.62 1x5n s SER 94 Ca 0.30 -1.84 0.07 0.00 1.31 0.00 0.00 55.95 55.80 1x5n s SER 94 Cb -0.17 -1.76 -0.02 0.00 0.21 0.00 0.00 66.02 64.28 1x5n s SER 94 CO 0.15 -0.43 0.38 0.27 0.41 0.00 0.00 173.24 174.02 1x5n s ILE 95 N 1.13 3.22 -0.38 1.44 -4.36 -0.91 -2.38 121.20 118.96 1x5n s ILE 95 Ca 0.05 -1.26 0.06 0.00 -0.26 0.00 0.00 60.65 59.24 1x5n s ILE 95 Cb -0.21 -3.12 0.61 0.00 1.25 0.00 0.00 42.46 40.99 1x5n s ILE 95 CO -0.04 -0.09 1.74 0.52 0.24 0.00 0.00 174.94 177.32 1x5n n VAL 96 N -1.53 2.95 -3.01 8.37 0.31 -1.24 0.80 118.33 124.97 1x5n n VAL 96 Ca 0.02 -2.22 -0.01 0.00 -0.01 0.00 0.00 64.34 62.12 1x5n n VAL 96 Cb 0.60 -0.41 -0.01 0.00 -0.91 0.00 0.00 33.84 33.12 1x5n n VAL 96 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5n n ALA 97 N -1.09 -2.09 -3.63 3.52 0.00 -1.26 -3.59 120.51 112.38 1x5n n ALA 97 Ca 0.49 0.38 -0.24 0.00 0.00 0.00 0.00 53.44 54.07 1x5n n ALA 97 Cb 1.42 -1.11 0.04 0.00 0.00 0.00 0.00 19.45 19.81 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 1.68 -2.27 0.00 0.00 0.00 -1.26 -4.90 120.51 113.77 1x5n n ALA 98 Ca -0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 53.44 53.24 1x5n n ALA 98 Cb 0.28 -3.28 -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 0.69 -0.86 -1.38 0.00 0.00 -1.53 -3.32 119.26 112.85 1x5n h ALA 99 Ca -0.63 -0.00 -0.78 0.00 0.00 0.00 0.00 54.91 53.50 1x5n h ALA 99 Cb 1.35 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.86 1x5n h ALA 99 CO 0.52 -0.86 0.82 0.41 0.00 0.00 0.00 179.25 180.14 1x5n n GLY 100 N -0.59 6.07 0.21 0.00 0.00 -0.70 -4.69 105.19 105.48 1x5n n GLY 100 Ca -0.00 -2.60 0.07 0.00 0.00 0.00 0.00 46.02 43.49 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 4.02 0.00 0.00 1.61 3.08 -1.71 -2.60 114.38 118.78 1x5n h ARG 101 Ca 0.49 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.48 1x5n h ARG 101 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1x5n h ARG 101 CO 1.14 0.30 -0.26 1.05 -1.07 0.00 0.00 179.97 181.14 1x5n h GLU 102 N 0.00 0.00 -0.96 0.04 4.11 -1.90 -2.48 114.58 113.38 1x5n h GLU 102 Ca -0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.36 59.57 1x5n h GLU 102 Cb 0.79 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.96 1x5n h GLU 102 CO 0.04 0.26 0.61 -0.07 0.07 0.00 0.00 179.01 179.92 1x5n h LEU 103 N 0.00 0.81 -5.36 3.06 3.38 -1.85 -1.68 115.31 113.67 1x5n h LEU 103 Ca -0.00 0.05 -0.74 0.00 0.09 0.00 0.00 57.88 57.28 1x5n h LEU 103 Cb 0.54 -0.11 -0.31 0.00 0.09 0.00 0.00 40.66 40.88 1x5n h LEU 103 CO 0.03 0.40 0.60 0.49 0.09 0.00 0.00 178.44 180.06 1x5n n PHE 104 N -4.62 3.10 -0.01 1.13 3.72 -0.93 -4.72 117.46 115.14 1x5n n PHE 104 Ca 0.19 -2.70 -0.04 0.00 -0.05 0.00 0.00 57.45 54.84 1x5n n PHE 104 Cb 0.43 -0.95 -0.03 0.00 -0.94 0.00 0.00 39.48 37.99 1x5n n PHE 104 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1x5n h MET 105 N 3.32 -0.10 -4.11 -1.08 2.86 -1.41 -3.50 114.93 110.90 1x5n h MET 105 Ca 0.47 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.12 1x5n h MET 105 Cb 0.30 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1x5n h MET 105 CO 1.20 0.12 -0.85 2.41 1.06 0.00 0.00 176.91 180.85 1x5n n THR 106 N -4.82-12.15 -4.97 2.22 -1.04 -1.26 -5.04 114.28 87.22 1x5n n THR 106 Ca -0.03 2.93 -0.27 0.00 -2.04 0.00 0.00 64.05 64.64 1x5n n THR 106 Cb 0.13 -5.38 -0.16 0.00 -1.82 0.00 0.00 70.33 63.11 1x5n n THR 106 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1x5n s ASP 107 N -0.48 2.34 -0.27 8.00 -4.77 -1.26 -5.12 116.67 115.10 1x5n s ASP 107 Ca 0.00 -0.36 -0.30 0.00 -3.30 0.00 0.00 52.55 48.59 1x5n s ASP 107 Cb 0.00 -0.27 0.18 0.00 -1.09 0.00 0.00 42.92 41.75 1x5n s ASP 107 CO 0.00 0.24 1.32 -0.13 0.70 0.00 0.00 175.17 177.31 1x5n s ARG 108 N -0.46 0.12 -0.12 2.11 0.52 -1.26 -5.16 118.95 114.70 1x5n s ARG 108 Ca 0.07 0.02 -0.10 0.00 -0.52 0.00 0.00 55.73 55.21 1x5n s ARG 108 Cb -0.08 0.05 -0.05 0.00 0.52 0.00 0.00 34.95 35.40 1x5n s ARG 108 CO -0.01 -0.04 0.21 -1.54 0.02 0.00 0.00 175.30 173.94 1x5n s SER 109 N -1.07 6.44 0.00 0.23 1.04 -1.26 -4.91 113.70 114.17 1x5n s SER 109 Ca 0.08 0.52 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1x5n s SER 109 Cb -0.01 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.99 1x5n s SER 109 CO -0.07 0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.08 1x5n n GLY 110 N 2.41 1.72 3.75 7.32 0.00 -1.26 -5.12 105.19 114.02 1x5n n GLY 110 Ca -0.17 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.12 4.64 -0.06 1.61 0.04 -1.26 -5.04 135.00 134.80 1x5n s PRO 111 Ca 0.00 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.78 1x5n s PRO 111 Cb 0.00 -3.22 0.04 0.00 0.04 0.00 0.00 34.50 31.36 1x5n s PRO 111 CO 0.00 0.19 0.13 0.45 0.04 0.00 0.00 177.00 177.81 1x5n s SER 112 N -0.69 0.29 -0.18 6.66 0.15 -1.26 -5.13 113.70 113.54 1x5n s SER 112 Ca 0.46 0.26 -0.15 0.00 0.70 0.00 0.00 55.95 57.21 1x5n s SER 112 Cb -0.31 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.12 1x5n s SER 112 CO 0.39 -0.19 0.36 -0.44 1.20 0.00 0.00 173.24 174.57 1x5n s SER 113 N 1.60 6.45 0.00 5.45 0.01 -1.26 -5.33 113.70 120.63 1x5n s SER 113 Ca -0.04 0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.75 1x5n s SER 113 Cb -0.12 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.89 1x5n s SER 113 CO -0.05 -0.01 0.20 0.61 0.41 0.00 0.00 173.24 174.40