#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 -0.95 -0.28 1.61 1.04 -1.26 -5.15 113.70 108.71 1x5n s SER 2 Ca 0.00 -0.51 -0.25 0.00 0.48 0.00 0.00 55.95 55.67 1x5n s SER 2 Cb 0.00 1.22 0.13 0.00 0.10 0.00 0.00 66.02 67.47 1x5n s SER 2 CO 0.00 -0.10 1.08 -0.55 0.98 0.00 0.00 173.24 174.65 1x5n s SER 3 N 1.87 -0.39 0.00 7.02 0.15 -1.26 -5.12 113.70 115.97 1x5n s SER 3 Ca 0.16 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1x5n s SER 3 Cb -0.00 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 1x5n s SER 3 CO -0.11 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1x5n n GLY 4 N 2.06 0.07 3.15 9.45 0.00 -1.26 -5.16 105.19 113.50 1x5n n GLY 4 Ca -0.12 0.27 0.05 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -0.89 0.03 1.61 0.15 -1.26 -5.01 113.70 108.32 1x5n s SER 5 Ca 0.00 0.27 0.22 0.00 0.70 0.00 0.00 55.95 57.13 1x5n s SER 5 Cb 0.00 1.63 -0.23 0.00 -1.71 0.00 0.00 66.02 65.71 1x5n s SER 5 CO 0.00 -0.16 0.63 -1.20 1.20 0.00 0.00 173.24 173.71 1x5n n SER 6 N 5.33 0.28 -2.60 5.45 7.64 -1.26 -5.06 113.62 123.40 1x5n n SER 6 Ca 0.03 0.11 -0.03 0.00 1.01 0.00 0.00 58.87 59.99 1x5n n SER 6 Cb 0.55 1.41 -0.03 0.00 -1.01 0.00 0.00 64.21 65.13 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 1.27 -4.81 3.02 0.23 0.00 -1.26 -5.05 105.19 98.60 1x5n n GLY 7 Ca -0.05 1.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.93 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 -1.05 1.28 1.11 1.61 0.01 -1.26 -5.15 113.70 110.25 1x5n s SER 8 Ca -0.16 -0.20 -0.17 0.00 1.31 0.00 0.00 55.95 56.73 1x5n s SER 8 Cb 0.01 -0.29 0.24 0.00 0.21 0.00 0.00 66.02 66.20 1x5n s SER 8 CO 0.76 0.09 1.12 -0.81 0.41 0.00 0.00 173.24 174.81 1x5n n PRO 9 N 3.14 -2.07 -0.23 12.44 -0.04 -1.26 -4.95 135.00 142.03 1x5n n PRO 9 Ca -0.17 -1.76 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 1x5n n PRO 9 Cb 0.55 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1x5n n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x5n n GLY 10 N -3.60 -3.27 2.60 0.55 0.00 -1.26 -5.02 105.19 95.19 1x5n n GLY 10 Ca 0.15 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 1x5n n GLY 10 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x5n n ASN 11 N -0.88 -1.82 -4.53 1.61 2.85 -1.26 -5.12 115.26 106.11 1x5n n ASN 11 Ca 0.00 -3.33 -0.34 0.00 -0.11 0.00 0.00 54.58 50.80 1x5n n ASN 11 Cb 0.00 1.23 -0.11 0.00 1.24 0.00 0.00 39.78 42.13 1x5n n ASN 11 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1x5n s ARG 12 N -0.10 3.75 -0.13 1.20 0.52 -1.26 -5.09 118.95 117.84 1x5n s ARG 12 Ca 0.30 -0.47 -0.11 0.00 -0.52 0.00 0.00 55.73 54.93 1x5n s ARG 12 Cb 0.26 -3.04 0.03 0.00 0.52 0.00 0.00 34.95 32.72 1x5n s ARG 12 CO -0.14 0.20 0.33 -1.21 0.02 0.00 0.00 175.30 174.51 1x5n s GLU 13 N 0.50 0.38 0.46 3.54 0.41 -1.26 -5.03 118.70 117.71 1x5n s GLU 13 Ca -0.01 0.48 0.00 0.00 -0.41 0.00 0.00 54.97 55.03 1x5n s GLU 13 Cb -0.14 0.17 0.00 0.00 -1.78 0.00 0.00 34.13 32.39 1x5n s GLU 13 CO 0.02 -0.05 0.00 -1.71 -0.49 0.00 0.00 175.26 173.03 1x5n n ASN 14 N 2.99 -4.06 -4.60 -0.19 5.15 -1.26 -5.14 115.26 108.15 1x5n n ASN 14 Ca -0.14 0.88 -0.29 0.00 -0.60 0.00 0.00 54.58 54.44 1x5n n ASN 14 Cb 0.57 3.78 0.17 0.00 -0.53 0.00 0.00 39.78 43.77 1x5n n ASN 14 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1x5n s LYS 15 N -1.94 0.55 -0.26 1.20 3.01 -1.26 -4.57 119.74 116.47 1x5n s LYS 15 Ca 0.00 0.28 -0.08 0.00 -1.01 0.00 0.00 55.97 55.15 1x5n s LYS 15 Cb 0.00 -1.77 0.01 0.00 -1.01 0.00 0.00 37.83 35.06 1x5n s LYS 15 CO 0.00 -2.60 0.20 0.39 0.51 0.00 0.00 175.35 173.85 1x5n n GLU 16 N -4.04 -2.18 -4.29 1.68 1.02 -1.24 -4.94 120.64 106.66 1x5n n GLU 16 Ca 0.07 1.92 -0.25 0.00 -0.02 0.00 0.00 57.16 58.88 1x5n n GLU 16 Cb 0.59 -3.75 -0.08 0.00 -0.02 0.00 0.00 31.44 28.18 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 -1.74 2.21 -0.21 3.49 -2.85 0.20 -4.96 119.74 115.88 1x5n s LYS 17 Ca 0.10 -1.33 -0.05 0.00 -1.00 0.00 0.00 55.97 53.69 1x5n s LYS 17 Cb -0.02 -2.18 -0.02 0.00 -2.06 0.00 0.00 37.83 33.55 1x5n s LYS 17 CO 0.57 0.40 -0.01 0.21 0.10 0.00 0.00 175.35 176.63 1x5n s LYS 18 N -3.27 3.56 -0.18 1.78 2.36 -1.26 -0.86 119.74 121.87 1x5n s LYS 18 Ca 0.29 -0.54 0.01 0.00 -2.55 0.00 0.00 55.97 53.17 1x5n s LYS 18 Cb -0.08 -3.07 0.03 0.00 -1.05 0.00 0.00 37.83 33.67 1x5n s LYS 18 CO 0.18 -0.04 -0.13 0.14 1.55 0.00 0.00 175.35 177.05 1x5n s VAL 19 N 1.12 1.71 -0.37 4.02 -7.23 0.50 -4.97 120.40 115.18 1x5n s VAL 19 Ca 0.02 -0.91 -0.19 0.00 -1.81 0.00 0.00 61.98 59.10 1x5n s VAL 19 Cb -0.14 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.11 1x5n s VAL 19 CO 0.01 0.31 0.53 0.12 -0.31 0.00 0.00 175.10 175.76 1x5n s PHE 20 N 1.39 3.16 -0.28 2.82 2.19 -1.26 0.79 117.98 126.79 1x5n s PHE 20 Ca 0.01 0.08 -0.14 0.00 0.33 0.00 0.00 56.93 57.21 1x5n s PHE 20 Cb -0.15 -3.00 -0.04 0.00 -1.31 0.00 0.00 43.02 38.52 1x5n s PHE 20 CO -0.10 -0.62 0.34 0.42 1.83 0.00 0.00 175.22 177.10 1x5n s ILE 21 N 2.45 5.19 -0.18 3.12 -1.09 0.12 -4.91 121.20 125.90 1x5n s ILE 21 Ca 0.19 0.45 -0.02 0.00 -2.23 0.00 0.00 60.65 59.03 1x5n s ILE 21 Cb -0.15 -3.69 -0.01 0.00 -1.58 0.00 0.00 42.46 37.03 1x5n s ILE 21 CO 0.14 0.14 -0.08 -0.94 -1.23 0.00 0.00 174.94 172.97 1x5n s SER 22 N 1.67 4.16 -0.81 3.58 1.04 -1.26 -0.67 113.70 121.42 1x5n s SER 22 Ca 0.13 -0.37 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 1x5n s SER 22 Cb -0.16 -1.68 0.29 0.00 0.10 0.00 0.00 66.02 64.57 1x5n s SER 22 CO 0.10 0.05 2.15 0.18 0.98 0.00 0.00 173.24 176.71 1x5n n LEU 23 N 4.28 7.34 -4.52 2.42 7.99 -1.04 -4.92 117.00 128.56 1x5n n LEU 23 Ca -0.18 -4.75 -0.24 0.00 -0.01 0.00 0.00 56.01 50.82 1x5n n LEU 23 Cb 0.51 -1.11 -0.11 0.00 -0.11 0.00 0.00 43.42 42.60 1x5n n LEU 23 CO 0.30 1.79 -0.30 0.68 -1.51 0.00 0.00 177.39 178.34 1x5n s VAL 24 N -4.42 1.68 -0.69 4.08 -7.23 -1.26 -4.74 120.40 107.83 1x5n s VAL 24 Ca 0.52 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.63 1x5n s VAL 24 Cb 0.40 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 1x5n s VAL 24 CO -0.35 -0.07 0.58 0.61 -0.31 0.00 0.00 175.10 175.56 1x5n n GLY 25 N -0.79 -0.20 3.68 2.32 0.00 -1.26 -3.97 105.19 104.97 1x5n n GLY 25 Ca -0.04 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.42 -4.99 -4.03 1.61 7.64 -1.26 -4.97 113.62 105.19 1x5n n SER 26 Ca -0.11 -0.66 -0.10 0.00 1.01 0.00 0.00 58.87 59.01 1x5n n SER 26 Cb 0.59 -1.57 -0.08 0.00 -1.01 0.00 0.00 64.21 62.14 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 -3.96 1.15 -0.15 1.43 1.81 -1.25 -5.17 118.95 112.80 1x5n s ARG 27 Ca 0.15 -1.29 -0.22 0.00 -1.72 0.00 0.00 55.73 52.66 1x5n s ARG 27 Cb -0.02 0.35 0.05 0.00 -0.45 0.00 0.00 34.95 34.88 1x5n s ARG 27 CO 0.88 -0.41 0.56 0.20 -0.68 0.00 0.00 175.30 175.86 1x5n s GLY 28 N -3.01 -0.42 0.51 -3.53 0.00 -1.26 -4.72 107.32 94.89 1x5n s GLY 28 Ca 0.22 1.38 -0.23 0.00 0.00 0.00 0.00 44.72 46.09 1x5n s GLY 28 CO 0.03 1.13 1.34 -2.27 0.00 0.00 0.00 173.10 173.33 1x5n s LEU 29 N -0.23 3.93 -0.22 0.66 2.96 -1.26 -4.18 118.68 120.35 1x5n s LEU 29 Ca -0.04 2.73 0.21 0.00 -0.22 0.00 0.00 54.13 56.81 1x5n s LEU 29 Cb -0.03 -4.19 0.49 0.00 0.50 0.00 0.00 46.19 42.95 1x5n s LEU 29 CO 0.03 -1.39 1.13 0.61 -1.32 0.00 0.00 176.35 175.41 1x5n n GLY 30 N 0.66 2.31 3.16 7.98 0.00 -1.26 -4.90 105.19 113.14 1x5n n GLY 30 Ca 0.09 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.68 6.04 0.06 0.00 0.15 0.35 -4.95 113.70 114.66 1x5n s SER 32 Ca 0.05 0.33 0.04 0.00 0.70 0.00 0.00 55.95 57.07 1x5n s SER 32 Cb -0.07 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.27 1x5n s SER 32 CO 0.00 0.35 0.00 0.27 1.20 0.00 0.00 173.24 175.06 1x5n s ILE 33 N -0.68 4.08 0.01 6.45 -4.36 -1.26 0.95 121.20 126.39 1x5n s ILE 33 Ca 0.12 -0.84 0.01 0.00 -0.26 0.00 0.00 60.65 59.68 1x5n s ILE 33 Cb -0.12 -2.90 -0.01 0.00 1.25 0.00 0.00 42.46 40.69 1x5n s ILE 33 CO 0.02 0.21 -0.03 -0.44 0.24 0.00 0.00 174.94 174.95 1x5n s SER 34 N -2.04 0.28 0.39 4.36 0.01 0.17 -4.82 113.70 112.04 1x5n s SER 34 Ca 0.24 -0.17 -0.19 0.00 1.31 0.00 0.00 55.95 57.13 1x5n s SER 34 Cb -0.12 0.01 -0.10 0.00 0.21 0.00 0.00 66.02 66.02 1x5n s SER 34 CO 0.16 -0.06 0.88 -0.55 0.41 0.00 0.00 173.24 174.07 1x5n s SER 35 N -0.46 6.90 0.65 2.44 0.15 -1.26 -1.02 113.70 121.10 1x5n s SER 35 Ca -0.04 1.56 0.00 0.00 0.70 0.00 0.00 55.95 58.18 1x5n s SER 35 Cb -0.03 -2.49 0.09 0.00 -1.71 0.00 0.00 66.02 61.88 1x5n s SER 35 CO -0.00 -0.30 0.90 -0.83 1.20 0.00 0.00 173.24 174.21 1x5n s GLY 36 N -2.18 1.78 0.26 9.45 0.00 -0.79 -4.93 107.32 110.91 1x5n s GLY 36 Ca 0.59 -1.58 -0.04 0.00 0.00 0.00 0.00 44.72 43.68 1x5n s GLY 36 CO 0.15 -1.13 0.29 -1.55 0.00 0.00 0.00 173.10 170.85 1x5n n PRO 37 N -2.62 -0.91 0.13 2.90 -0.04 -1.12 -4.47 135.00 128.88 1x5n n PRO 37 Ca 0.12 -0.45 -0.02 0.00 -0.04 0.00 0.00 63.50 63.12 1x5n n PRO 37 Cb 0.60 -0.35 0.16 0.00 -0.04 0.00 0.00 33.50 33.87 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 -1.49 1.45 0.01 0.52 6.09 -1.99 0.64 117.51 122.74 1x5n h ILE 38 Ca -0.10 -2.13 -0.19 0.00 -1.37 0.00 0.00 64.86 61.07 1x5n h ILE 38 Cb 0.29 2.15 -0.02 0.00 0.47 0.00 0.00 36.82 39.70 1x5n h ILE 38 CO 0.07 0.61 -0.89 0.06 -3.07 0.00 0.00 178.15 174.93 1x5n h GLN 39 N 0.01 0.07 -2.03 2.19 3.07 -2.06 -3.35 115.11 113.00 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 1.11 0.03 -0.40 0.00 0.08 0.00 0.00 27.48 28.29 1x5n h GLN 39 CO 0.08 0.91 -1.11 1.17 0.09 0.00 0.00 178.83 179.97 1x5n n LYS 40 N -3.55 1.19 -2.53 0.06 3.00 -1.10 -5.11 118.16 110.11 1x5n n LYS 40 Ca -0.02 -3.54 -0.36 0.00 -0.00 0.00 0.00 58.31 54.40 1x5n n LYS 40 Cb 0.83 -1.69 -0.04 0.00 0.00 0.00 0.00 35.03 34.14 1x5n n LYS 40 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1x5n s PRO 41 N -2.31 4.12 0.00 1.64 0.04 0.22 -2.78 135.00 135.94 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 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1x5n s PRO 41 CO -0.09 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1x5n n GLY 42 N 0.28 -0.19 3.25 0.56 0.00 -1.26 -4.85 105.19 102.99 1x5n n GLY 42 Ca 0.05 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.74 3.01 0.02 -0.61 -1.09 -1.26 -1.88 121.20 116.65 1x5n s ILE 43 Ca 0.00 -0.71 0.05 0.00 -2.23 0.00 0.00 60.65 57.76 1x5n s ILE 43 Cb 0.00 -2.40 -0.02 0.00 -1.58 0.00 0.00 42.46 38.47 1x5n s ILE 43 CO 0.00 0.38 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.59 1x5n s PHE 44 N 1.41 1.28 0.59 3.97 0.40 -0.19 0.11 117.98 125.55 1x5n s PHE 44 Ca 0.04 -0.30 -0.19 0.00 -0.60 0.00 0.00 56.93 55.88 1x5n s PHE 44 Cb -0.15 -0.79 -0.04 0.00 0.51 0.00 0.00 43.02 42.56 1x5n s PHE 44 CO -0.05 0.01 1.20 0.42 0.70 0.00 0.00 175.22 177.50 1x5n s ILE 45 N -0.61 2.66 -0.01 0.64 1.01 -1.16 0.43 121.20 124.15 1x5n s ILE 45 Ca 0.04 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.09 1x5n s ILE 45 Cb -0.07 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.24 1x5n s ILE 45 CO 0.00 -0.09 -0.01 -1.54 0.00 0.00 0.00 174.94 173.31 1x5n n SER 46 N -1.59 3.76 -3.60 3.58 3.41 0.27 -3.30 113.62 116.15 1x5n n SER 46 Ca 0.13 -0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.58 1x5n n SER 46 Cb 0.50 -0.02 -0.07 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 -2.02 -0.49 -0.15 7.33 5.65 -1.17 -4.85 115.29 119.59 1x5n s HIS 47 Ca -0.01 0.81 -0.09 0.00 0.25 0.00 0.00 55.06 56.01 1x5n s HIS 47 Cb 0.00 0.31 0.05 0.00 -1.18 0.00 0.00 32.58 31.76 1x5n s HIS 47 CO 0.02 -0.54 0.37 0.54 -0.65 0.00 0.00 174.74 174.48 1x5n s VAL 48 N -1.34 -0.02 0.38 0.89 0.11 -1.26 0.13 120.40 119.29 1x5n s VAL 48 Ca -0.11 0.08 -0.26 0.00 -2.93 0.00 0.00 61.98 58.76 1x5n s VAL 48 Cb -0.02 -0.54 -0.09 0.00 -1.53 0.00 0.00 36.38 34.20 1x5n s VAL 48 CO 0.07 0.03 1.18 -0.54 -3.33 0.00 0.00 175.10 172.51 1x5n s LYS 49 N 1.04 4.13 -1.16 1.54 1.02 -0.26 -4.88 119.74 121.17 1x5n s LYS 49 Ca -0.07 1.88 -0.13 0.00 0.02 0.00 0.00 55.97 57.67 1x5n s LYS 49 Cb -0.07 -2.76 -0.07 0.00 -0.52 0.00 0.00 37.83 34.42 1x5n s LYS 49 CO -0.08 -0.26 2.27 -0.35 -0.92 0.00 0.00 175.35 176.00 1x5n n PRO 50 N 0.24 2.45 0.00 -1.68 -0.04 -1.26 -2.90 135.00 131.81 1x5n n PRO 50 Ca 0.03 -2.00 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 1x5n n PRO 50 Cb 0.46 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 1x5n n PRO 50 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x5n n GLY 51 N 4.02 0.00 0.00 0.55 0.00 -1.26 -5.07 105.19 103.43 1x5n n GLY 51 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 0.05 0.16 1.61 3.41 -1.14 -4.94 113.62 112.77 1x5n n SER 52 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1x5n n SER 52 Cb 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.07 1.04 7.12 -1.90 -3.08 115.31 118.56 1x5n h LEU 53 Ca 0.00 -0.01 -0.38 0.00 0.13 0.00 0.00 57.88 57.63 1x5n h LEU 53 Cb 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.09 1x5n h LEU 53 CO 0.00 0.00 -2.20 -1.20 -0.13 0.00 0.00 178.44 174.91 1x5n n SER 54 N -2.86 2.04 0.09 1.25 7.64 -1.26 -4.14 113.62 116.39 1x5n n SER 54 Ca 0.02 0.06 0.05 0.00 1.01 0.00 0.00 58.87 60.01 1x5n n SER 54 Cb 0.53 -0.66 0.48 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.06 1.76 -0.25 -0.43 0.00 -1.76 0.72 119.26 119.37 1x5n h ALA 55 Ca -0.49 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1x5n h ALA 55 Cb 1.98 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1x5n h ALA 55 CO 0.01 0.20 0.07 1.05 0.00 0.00 0.00 179.25 180.59 1x5n h GLU 56 N 0.35 0.35 -0.02 0.00 4.11 -1.69 0.20 114.58 117.88 1x5n h GLU 56 Ca 0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1x5n h GLU 56 Cb 0.02 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1x5n h GLU 56 CO -0.02 0.32 -0.23 1.33 0.07 0.00 0.00 179.01 180.48 1x5n n VAL 57 N -4.41 0.00 -1.73 -1.06 0.24 -0.14 -4.93 118.33 106.30 1x5n n VAL 57 Ca 0.01 -0.27 -0.00 0.00 -2.04 0.00 0.00 64.34 62.04 1x5n n VAL 57 Cb 0.15 0.91 -0.00 0.00 -1.47 0.00 0.00 33.84 33.43 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 1.34 0.37 3.76 7.63 0.00 0.06 -5.01 105.19 113.34 1x5n n GLY 58 Ca 0.13 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.04 4.44 0.26 0.99 1.43 0.23 -4.94 118.68 121.05 1x5n s LEU 59 Ca 0.00 2.58 0.01 0.00 -1.03 0.00 0.00 54.13 55.69 1x5n s LEU 59 Cb 0.00 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 1x5n s LEU 59 CO 0.00 -0.48 0.11 -1.61 0.23 0.00 0.00 176.35 174.60 1x5n s GLU 60 N -1.37 1.41 0.31 1.70 2.02 -1.26 -4.42 118.70 117.10 1x5n s GLU 60 Ca 0.50 -1.77 -0.29 0.00 0.02 0.00 0.00 54.97 53.43 1x5n s GLU 60 Cb -0.38 -0.14 -0.11 0.00 0.10 0.00 0.00 34.13 33.60 1x5n s GLU 60 CO 0.48 -0.34 1.50 0.42 0.02 0.00 0.00 175.26 177.34 1x5n s ILE 61 N -3.80 2.24 0.00 -1.63 1.01 -1.26 -2.66 121.20 115.10 1x5n s ILE 61 Ca 0.38 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.25 1x5n s ILE 61 Cb 0.07 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1x5n s ILE 61 CO 0.14 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1x5n n GLY 62 N 1.49 3.11 3.51 6.18 0.00 -1.21 -4.77 105.19 113.50 1x5n n GLY 62 Ca 0.05 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 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 0.52 0.47 -4.74 1.61 8.00 -1.09 -2.72 116.55 118.60 1x5n n ASP 63 Ca 0.00 -0.20 -0.40 0.00 0.71 0.00 0.00 54.79 54.90 1x5n n ASP 63 Cb 0.00 -1.03 -0.05 0.00 -0.02 0.00 0.00 41.12 40.02 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 8.50 4.58 -0.42 -1.24 0.74 -1.26 -2.99 119.66 127.57 1x5n s GLN 64 Ca 1.25 1.22 -0.23 0.00 0.05 0.00 0.00 55.36 57.65 1x5n s GLN 64 Cb -0.90 -3.36 0.02 0.00 1.10 0.00 0.00 33.01 29.87 1x5n s GLN 64 CO 0.43 0.27 0.77 0.42 -0.55 0.00 0.00 175.29 176.63 1x5n s ILE 65 N -0.08 4.69 -0.05 -2.34 1.01 0.31 -3.30 121.20 121.42 1x5n s ILE 65 Ca 0.42 0.55 0.20 0.00 0.00 0.00 0.00 60.65 61.82 1x5n s ILE 65 Cb -0.22 -4.28 -0.31 0.00 0.01 0.00 0.00 42.46 37.67 1x5n s ILE 65 CO 0.26 -0.62 0.39 1.33 0.00 0.00 0.00 174.94 176.30 1x5n n VAL 66 N 6.01 0.22 -3.70 2.92 0.24 -0.91 -4.13 118.33 118.98 1x5n n VAL 66 Ca 0.02 -0.53 -0.13 0.00 -2.04 0.00 0.00 64.34 61.66 1x5n n VAL 66 Cb 0.48 -0.06 -0.07 0.00 -1.47 0.00 0.00 33.84 32.72 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 -3.28 0.82 -0.20 7.34 2.12 -1.16 -1.70 118.70 122.64 1x5n s GLU 67 Ca -0.08 -0.26 -0.07 0.00 0.36 0.00 0.00 54.97 54.92 1x5n s GLU 67 Cb 0.12 0.37 0.09 0.00 0.26 0.00 0.00 34.13 34.97 1x5n s GLU 67 CO 0.85 -0.26 0.42 0.08 -0.54 0.00 0.00 175.26 175.81 1x5n s VAL 68 N -1.92 -0.65 -1.04 3.70 1.01 -1.00 0.15 120.40 120.64 1x5n s VAL 68 Ca -0.09 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1x5n s VAL 68 Cb -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1x5n s VAL 68 CO 0.01 0.06 0.00 -3.20 0.00 0.00 0.00 175.10 171.98 1x5n n ASN 69 N 5.39 -3.69 0.00 3.32 2.85 0.50 0.17 115.26 123.81 1x5n n ASN 69 Ca -0.08 0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 1x5n n ASN 69 Cb 0.49 -3.18 0.00 0.00 1.24 0.00 0.00 39.78 38.33 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 -0.71 0.59 3.95 8.20 0.00 -1.26 -4.90 105.19 111.06 1x5n n GLY 70 Ca -0.14 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 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 5.20 -1.02 1.61 1.01 0.44 -5.03 120.40 120.60 1x5n s VAL 71 Ca 0.00 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 1x5n s VAL 71 Cb 0.00 -3.84 0.20 0.00 0.00 0.00 0.00 36.38 32.74 1x5n s VAL 71 CO 0.00 -0.38 1.12 -0.62 0.00 0.00 0.00 175.10 175.22 1x5n s ASP 72 N -3.84 6.94 -0.18 3.32 -1.08 -1.26 -2.39 116.67 118.18 1x5n s ASP 72 Ca 0.37 -2.81 0.04 0.00 -0.52 0.00 0.00 52.55 49.63 1x5n s ASP 72 Cb -0.10 -2.31 0.35 0.00 -1.46 0.00 0.00 42.92 39.40 1x5n s ASP 72 CO 0.32 -0.68 1.32 0.49 0.52 0.00 0.00 175.17 177.13 1x5n n PHE 73 N 4.81 1.31 -0.02 -5.34 3.01 -0.69 -4.12 117.46 116.42 1x5n n PHE 73 Ca 0.25 -0.85 -0.16 0.00 1.01 0.00 0.00 57.45 57.69 1x5n n PHE 73 Cb 0.45 -0.48 -0.13 0.00 -0.01 0.00 0.00 39.48 39.30 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 1.02 0.20 -1.30 4.37 0.87 -1.73 -3.38 113.55 113.60 1x5n h SER 74 Ca 0.19 -0.95 -0.53 0.00 -1.23 0.00 0.00 61.79 59.27 1x5n h SER 74 Cb 1.65 -0.06 -0.42 0.00 -0.44 0.00 0.00 62.40 63.13 1x5n h SER 74 CO 0.43 1.13 -0.84 -0.46 -0.53 0.00 0.00 176.83 176.56 1x5n n ASN 75 N -4.43 4.03 -1.97 6.23 0.23 -1.26 -4.09 115.26 114.00 1x5n n ASN 75 Ca -0.11 -3.48 0.00 0.00 -0.53 0.00 0.00 54.58 50.45 1x5n n ASN 75 Cb 0.60 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 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 -0.43 0.00 -4.36 -4.53 4.77 -1.26 -5.06 117.00 106.12 1x5n n LEU 76 Ca 0.33 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.12 1x5n n LEU 76 Cb 0.73 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.72 1x5n n LEU 76 CO 0.32 -0.39 -0.23 -0.62 -1.33 0.00 0.00 177.39 175.14 1x5n s ASP 77 N -1.00 1.64 0.00 -1.43 2.15 -1.26 -4.83 116.67 111.94 1x5n s ASP 77 Ca 0.00 -1.47 0.19 0.00 0.43 0.00 0.00 52.55 51.70 1x5n s ASP 77 Cb 0.00 0.23 0.94 0.00 -0.30 0.00 0.00 42.92 43.79 1x5n s ASP 77 CO 0.00 -0.78 1.57 1.57 -0.17 0.00 0.00 175.17 177.36 1x5n n HIS 78 N -0.58 0.00 -0.07 -5.34 -0.00 -1.26 0.50 115.22 108.47 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 -0.29 -0.07 0.00 -0.00 0.00 0.00 29.99 30.28 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 -1.29 0.86 0.10 1.57 4.76 -1.26 -3.94 118.16 118.95 1x5n n LYS 79 Ca 0.09 0.06 -0.16 0.00 -2.87 0.00 0.00 58.31 55.42 1x5n n LYS 79 Cb 0.15 -1.29 -0.11 0.00 -1.84 0.00 0.00 35.03 31.94 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 0.35 -0.02 1.97 5.08 -1.89 0.26 114.58 120.32 1x5n h GLU 80 Ca -0.31 -0.51 -0.16 0.00 -1.00 0.00 0.00 59.36 57.38 1x5n h GLU 80 Cb 1.55 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.96 1x5n h GLU 80 CO -0.03 1.21 -0.70 0.00 -1.00 0.00 0.00 179.01 178.48 1x5n h ALA 81 N 0.59 0.77 0.21 3.43 0.00 -0.20 -0.62 119.26 123.44 1x5n h ALA 81 Ca -0.13 -0.62 -0.33 0.00 0.00 0.00 0.00 54.91 53.83 1x5n h ALA 81 Cb 1.86 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.58 1x5n h ALA 81 CO 0.20 0.83 -1.55 0.28 0.00 0.00 0.00 179.25 179.01 1x5n h VAL 82 N 0.09 1.19 -0.74 0.00 2.07 -1.68 -1.77 116.25 115.40 1x5n h VAL 82 Ca -0.02 -2.69 -0.06 0.00 0.82 0.00 0.00 66.70 64.75 1x5n h VAL 82 Cb 1.25 2.92 -0.03 0.00 -1.52 0.00 0.00 31.29 33.91 1x5n h VAL 82 CO 0.10 0.83 0.24 -1.13 0.02 0.00 0.00 177.57 177.64 1x5n h ASN 83 N 0.12 1.08 0.37 0.57 -1.24 -0.45 1.47 115.58 117.50 1x5n h ASN 83 Ca -0.27 -0.20 -0.17 0.00 0.71 0.00 0.00 56.30 56.37 1x5n h ASN 83 Cb 2.12 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 40.88 1x5n h ASN 83 CO 0.23 0.99 -0.70 0.58 -1.29 0.00 0.00 177.43 177.25 1x5n h VAL 84 N 1.10 1.41 -0.01 2.57 2.07 -1.19 0.40 116.25 122.60 1x5n h VAL 84 Ca 0.24 -2.16 -0.22 0.00 0.82 0.00 0.00 66.70 65.39 1x5n h VAL 84 Cb 0.30 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1x5n h VAL 84 CO -0.01 0.64 -0.91 -0.07 0.02 0.00 0.00 177.57 177.24 1x5n h LEU 85 N 0.20 0.49 -0.52 2.57 3.38 -0.72 -2.93 115.31 117.78 1x5n h LEU 85 Ca -0.02 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1x5n h LEU 85 Cb 1.25 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1x5n h LEU 85 CO 0.11 1.18 -0.15 2.29 0.09 0.00 0.00 178.44 181.95 1x5n n LYS 86 N -3.74 0.99 0.41 1.13 2.85 0.50 -4.15 118.16 116.15 1x5n n LYS 86 Ca -0.06 -0.52 -0.20 0.00 -1.05 0.00 0.00 58.31 56.49 1x5n n LYS 86 Cb 0.82 -1.49 -0.10 0.00 -0.65 0.00 0.00 35.03 33.61 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 1.26 -1.26 -2.94 -5.58 0.87 0.00 -3.46 113.55 102.44 1x5n h SER 87 Ca 0.00 0.07 -0.53 0.00 -1.23 0.00 0.00 61.79 60.10 1x5n h SER 87 Cb 0.45 0.37 -0.13 0.00 -0.44 0.00 0.00 62.40 62.65 1x5n h SER 87 CO 0.00 -0.74 -0.56 -0.55 -0.53 0.00 0.00 176.83 174.45 1x5n s SER 88 N -4.20 2.72 -0.11 6.23 0.15 -1.26 -5.08 113.70 112.15 1x5n s SER 88 Ca -0.19 -1.54 -0.04 0.00 0.70 0.00 0.00 55.95 54.88 1x5n s SER 88 Cb 0.03 0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 64.55 1x5n s SER 88 CO 0.60 -0.78 0.05 0.03 1.20 0.00 0.00 173.24 174.34 1x5n h ARG 89 N 1.90 0.00 -6.00 5.44 2.47 -1.88 -3.44 114.38 112.86 1x5n h ARG 89 Ca -0.39 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 57.75 1x5n h ARG 89 Cb 1.26 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.50 1x5n h ARG 89 CO 0.64 0.11 0.62 -1.12 0.56 0.00 0.00 179.97 180.78 1x5n s SER 90 N -5.66 6.85 -0.00 7.04 0.01 -1.25 -2.49 113.70 118.20 1x5n s SER 90 Ca -0.04 0.96 -0.01 0.00 1.31 0.00 0.00 55.95 58.17 1x5n s SER 90 Cb 0.00 -2.48 -0.00 0.00 0.21 0.00 0.00 66.02 63.75 1x5n s SER 90 CO 0.10 -0.70 0.02 -0.76 0.41 0.00 0.00 173.24 172.31 1x5n s LEU 91 N 3.21 1.97 -0.54 2.44 1.43 0.15 -4.99 118.68 122.37 1x5n s LEU 91 Ca 0.39 -0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 53.19 1x5n s LEU 91 Cb -0.14 0.14 0.13 0.00 0.03 0.00 0.00 46.19 46.35 1x5n s LEU 91 CO 0.12 -0.13 0.49 -0.89 0.23 0.00 0.00 176.35 176.17 1x5n s THR 92 N -0.56 5.19 -0.02 5.49 2.01 -1.26 0.14 115.64 126.64 1x5n s THR 92 Ca -0.06 -1.48 -0.19 0.00 0.31 0.00 0.00 61.69 60.26 1x5n s THR 92 Cb -0.04 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.10 1x5n s THR 92 CO -0.00 -0.85 0.55 -0.63 -0.69 0.00 0.00 174.62 173.00 1x5n s ILE 93 N 1.60 4.96 -0.35 1.82 1.01 0.24 0.19 121.20 130.66 1x5n s ILE 93 Ca 0.03 1.15 -0.00 0.00 0.00 0.00 0.00 60.65 61.82 1x5n s ILE 93 Cb -0.30 -3.88 0.09 0.00 0.01 0.00 0.00 42.46 38.38 1x5n s ILE 93 CO 0.03 0.43 0.09 -0.44 0.00 0.00 0.00 174.94 175.05 1x5n s SER 94 N -0.24 4.98 0.39 3.58 0.01 0.12 0.19 113.70 122.74 1x5n s SER 94 Ca 0.29 -1.83 0.08 0.00 1.31 0.00 0.00 55.95 55.80 1x5n s SER 94 Cb -0.18 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.33 1x5n s SER 94 CO 0.16 -0.40 0.53 0.27 0.41 0.00 0.00 173.24 174.20 1x5n s ILE 95 N 1.10 3.33 -0.37 1.44 -4.36 -0.04 -2.14 121.20 120.17 1x5n s ILE 95 Ca 0.04 -1.01 0.06 0.00 -0.26 0.00 0.00 60.65 59.48 1x5n s ILE 95 Cb -0.21 -3.13 0.55 0.00 1.25 0.00 0.00 42.46 40.93 1x5n s ILE 95 CO -0.04 -0.05 1.64 0.52 0.24 0.00 0.00 174.94 177.24 1x5n n VAL 96 N -1.77 2.84 -3.01 8.37 0.31 -1.21 0.61 118.33 124.48 1x5n n VAL 96 Ca 0.05 -2.60 -0.01 0.00 -0.01 0.00 0.00 64.34 61.77 1x5n n VAL 96 Cb 0.59 -0.47 -0.01 0.00 -0.91 0.00 0.00 33.84 33.04 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 -1.10 -2.01 -3.80 3.52 0.00 -1.26 -3.52 120.51 112.34 1x5n n ALA 97 Ca 0.44 0.42 -0.34 0.00 0.00 0.00 0.00 53.44 53.96 1x5n n ALA 97 Cb 1.21 -1.19 0.03 0.00 0.00 0.00 0.00 19.45 19.50 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 1.80 -2.49 0.05 0.00 0.00 -1.26 -4.91 120.51 113.70 1x5n n ALA 98 Ca -0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 53.44 53.04 1x5n n ALA 98 Cb 0.26 -3.49 -0.01 0.00 0.00 0.00 0.00 19.45 16.21 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 0.99 -0.78 -1.56 0.00 0.00 -1.58 -3.34 119.26 112.98 1x5n h ALA 99 Ca -0.67 -0.03 -0.74 0.00 0.00 0.00 0.00 54.91 53.47 1x5n h ALA 99 Cb 1.37 0.05 -0.32 0.00 0.00 0.00 0.00 17.79 18.90 1x5n h ALA 99 CO 0.51 -0.77 0.53 0.41 0.00 0.00 0.00 179.25 179.93 1x5n n GLY 100 N -0.30 5.99 0.15 0.00 0.00 -1.10 -4.72 105.19 105.21 1x5n n GLY 100 Ca -0.02 -2.64 -0.00 0.00 0.00 0.00 0.00 46.02 43.36 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 3.83 0.00 -1.01 1.61 2.43 -1.72 -2.95 114.38 116.57 1x5n h ARG 101 Ca 0.42 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.63 1x5n h ARG 101 Cb 0.37 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 1x5n h ARG 101 CO 1.07 0.54 0.66 1.05 -1.51 0.00 0.00 179.97 181.78 1x5n h GLU 102 N 0.00 1.23 -0.99 0.20 4.11 -1.91 1.36 114.58 118.58 1x5n h GLU 102 Ca -0.01 -0.07 0.35 0.00 0.07 0.00 0.00 59.36 59.70 1x5n h GLU 102 Cb 0.95 -0.28 -0.18 0.00 0.50 0.00 0.00 28.75 29.75 1x5n h GLU 102 CO 0.07 0.81 0.34 -0.07 0.07 0.00 0.00 179.01 180.23 1x5n h LEU 103 N 1.26 0.03 0.00 3.06 3.38 -1.91 -2.75 115.31 118.38 1x5n h LEU 103 Ca 0.40 0.26 -0.36 0.00 0.09 0.00 0.00 57.88 58.27 1x5n h LEU 103 Cb 0.02 0.34 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1x5n h LEU 103 CO -0.13 -0.37 -2.18 0.49 0.09 0.00 0.00 178.44 176.34 1x5n n PHE 104 N -5.33 0.00 -1.40 1.13 3.72 -0.67 -5.12 117.46 109.80 1x5n n PHE 104 Ca 0.31 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.89 1x5n n PHE 104 Cb 1.04 -0.82 -0.06 0.00 -0.94 0.00 0.00 39.48 38.70 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 -4.12 -2.98 -2.29 -1.08 2.81 0.46 -4.66 117.12 105.26 1x5n n MET 105 Ca -0.44 2.17 -0.42 0.00 -1.81 0.00 0.00 57.70 57.20 1x5n n MET 105 Cb 0.79 -3.57 -0.03 0.00 -0.71 0.00 0.00 33.22 29.71 1x5n n MET 105 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1x5n s THR 106 N -2.98 3.98 -0.07 2.03 -1.32 -1.26 -5.00 115.64 111.03 1x5n s THR 106 Ca 0.00 1.26 -0.04 0.00 -1.21 0.00 0.00 61.69 61.71 1x5n s THR 106 Cb 0.00 -3.81 0.03 0.00 -1.51 0.00 0.00 72.50 67.21 1x5n s THR 106 CO 0.00 -0.06 0.15 -0.62 -2.21 0.00 0.00 174.62 171.88 1x5n s ASP 107 N 2.14 -0.13 0.37 8.08 -1.08 -1.26 -5.16 116.67 119.63 1x5n s ASP 107 Ca 0.61 0.32 0.08 0.00 -0.52 0.00 0.00 52.55 53.04 1x5n s ASP 107 Cb -0.27 0.24 -0.03 0.00 -1.46 0.00 0.00 42.92 41.39 1x5n s ASP 107 CO 0.22 -0.12 0.27 -0.13 0.52 0.00 0.00 175.17 175.92 1x5n s ARG 108 N 0.90 2.50 -0.23 4.34 0.52 -1.26 -5.14 118.95 120.58 1x5n s ARG 108 Ca -0.07 -1.51 -0.20 0.00 -0.52 0.00 0.00 55.73 53.42 1x5n s ARG 108 Cb -0.09 -2.30 0.06 0.00 0.52 0.00 0.00 34.95 33.14 1x5n s ARG 108 CO -0.05 -0.03 0.61 0.45 0.02 0.00 0.00 175.30 176.30 1x5n s SER 109 N -3.99 -0.65 -0.26 0.23 0.15 -1.26 -5.13 113.70 102.79 1x5n s SER 109 Ca 0.43 1.23 -0.29 0.00 0.70 0.00 0.00 55.95 58.02 1x5n s SER 109 Cb -0.03 1.24 -0.00 0.00 -1.71 0.00 0.00 66.02 65.52 1x5n s SER 109 CO 0.25 -0.21 1.26 -0.83 1.20 0.00 0.00 173.24 174.92 1x5n s GLY 110 N 0.43 1.48 -0.06 9.45 0.00 -1.26 -4.98 107.32 112.38 1x5n s GLY 110 Ca -0.01 0.18 -0.30 0.00 0.00 0.00 0.00 44.72 44.60 1x5n s GLY 110 CO -0.01 2.52 1.22 2.56 0.00 0.00 0.00 173.10 179.40 1x5n s PRO 111 N 3.92 4.34 -0.88 2.90 0.04 -1.26 -3.69 135.00 140.37 1x5n s PRO 111 Ca 0.54 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 63.23 1x5n s PRO 111 Cb -0.17 -3.57 -0.00 0.00 0.04 0.00 0.00 34.50 30.79 1x5n s PRO 111 CO 0.20 -0.47 0.70 0.45 0.04 0.00 0.00 177.00 177.91 1x5n n SER 112 N 5.30 -6.22 -3.16 6.66 2.88 -1.26 -3.64 113.62 114.17 1x5n n SER 112 Ca 0.11 -0.61 -0.14 0.00 -1.33 0.00 0.00 58.87 56.89 1x5n n SER 112 Cb 0.46 -3.68 0.01 0.00 -0.75 0.00 0.00 64.21 60.25 1x5n n SER 112 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5n n SER 113 N -2.32 -7.02 0.00 -3.46 7.64 -1.25 -5.32 113.62 101.89 1x5n n SER 113 Ca -0.13 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1x5n n SER 113 Cb 0.59 -4.13 0.00 0.00 -1.01 0.00 0.00 64.21 59.65 1x5n n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64