#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 -0.06 0.00 1.61 0.01 -1.26 -5.19 113.70 108.81 1x5n s SER 2 Ca 0.00 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.37 1x5n s SER 2 Cb 0.00 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.83 1x5n s SER 2 CO 0.00 -0.02 0.00 -0.24 0.41 0.00 0.00 173.24 173.39 1x5n n SER 3 N 2.39 0.00 0.00 2.44 2.88 -1.26 -5.15 113.62 114.92 1x5n n SER 3 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1x5n n SER 3 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1x5n n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5n n GLY 4 N -0.04 1.41 0.00 0.46 0.00 -1.26 -5.17 105.19 100.60 1x5n n GLY 4 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.00 -0.07 1.61 2.88 -1.26 -5.04 113.62 111.74 1x5n n SER 5 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1x5n n SER 5 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 1x5n n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5n n SER 6 N 0.00 0.12 -2.90 -3.46 7.64 -1.26 -5.07 113.62 108.70 1x5n n SER 6 Ca 0.00 0.06 -0.02 0.00 1.01 0.00 0.00 58.87 59.92 1x5n n SER 6 Cb 0.00 1.01 -0.02 0.00 -1.01 0.00 0.00 64.21 64.19 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 1.64 -2.20 3.62 0.23 0.00 -1.26 -4.97 105.19 102.25 1x5n n GLY 7 Ca -0.26 0.66 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.52 5.16 1.10 1.61 0.01 -1.26 -5.11 113.70 114.68 1x5n s SER 8 Ca -0.10 0.06 -0.18 0.00 1.31 0.00 0.00 55.95 57.04 1x5n s SER 8 Cb 0.01 -1.62 0.25 0.00 0.21 0.00 0.00 66.02 64.87 1x5n s SER 8 CO 0.35 0.29 1.23 -2.16 0.41 0.00 0.00 173.24 173.35 1x5n s PRO 9 N -0.36 -0.42 0.00 12.44 0.04 -1.26 -5.04 135.00 140.40 1x5n s PRO 9 Ca 0.07 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 60.81 1x5n s PRO 9 Cb -0.12 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1x5n s PRO 9 CO 0.02 -3.14 0.00 0.41 0.04 0.00 0.00 177.00 174.33 1x5n n GLY 10 N -2.40 3.66 3.60 0.56 0.00 -1.26 -5.16 105.19 104.19 1x5n n GLY 10 Ca 0.15 -1.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.14 1x5n n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x5n s ASN 11 N 0.00 -0.88 -0.29 1.61 0.01 -1.26 -5.16 114.94 108.96 1x5n s ASN 11 Ca 0.00 1.29 -0.25 0.00 -0.71 0.00 0.00 52.86 53.19 1x5n s ASN 11 Cb 0.00 1.73 0.18 0.00 0.41 0.00 0.00 41.25 43.57 1x5n s ASN 11 CO 0.00 -0.19 1.38 -0.13 -1.51 0.00 0.00 177.10 176.65 1x5n s ARG 12 N 2.18 0.12 -0.29 -0.60 0.52 -1.26 -5.18 118.95 114.44 1x5n s ARG 12 Ca -0.07 0.14 -0.26 0.00 -0.52 0.00 0.00 55.73 55.02 1x5n s ARG 12 Cb -0.07 0.06 0.18 0.00 0.52 0.00 0.00 34.95 35.64 1x5n s ARG 12 CO -0.18 -0.02 1.36 -1.21 0.02 0.00 0.00 175.30 175.27 1x5n s GLU 13 N -0.02 0.14 0.00 3.54 2.02 -1.26 -5.07 118.70 118.05 1x5n s GLU 13 Ca 0.07 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.19 1x5n s GLU 13 Cb -0.05 0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.25 1x5n s GLU 13 CO -0.14 -0.02 0.00 0.09 0.02 0.00 0.00 175.26 175.21 1x5n n ASN 14 N 1.47 0.00 -4.89 -0.19 3.02 -1.26 -5.14 115.26 108.27 1x5n n ASN 14 Ca -0.09 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.20 1x5n n ASN 14 Cb 0.57 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.82 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 2.11 -0.11 3.52 1.02 -1.26 -4.73 119.74 120.29 1x5n s LYS 15 Ca 0.00 -0.28 -0.03 0.00 0.02 0.00 0.00 55.97 55.68 1x5n s LYS 15 Cb 0.00 -2.15 0.01 0.00 -0.52 0.00 0.00 37.83 35.17 1x5n s LYS 15 CO 0.00 -1.31 0.06 0.39 -0.92 0.00 0.00 175.35 173.57 1x5n n GLU 16 N -2.97 -2.32 -4.63 1.68 1.02 -1.25 -4.96 120.64 107.20 1x5n n GLU 16 Ca 0.09 2.00 -0.30 0.00 -0.02 0.00 0.00 57.16 58.93 1x5n n GLU 16 Cb 0.60 -2.86 -0.13 0.00 -0.02 0.00 0.00 31.44 29.03 1x5n n GLU 16 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1x5n s LYS 17 N -0.75 1.76 -0.15 3.49 -2.85 0.13 -4.96 119.74 116.40 1x5n s LYS 17 Ca -0.07 -1.15 -0.15 0.00 -1.00 0.00 0.00 55.97 53.60 1x5n s LYS 17 Cb 0.00 -2.03 -0.04 0.00 -2.06 0.00 0.00 37.83 33.70 1x5n s LYS 17 CO 0.36 0.50 0.34 0.21 0.10 0.00 0.00 175.35 176.86 1x5n s LYS 18 N -1.62 4.28 -0.12 1.78 2.36 -1.26 -1.61 119.74 123.56 1x5n s LYS 18 Ca 0.14 0.19 -0.01 0.00 -2.55 0.00 0.00 55.97 53.74 1x5n s LYS 18 Cb -0.10 -3.43 0.03 0.00 -1.05 0.00 0.00 37.83 33.28 1x5n s LYS 18 CO 0.05 0.20 -0.04 0.14 1.55 0.00 0.00 175.35 177.26 1x5n s VAL 19 N 0.55 0.78 -0.38 4.02 -7.23 0.17 -5.00 120.40 113.31 1x5n s VAL 19 Ca 0.19 -0.24 -0.17 0.00 -1.81 0.00 0.00 61.98 59.95 1x5n s VAL 19 Cb -0.14 -0.92 0.01 0.00 0.56 0.00 0.00 36.38 35.89 1x5n s VAL 19 CO 0.06 0.24 0.45 0.12 -0.31 0.00 0.00 175.10 175.65 1x5n s PHE 20 N 1.80 3.18 -0.27 2.82 2.19 -1.26 0.80 117.98 127.24 1x5n s PHE 20 Ca 0.04 -0.12 -0.14 0.00 0.33 0.00 0.00 56.93 57.04 1x5n s PHE 20 Cb -0.13 -2.86 -0.04 0.00 -1.31 0.00 0.00 43.02 38.67 1x5n s PHE 20 CO -0.07 -0.59 0.33 0.42 1.83 0.00 0.00 175.22 177.13 1x5n s ILE 21 N 2.21 5.21 -0.33 3.12 -1.09 0.92 -4.91 121.20 126.33 1x5n s ILE 21 Ca 0.14 0.48 -0.04 0.00 -2.23 0.00 0.00 60.65 59.00 1x5n s ILE 21 Cb -0.16 -3.66 0.05 0.00 -1.58 0.00 0.00 42.46 37.11 1x5n s ILE 21 CO 0.13 0.19 0.07 -0.55 -1.23 0.00 0.00 174.94 173.55 1x5n s SER 22 N 1.59 5.12 -1.42 3.58 0.15 -1.26 -0.52 113.70 120.94 1x5n s SER 22 Ca 0.13 -1.29 -0.10 0.00 0.70 0.00 0.00 55.95 55.40 1x5n s SER 22 Cb -0.16 -1.79 -0.07 0.00 -1.71 0.00 0.00 66.02 62.29 1x5n s SER 22 CO 0.10 -0.32 2.68 0.18 1.20 0.00 0.00 173.24 177.08 1x5n n LEU 23 N 4.71 7.59 -4.39 3.45 7.99 -0.96 -4.83 117.00 130.55 1x5n n LEU 23 Ca -0.12 -3.96 -0.20 0.00 -0.01 0.00 0.00 56.01 51.73 1x5n n LEU 23 Cb 0.44 -1.44 -0.10 0.00 -0.11 0.00 0.00 43.42 42.20 1x5n n LEU 23 CO 0.29 1.59 -0.39 0.68 -1.51 0.00 0.00 177.39 178.06 1x5n s VAL 24 N 2.62 1.60 0.05 4.08 -7.23 -1.24 -4.86 120.40 115.41 1x5n s VAL 24 Ca 0.60 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 1x5n s VAL 24 Cb 0.16 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.79 1x5n s VAL 24 CO -0.05 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 1x5n n GLY 25 N -0.50 -0.85 3.57 2.32 0.00 -1.26 -3.89 105.19 104.59 1x5n n GLY 25 Ca -0.06 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 1x5n n GLY 25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5n s SER 26 N -4.34 4.07 0.00 1.61 1.04 -1.26 -4.58 113.70 110.24 1x5n s SER 26 Ca 0.00 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.44 1x5n s SER 26 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1x5n s SER 26 CO 0.00 -4.01 0.00 -1.14 0.98 0.00 0.00 173.24 169.07 1x5n n ARG 27 N 8.36 0.00 -1.15 4.02 0.63 -1.25 -5.00 116.66 122.27 1x5n n ARG 27 Ca 0.43 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 57.33 1x5n n ARG 27 Cb 0.46 0.00 0.14 0.00 0.45 0.00 0.00 32.46 33.51 1x5n n ARG 27 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x5n n GLY 28 N 0.00 5.05 0.38 5.14 0.00 -1.26 -3.73 105.19 110.77 1x5n n GLY 28 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.86 -1.90 -0.23 0.99 7.94 -1.26 -4.97 117.00 116.72 1x5n n LEU 29 Ca 0.25 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 55.23 1x5n n LEU 29 Cb 0.81 -0.58 0.15 0.00 0.53 0.00 0.00 43.42 44.33 1x5n n LEU 29 CO 0.09 0.00 0.51 0.61 -1.11 0.00 0.00 177.39 177.48 1x5n n GLY 30 N 0.05 4.85 3.76 -3.96 0.00 -1.26 -4.90 105.19 103.73 1x5n n GLY 30 Ca 0.00 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.90 2.37 0.11 0.00 0.15 0.43 -4.94 113.70 107.91 1x5n s SER 32 Ca 0.40 -0.43 0.09 0.00 0.70 0.00 0.00 55.95 56.71 1x5n s SER 32 Cb -0.01 -0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 1x5n s SER 32 CO 0.24 0.21 -0.19 0.27 1.20 0.00 0.00 173.24 174.97 1x5n s ILE 33 N -0.61 2.80 0.22 6.45 -4.36 -1.26 0.19 121.20 124.63 1x5n s ILE 33 Ca 0.07 -1.48 -0.00 0.00 -0.26 0.00 0.00 60.65 58.98 1x5n s ILE 33 Cb -0.08 -2.27 -0.04 0.00 1.25 0.00 0.00 42.46 41.32 1x5n s ILE 33 CO 0.00 0.13 0.11 -0.55 0.24 0.00 0.00 174.94 174.87 1x5n s SER 34 N -2.05 0.56 0.06 4.36 0.15 -0.03 -4.82 113.70 111.93 1x5n s SER 34 Ca 0.17 -1.37 -0.12 0.00 0.70 0.00 0.00 55.95 55.33 1x5n s SER 34 Cb -0.11 0.29 -0.06 0.00 -1.71 0.00 0.00 66.02 64.44 1x5n s SER 34 CO 0.09 -0.79 0.42 -0.94 1.20 0.00 0.00 173.24 173.23 1x5n s SER 35 N -3.21 6.72 0.44 5.45 1.04 -1.26 -2.62 113.70 120.26 1x5n s SER 35 Ca 0.38 0.89 0.02 0.00 0.48 0.00 0.00 55.95 57.71 1x5n s SER 35 Cb 0.07 -2.22 -0.00 0.00 0.10 0.00 0.00 66.02 63.97 1x5n s SER 35 CO 0.12 0.21 0.65 -0.83 0.98 0.00 0.00 173.24 174.37 1x5n s GLY 36 N -1.53 1.60 0.00 7.32 0.00 -1.05 -4.95 107.32 108.70 1x5n s GLY 36 Ca 0.31 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.87 1x5n s GLY 36 CO 0.17 -0.99 0.00 -1.55 0.00 0.00 0.00 173.10 170.73 1x5n n PRO 37 N -2.03 -0.37 0.11 2.90 -0.04 -1.10 -4.51 135.00 129.95 1x5n n PRO 37 Ca 0.02 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.44 1x5n n PRO 37 Cb 0.58 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.10 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 -1.16 1.54 0.00 0.52 6.09 -1.99 0.29 117.51 122.79 1x5n h ILE 38 Ca 0.00 -2.58 -0.17 0.00 -1.37 0.00 0.00 64.86 60.74 1x5n h ILE 38 Cb 0.00 2.39 -0.02 0.00 0.47 0.00 0.00 36.82 39.66 1x5n h ILE 38 CO 0.00 0.74 -0.83 0.06 -3.07 0.00 0.00 178.15 175.05 1x5n h GLN 39 N 0.01 0.00 -2.05 2.19 3.07 -2.05 -3.35 115.11 112.93 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 1.34 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.50 1x5n h GLN 39 CO 0.10 0.83 -1.09 1.17 0.09 0.00 0.00 178.83 179.94 1x5n n LYS 40 N -3.40 1.32 -2.53 0.06 4.81 -1.16 -5.11 118.16 112.16 1x5n n LYS 40 Ca 0.00 -3.62 -0.37 0.00 -0.87 0.00 0.00 58.31 53.45 1x5n n LYS 40 Cb 0.84 -1.73 -0.04 0.00 0.02 0.00 0.00 35.03 34.12 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 -2.41 4.24 0.00 1.64 0.04 0.10 -2.73 135.00 135.89 1x5n s PRO 41 Ca 0.41 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1x5n s PRO 41 Cb 0.31 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1x5n s PRO 41 CO -0.09 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.28 1x5n n GLY 42 N 0.49 0.73 3.25 0.56 0.00 -1.25 -4.88 105.19 104.09 1x5n n GLY 42 Ca 0.04 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.24 2.54 -0.01 -0.61 -1.09 -1.25 -2.55 121.20 115.00 1x5n s ILE 43 Ca 0.00 -0.82 0.02 0.00 -2.23 0.00 0.00 60.65 57.63 1x5n s ILE 43 Cb 0.00 -2.06 -0.00 0.00 -1.58 0.00 0.00 42.46 38.82 1x5n s ILE 43 CO 0.00 0.53 -0.08 -0.36 -1.23 0.00 0.00 174.94 173.80 1x5n s PHE 44 N 0.74 0.71 0.36 3.97 0.40 -1.08 0.15 117.98 123.24 1x5n s PHE 44 Ca -0.07 -0.14 -0.27 0.00 -0.60 0.00 0.00 56.93 55.85 1x5n s PHE 44 Cb -0.16 -0.47 -0.09 0.00 0.51 0.00 0.00 43.02 42.81 1x5n s PHE 44 CO 0.01 -0.03 1.26 0.42 0.70 0.00 0.00 175.22 177.58 1x5n s ILE 45 N -0.10 2.85 -0.20 0.64 1.01 -1.17 -0.85 121.20 123.39 1x5n s ILE 45 Ca 0.02 0.79 0.05 0.00 0.00 0.00 0.00 60.65 61.51 1x5n s ILE 45 Cb -0.04 -3.48 -0.16 0.00 0.01 0.00 0.00 42.46 38.79 1x5n s ILE 45 CO -0.00 0.14 -0.12 -1.54 0.00 0.00 0.00 174.94 173.42 1x5n n SER 46 N 0.47 1.96 -3.74 3.58 3.41 0.51 -3.41 113.62 116.40 1x5n n SER 46 Ca 0.02 -0.08 -0.10 0.00 -0.26 0.00 0.00 58.87 58.45 1x5n n SER 46 Cb 0.44 0.02 -0.04 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 -2.41 -0.07 -0.09 7.33 5.65 -1.21 -4.87 115.29 119.60 1x5n s HIS 47 Ca -0.23 -0.26 -0.04 0.00 0.25 0.00 0.00 55.06 54.78 1x5n s HIS 47 Cb 0.07 0.29 0.05 0.00 -1.18 0.00 0.00 32.58 31.81 1x5n s HIS 47 CO 0.54 -0.83 0.20 0.08 -0.65 0.00 0.00 174.74 174.08 1x5n s VAL 48 N -3.87 -0.18 0.62 0.89 1.01 -1.26 -0.42 120.40 117.19 1x5n s VAL 48 Ca 0.08 0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.16 1x5n s VAL 48 Cb 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 1x5n s VAL 48 CO -0.05 0.10 1.07 -0.54 0.00 0.00 0.00 175.10 175.68 1x5n s LYS 49 N 1.75 3.15 -0.09 2.72 1.02 0.11 -4.95 119.74 123.44 1x5n s LYS 49 Ca -0.04 1.22 -0.30 0.00 0.02 0.00 0.00 55.97 56.88 1x5n s LYS 49 Cb -0.11 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 1x5n s LYS 49 CO -0.07 -0.95 1.24 -1.25 -0.92 0.00 0.00 175.35 173.40 1x5n s PRO 50 N -4.18 4.30 -0.78 -1.68 0.04 -1.26 -2.67 135.00 128.77 1x5n s PRO 50 Ca 0.64 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1x5n s PRO 50 Cb -0.17 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1x5n s PRO 50 CO 0.40 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1x5n n GLY 51 N 3.48 0.78 1.47 0.56 0.00 -1.26 -5.02 105.19 105.20 1x5n n GLY 51 Ca 0.12 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 0.72 -0.88 0.20 1.61 3.41 -1.09 -4.71 113.62 112.87 1x5n n SER 52 Ca -0.08 -0.93 0.13 0.00 -0.26 0.00 0.00 58.87 57.74 1x5n n SER 52 Cb 0.32 -0.41 0.38 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.03 1.04 6.46 -1.90 -1.43 115.31 119.50 1x5n h LEU 53 Ca -0.17 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.24 1x5n h LEU 53 Cb 0.50 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.37 1x5n h LEU 53 CO 0.11 0.00 -2.12 -1.54 -0.62 0.00 0.00 178.44 174.27 1x5n n SER 54 N -2.80 1.12 -0.01 1.25 3.41 -1.26 -4.09 113.62 111.25 1x5n n SER 54 Ca 0.03 0.14 -0.10 0.00 -0.26 0.00 0.00 58.87 58.68 1x5n n SER 54 Cb 0.42 -0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.60 0.68 -0.42 7.33 0.00 -1.76 0.44 119.26 126.13 1x5n h ALA 55 Ca -0.45 -0.51 0.08 0.00 0.00 0.00 0.00 54.91 54.03 1x5n h ALA 55 Cb 2.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 1x5n h ALA 55 CO 0.03 0.68 0.29 1.05 0.00 0.00 0.00 179.25 181.30 1x5n h GLU 56 N 0.47 0.22 0.00 0.00 4.11 -1.43 0.11 114.58 118.06 1x5n h GLU 56 Ca 0.01 -0.01 -0.15 0.00 0.07 0.00 0.00 59.36 59.28 1x5n h GLU 56 Cb 1.08 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1x5n h GLU 56 CO 0.10 0.15 -1.13 -0.39 0.07 0.00 0.00 179.01 177.81 1x5n h VAL 57 N 0.23 0.65 0.00 -1.06 -1.51 -1.64 -3.48 116.25 109.43 1x5n h VAL 57 Ca 0.19 -2.11 0.00 0.00 -1.23 0.00 0.00 66.70 63.55 1x5n h VAL 57 Cb 0.46 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 1x5n h VAL 57 CO -0.03 0.37 0.00 0.61 -1.23 0.00 0.00 177.57 177.28 1x5n n GLY 58 N 1.34 0.92 3.84 5.19 0.00 0.38 -5.09 105.19 111.77 1x5n n GLY 58 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 4.47 0.30 0.99 1.43 0.14 -4.98 118.68 121.03 1x5n s LEU 59 Ca 0.00 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.10 1x5n s LEU 59 Cb 0.00 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 1x5n s LEU 59 CO 0.00 0.31 0.15 -1.61 0.23 0.00 0.00 176.35 175.42 1x5n s GLU 60 N -1.17 1.57 0.10 1.70 2.02 -1.26 -4.44 118.70 117.22 1x5n s GLU 60 Ca 0.25 -1.89 -0.31 0.00 0.02 0.00 0.00 54.97 53.04 1x5n s GLU 60 Cb -0.17 -0.14 -0.09 0.00 0.10 0.00 0.00 34.13 33.83 1x5n s GLU 60 CO 0.14 -0.42 1.65 0.42 0.02 0.00 0.00 175.26 177.07 1x5n s ILE 61 N -3.63 2.89 0.00 -1.63 1.01 -1.26 -2.51 121.20 116.07 1x5n s ILE 61 Ca 0.36 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.45 1x5n s ILE 61 Cb 0.05 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.24 1x5n s ILE 61 CO 0.17 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1x5n n GLY 62 N 3.95 2.01 3.53 6.18 0.00 -1.22 -4.67 105.19 114.97 1x5n n GLY 62 Ca 0.15 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 0.87 -4.63 1.61 8.00 -1.04 -1.78 116.55 119.57 1x5n n ASP 63 Ca 0.00 -0.48 -0.42 0.00 0.71 0.00 0.00 54.79 54.60 1x5n n ASP 63 Cb 0.00 -1.19 -0.03 0.00 -0.02 0.00 0.00 41.12 39.87 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 8.40 4.05 -0.45 -1.24 0.74 -1.26 -3.02 119.66 126.88 1x5n s GLN 64 Ca 1.16 0.89 -0.28 0.00 0.05 0.00 0.00 55.36 57.18 1x5n s GLN 64 Cb -0.64 -3.72 -0.01 0.00 1.10 0.00 0.00 33.01 29.74 1x5n s GLN 64 CO 0.36 -0.75 1.68 0.42 -0.55 0.00 0.00 175.29 176.45 1x5n s ILE 65 N 3.26 3.57 -0.13 -2.34 1.01 0.40 -3.74 121.20 123.24 1x5n s ILE 65 Ca 0.39 0.52 0.20 0.00 0.00 0.00 0.00 60.65 61.76 1x5n s ILE 65 Cb -0.13 -3.95 -0.20 0.00 0.01 0.00 0.00 42.46 38.19 1x5n s ILE 65 CO 0.13 -0.72 0.62 1.33 0.00 0.00 0.00 174.94 176.30 1x5n n VAL 66 N 7.22 0.70 -3.70 2.92 0.24 -0.74 -3.86 118.33 121.12 1x5n n VAL 66 Ca 0.19 -0.63 -0.12 0.00 -2.04 0.00 0.00 64.34 61.75 1x5n n VAL 66 Cb 0.49 -0.36 -0.06 0.00 -1.47 0.00 0.00 33.84 32.44 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 -3.14 0.91 -0.20 7.34 2.12 -1.18 -1.81 118.70 122.75 1x5n s GLU 67 Ca -0.05 -0.53 -0.07 0.00 0.36 0.00 0.00 54.97 54.68 1x5n s GLU 67 Cb 0.10 0.40 0.09 0.00 0.26 0.00 0.00 34.13 34.98 1x5n s GLU 67 CO 0.84 -0.32 0.41 0.08 -0.54 0.00 0.00 175.26 175.74 1x5n s VAL 68 N -2.90 -0.64 -1.22 3.70 1.01 -0.95 -0.21 120.40 119.19 1x5n s VAL 68 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1x5n s VAL 68 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1x5n s VAL 68 CO -0.05 0.07 0.00 -3.20 0.00 0.00 0.00 175.10 171.92 1x5n n ASN 69 N 5.39 -3.51 0.00 3.32 2.85 0.45 0.19 115.26 123.94 1x5n n ASN 69 Ca -0.08 0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1x5n n ASN 69 Cb 0.49 -3.18 0.00 0.00 1.24 0.00 0.00 39.78 38.34 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 -0.45 0.72 3.87 8.20 0.00 -1.26 -4.88 105.19 111.39 1x5n n GLY 70 Ca -0.13 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 5.12 -1.10 1.61 1.01 0.50 -5.01 120.40 120.53 1x5n s VAL 71 Ca 0.00 0.34 -0.20 0.00 0.00 0.00 0.00 61.98 62.12 1x5n s VAL 71 Cb 0.00 -3.63 0.08 0.00 0.00 0.00 0.00 36.38 32.83 1x5n s VAL 71 CO 0.00 0.24 1.48 -0.62 0.00 0.00 0.00 175.10 176.19 1x5n s ASP 72 N -1.90 6.67 -0.19 3.32 2.15 -1.26 -2.25 116.67 123.21 1x5n s ASP 72 Ca 0.34 -1.97 0.02 0.00 0.43 0.00 0.00 52.55 51.37 1x5n s ASP 72 Cb -0.13 -2.53 0.29 0.00 -0.30 0.00 0.00 42.92 40.25 1x5n s ASP 72 CO 0.19 -1.27 1.39 0.49 -0.17 0.00 0.00 175.17 175.80 1x5n n PHE 73 N 8.06 1.32 0.02 -5.34 3.01 -0.75 -4.40 117.46 119.38 1x5n n PHE 73 Ca 0.36 -1.06 -0.01 0.00 1.01 0.00 0.00 57.45 57.75 1x5n n PHE 73 Cb 0.49 -0.54 -0.00 0.00 -0.01 0.00 0.00 39.48 39.41 1x5n n PHE 73 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1x5n h SER 74 N 0.48 -0.06 -1.46 4.37 0.87 -1.82 -3.38 113.55 112.55 1x5n h SER 74 Ca 0.27 0.00 -0.66 0.00 -1.23 0.00 0.00 61.79 60.17 1x5n h SER 74 Cb 1.79 0.01 -0.35 0.00 -0.44 0.00 0.00 62.40 63.42 1x5n h SER 74 CO 0.47 -0.00 0.13 0.59 -0.53 0.00 0.00 176.83 177.48 1x5n n ASN 75 N -2.37 6.20 -2.25 6.23 3.02 -1.26 -3.80 115.26 121.02 1x5n n ASN 75 Ca -0.01 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.76 1x5n n ASN 75 Cb 0.03 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.47 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 -0.61 0.00 -4.30 3.41 4.77 -1.26 -5.04 117.00 113.96 1x5n n LEU 76 Ca 0.49 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 56.31 1x5n n LEU 76 Cb 0.57 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.56 1x5n n LEU 76 CO 0.48 -0.38 -0.23 -0.62 -1.33 0.00 0.00 177.39 175.31 1x5n s ASP 77 N -1.00 1.12 0.00 -1.43 2.15 -1.26 -4.83 116.67 111.41 1x5n s ASP 77 Ca 0.00 -1.44 0.17 0.00 0.43 0.00 0.00 52.55 51.71 1x5n s ASP 77 Cb 0.00 0.27 0.82 0.00 -0.30 0.00 0.00 42.92 43.71 1x5n s ASP 77 CO 0.00 -0.80 1.51 1.57 -0.17 0.00 0.00 175.17 177.28 1x5n n HIS 78 N -0.47 0.00 -0.07 -5.34 -0.00 -1.26 0.74 115.22 108.82 1x5n n HIS 78 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 1x5n n HIS 78 Cb 0.66 -0.33 -0.08 0.00 -0.00 0.00 0.00 29.99 30.24 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 0.89 0.11 1.57 4.76 -1.26 -3.93 118.16 118.97 1x5n n LYS 79 Ca 0.07 0.06 -0.20 0.00 -2.87 0.00 0.00 58.31 55.37 1x5n n LYS 79 Cb 0.15 -1.31 -0.13 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 -0.08 1.97 5.08 -1.88 0.55 114.58 120.71 1x5n h GLU 80 Ca -0.34 -0.73 -0.13 0.00 -1.00 0.00 0.00 59.36 57.16 1x5n h GLU 80 Cb 1.60 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 31.10 1x5n h GLU 80 CO -0.03 1.33 -0.54 0.00 -1.00 0.00 0.00 179.01 178.77 1x5n h ALA 81 N 0.37 0.95 0.09 3.43 0.00 0.07 -1.98 119.26 122.19 1x5n h ALA 81 Ca -0.18 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 1x5n h ALA 81 Cb 1.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1x5n h ALA 81 CO 0.23 0.68 -0.04 0.28 0.00 0.00 0.00 179.25 180.40 1x5n h VAL 82 N 0.17 0.57 -0.86 0.00 2.07 -1.68 -2.99 116.25 113.54 1x5n h VAL 82 Ca 0.00 -1.26 0.22 0.00 0.82 0.00 0.00 66.70 66.49 1x5n h VAL 82 Cb 1.00 1.04 -0.14 0.00 -1.52 0.00 0.00 31.29 31.67 1x5n h VAL 82 CO 0.08 0.18 0.19 -1.13 0.02 0.00 0.00 177.57 176.91 1x5n h ASN 83 N -0.99 -0.07 -0.45 0.57 -1.24 -0.93 1.99 115.58 114.46 1x5n h ASN 83 Ca -0.01 0.20 0.02 0.00 0.71 0.00 0.00 56.30 57.22 1x5n h ASN 83 Cb 0.39 0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.70 1x5n h ASN 83 CO 0.02 -0.16 0.30 0.58 -1.29 0.00 0.00 177.43 176.88 1x5n h VAL 84 N 0.19 1.07 -0.14 2.57 2.07 -1.44 0.28 116.25 120.84 1x5n h VAL 84 Ca 0.53 -0.19 -0.19 0.00 0.82 0.00 0.00 66.70 67.67 1x5n h VAL 84 Cb 1.05 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1x5n h VAL 84 CO -0.66 0.10 -0.69 -0.07 0.02 0.00 0.00 177.57 176.26 1x5n h LEU 85 N 0.54 0.70 -1.18 2.57 3.38 0.31 -2.85 115.31 118.79 1x5n h LEU 85 Ca 0.18 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1x5n h LEU 85 Cb 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1x5n h LEU 85 CO -0.04 1.20 -0.30 0.11 0.09 0.00 0.00 178.44 179.49 1x5n h LYS 86 N 0.43 0.00 -0.03 1.13 1.57 0.13 -3.30 116.57 116.49 1x5n h LYS 86 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1x5n h LYS 86 Cb 1.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 1x5n h LYS 86 CO 0.13 0.30 -0.02 0.45 -0.57 0.00 0.00 179.45 179.75 1x5n n SER 87 N -3.59 -0.04 -4.11 0.86 2.88 0.81 -4.72 113.62 105.70 1x5n n SER 87 Ca -0.01 0.88 -0.22 0.00 -1.33 0.00 0.00 58.87 58.19 1x5n n SER 87 Cb 0.43 -0.42 -0.09 0.00 -0.75 0.00 0.00 64.21 63.39 1x5n n SER 87 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5n s SER 88 N -3.10 2.22 -0.11 -3.46 0.15 -1.24 -5.09 113.70 103.07 1x5n s SER 88 Ca -0.00 -1.58 -0.07 0.00 0.70 0.00 0.00 55.95 55.00 1x5n s SER 88 Cb 0.00 0.37 -0.05 0.00 -1.71 0.00 0.00 66.02 64.63 1x5n s SER 88 CO 0.02 -0.87 0.11 0.03 1.20 0.00 0.00 173.24 173.74 1x5n h ARG 89 N 2.01 0.00 -6.55 5.44 2.47 -1.85 -3.44 114.38 112.46 1x5n h ARG 89 Ca -0.35 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 57.80 1x5n h ARG 89 Cb 1.26 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.51 1x5n h ARG 89 CO 0.57 0.20 0.92 -1.12 0.56 0.00 0.00 179.97 181.09 1x5n s SER 90 N -5.72 6.70 0.08 7.04 0.01 -1.25 -2.28 113.70 118.27 1x5n s SER 90 Ca -0.06 0.73 0.03 0.00 1.31 0.00 0.00 55.95 57.96 1x5n s SER 90 Cb -0.00 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 1x5n s SER 90 CO 0.16 -1.15 -0.10 -0.76 0.41 0.00 0.00 173.24 171.80 1x5n s LEU 91 N 4.30 2.34 -0.46 2.44 1.43 0.32 -4.99 118.68 124.08 1x5n s LEU 91 Ca 0.49 -0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 52.80 1x5n s LEU 91 Cb -0.10 -0.30 0.11 0.00 0.03 0.00 0.00 46.19 45.94 1x5n s LEU 91 CO 0.26 -0.22 0.31 -0.89 0.23 0.00 0.00 176.35 176.05 1x5n s THR 92 N -1.97 4.07 -0.02 5.49 2.01 -1.26 -0.06 115.64 123.90 1x5n s THR 92 Ca -0.00 -1.79 -0.20 0.00 0.31 0.00 0.00 61.69 60.01 1x5n s THR 92 Cb -0.06 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 1x5n s THR 92 CO 0.00 -0.73 0.57 -0.63 -0.69 0.00 0.00 174.62 173.13 1x5n s ILE 93 N 1.33 4.95 -0.40 1.82 1.01 0.24 0.17 121.20 130.33 1x5n s ILE 93 Ca 0.06 1.18 -0.02 0.00 0.00 0.00 0.00 60.65 61.86 1x5n s ILE 93 Cb -0.25 -3.90 0.11 0.00 0.01 0.00 0.00 42.46 38.42 1x5n s ILE 93 CO -0.01 0.42 0.19 -0.55 0.00 0.00 0.00 174.94 174.99 1x5n s SER 94 N -0.16 5.21 0.41 3.58 0.15 0.71 0.43 113.70 124.03 1x5n s SER 94 Ca 0.30 -2.02 0.08 0.00 0.70 0.00 0.00 55.95 55.01 1x5n s SER 94 Cb -0.18 -1.81 0.01 0.00 -1.71 0.00 0.00 66.02 62.33 1x5n s SER 94 CO 0.16 -0.52 0.55 0.27 1.20 0.00 0.00 173.24 174.90 1x5n s ILE 95 N 1.13 3.09 -0.35 6.45 -4.36 -0.63 -1.78 121.20 124.74 1x5n s ILE 95 Ca 0.08 -1.02 0.06 0.00 -0.26 0.00 0.00 60.65 59.52 1x5n s ILE 95 Cb -0.22 -3.04 0.49 0.00 1.25 0.00 0.00 42.46 40.93 1x5n s ILE 95 CO -0.04 -0.02 1.48 0.52 0.24 0.00 0.00 174.94 177.12 1x5n n VAL 96 N -1.81 2.73 -3.02 8.37 0.31 -1.25 0.21 118.33 123.88 1x5n n VAL 96 Ca 0.07 -3.22 -0.01 0.00 -0.01 0.00 0.00 64.34 61.18 1x5n n VAL 96 Cb 0.59 -0.69 -0.01 0.00 -0.91 0.00 0.00 33.84 32.82 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 -0.98 -2.16 -3.85 3.52 0.00 -1.26 -3.40 120.51 112.38 1x5n n ALA 97 Ca 0.41 0.35 -0.36 0.00 0.00 0.00 0.00 53.44 53.85 1x5n n ALA 97 Cb 0.96 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 19.38 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 1.58 -2.50 0.13 0.00 0.00 -1.26 -4.86 120.51 113.61 1x5n n ALA 98 Ca -0.05 -0.36 -0.05 0.00 0.00 0.00 0.00 53.44 52.98 1x5n n ALA 98 Cb 0.30 -3.28 -0.02 0.00 0.00 0.00 0.00 19.45 16.44 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 1.08 -0.97 -1.63 0.00 0.00 -1.36 -3.32 119.26 113.05 1x5n h ALA 99 Ca -0.68 -0.07 -0.73 0.00 0.00 0.00 0.00 54.91 53.43 1x5n h ALA 99 Cb 1.38 0.13 -0.32 0.00 0.00 0.00 0.00 17.79 18.97 1x5n h ALA 99 CO 0.52 -0.95 0.43 0.41 0.00 0.00 0.00 179.25 179.66 1x5n n GLY 100 N -0.83 5.94 0.17 0.00 0.00 -0.83 -4.71 105.19 104.94 1x5n n GLY 100 Ca -0.04 -2.66 0.13 0.00 0.00 0.00 0.00 46.02 43.45 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 3.80 0.00 0.00 1.61 0.11 -1.70 -2.86 114.38 115.33 1x5n h ARG 101 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 1x5n h ARG 101 Cb 0.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.47 1x5n h ARG 101 CO 1.05 0.00 0.00 -0.85 0.10 0.00 0.00 179.97 180.27 1x5n n GLU 102 N -2.63 0.11 0.25 0.08 0.28 -1.26 -0.23 120.64 117.24 1x5n n GLU 102 Ca 0.04 0.18 0.15 0.00 -0.16 0.00 0.00 57.16 57.36 1x5n n GLU 102 Cb 0.41 -1.50 0.51 0.00 1.43 0.00 0.00 31.44 32.28 1x5n n GLU 102 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1x5n h LEU 103 N 0.00 0.00 0.00 -1.84 3.38 -1.91 -3.37 115.31 111.58 1x5n h LEU 103 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x5n h LEU 103 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1x5n h LEU 103 CO 0.00 0.03 -0.85 0.49 0.09 0.00 0.00 178.44 178.20 1x5n n PHE 104 N -3.13 0.00 0.00 1.13 3.01 -0.81 -5.01 117.46 112.66 1x5n n PHE 104 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1x5n n PHE 104 Cb 0.39 0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1x5n n PHE 104 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1x5n n MET 105 N -2.87 0.00 -0.27 -1.08 2.81 0.68 -4.90 117.12 111.49 1x5n n MET 105 Ca 0.00 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.93 1x5n n MET 105 Cb 0.43 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.93 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 0.00 0.00 0.00 2.03 5.66 -1.26 -4.96 114.28 115.75 1x5n n THR 106 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1x5n n THR 106 Cb 0.00 -0.09 0.00 0.00 -1.55 0.00 0.00 70.33 68.69 1x5n n THR 106 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1x5n n ASP 107 N -3.96 0.00 -4.62 1.09 5.75 -1.26 -5.15 116.55 108.40 1x5n n ASP 107 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.37 1x5n n ASP 107 Cb 0.13 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.23 1x5n n ASP 107 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1x5n n ARG 108 N 0.00 1.40 0.00 0.11 1.85 -1.26 -4.96 116.66 113.80 1x5n n ARG 108 Ca 0.00 0.50 0.00 0.00 -1.00 0.00 0.00 57.85 57.35 1x5n n ARG 108 Cb 0.00 -2.09 0.00 0.00 -1.05 0.00 0.00 32.46 29.32 1x5n n ARG 108 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1x5n n SER 109 N 0.40 0.00 -0.06 2.89 2.88 -1.26 -5.14 113.62 113.33 1x5n n SER 109 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1x5n n SER 109 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.63 3.79 0.46 0.00 -1.26 -5.08 105.19 103.72 1x5n n GLY 110 Ca 0.00 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.27 1.00 -0.00 1.61 0.04 -1.26 -5.09 135.00 128.03 1x5n s PRO 111 Ca 0.00 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1x5n s PRO 111 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1x5n s PRO 111 CO 0.00 -2.28 -0.01 -1.12 0.04 0.00 0.00 177.00 173.63 1x5n s SER 112 N -4.08 0.14 -0.06 6.66 0.01 -1.26 -5.15 113.70 109.97 1x5n s SER 112 Ca 0.65 -0.02 0.04 0.00 1.31 0.00 0.00 55.95 57.93 1x5n s SER 112 Cb -0.14 -0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 1x5n s SER 112 CO 0.53 0.01 -0.17 -0.44 0.41 0.00 0.00 173.24 173.58 1x5n s SER 113 N 0.02 3.74 0.00 2.44 0.01 -1.26 -5.28 113.70 113.37 1x5n s SER 113 Ca 0.00 -0.31 0.26 0.00 1.31 0.00 0.00 55.95 57.21 1x5n s SER 113 Cb -0.01 -0.93 0.58 0.00 0.21 0.00 0.00 66.02 65.87 1x5n s SER 113 CO -0.00 0.29 1.48 0.61 0.41 0.00 0.00 173.24 176.03