#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1g n SER 2 N 0.00 -7.69 0.10 1.61 7.64 -1.26 -5.03 113.62 109.00 1x1g n SER 2 Ca 0.00 1.63 0.00 0.00 1.01 0.00 0.00 58.87 61.51 1x1g n SER 2 Cb 0.00 -4.64 0.00 0.00 -1.01 0.00 0.00 64.21 58.56 1x1g n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x1g n SER 3 N -3.02 0.05 0.00 6.43 2.88 -1.26 -5.07 113.62 113.62 1x1g n SER 3 Ca -0.03 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1x1g n SER 3 Cb 0.51 0.22 0.00 0.00 -0.75 0.00 0.00 64.21 64.19 1x1g n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1g n GLY 4 N 1.86 -0.49 3.53 0.46 0.00 -1.26 -5.17 105.19 104.12 1x1g n GLY 4 Ca 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1x1g n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x1g s SER 5 N -4.00 -0.41 0.26 1.61 1.04 -1.26 -4.77 113.70 106.17 1x1g s SER 5 Ca 0.00 0.22 0.10 0.00 0.48 0.00 0.00 55.95 56.75 1x1g s SER 5 Cb 0.00 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 1x1g s SER 5 CO 0.00 -0.54 -0.16 -0.44 0.98 0.00 0.00 173.24 173.08 1x1g s SER 6 N -1.87 3.19 -0.16 7.02 0.01 -1.26 -5.14 113.70 115.48 1x1g s SER 6 Ca 0.01 -1.06 -0.02 0.00 1.31 0.00 0.00 55.95 56.19 1x1g s SER 6 Cb -0.01 -0.24 -0.01 0.00 0.21 0.00 0.00 66.02 65.97 1x1g s SER 6 CO -0.03 -0.09 -0.10 -0.83 0.41 0.00 0.00 173.24 172.60 1x1g s GLY 7 N -3.45 1.57 0.00 3.44 0.00 -1.26 -4.81 107.32 102.81 1x1g s GLY 7 Ca 0.28 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1x1g s GLY 7 CO 0.12 0.05 0.00 1.44 0.00 0.00 0.00 173.10 174.71 1x1g n SER 8 N 4.00 0.00 -2.59 1.64 7.64 -1.26 -5.05 113.62 118.00 1x1g n SER 8 Ca -0.18 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.61 1x1g n SER 8 Cb 0.52 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.76 1x1g n SER 8 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1x1g n LEU 9 N 0.00 -4.31 -3.58 -3.43 7.94 -1.26 -5.05 117.00 107.31 1x1g n LEU 9 Ca 0.00 -0.43 -0.17 0.00 -1.11 0.00 0.00 56.01 54.30 1x1g n LEU 9 Cb 0.00 -2.21 -0.14 0.00 0.53 0.00 0.00 43.42 41.60 1x1g n LEU 9 CO 0.00 0.03 -0.20 -0.94 -1.11 0.00 0.00 177.39 175.17 1x1g s SER 10 N -3.22 1.01 0.22 1.96 1.04 -1.26 -5.15 113.70 108.30 1x1g s SER 10 Ca 0.28 0.10 0.11 0.00 0.48 0.00 0.00 55.95 56.92 1x1g s SER 10 Cb -0.04 0.40 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 1x1g s SER 10 CO 0.46 -0.28 -0.22 -0.89 0.98 0.00 0.00 173.24 173.28 1x1g s THR 11 N 2.33 2.37 0.16 2.02 2.01 -1.26 -5.04 115.64 118.23 1x1g s THR 11 Ca 0.04 -2.16 0.00 0.00 0.31 0.00 0.00 61.69 59.88 1x1g s THR 11 Cb -0.14 -2.18 0.00 0.00 0.01 0.00 0.00 72.50 70.20 1x1g s THR 11 CO -0.09 -0.23 0.00 0.55 -0.69 0.00 0.00 174.62 174.16 1x1g n VAL 12 N -0.05 0.00 -0.12 3.82 3.14 -1.26 -4.64 118.33 119.23 1x1g n VAL 12 Ca -0.10 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.21 1x1g n VAL 12 Cb 0.57 -0.22 0.01 0.00 -1.06 0.00 0.00 33.84 33.14 1x1g n VAL 12 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1x1g h GLU 13 N 0.00 0.41 -0.15 1.45 5.08 -1.96 0.19 114.58 119.59 1x1g h GLU 13 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1x1g h GLU 13 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1x1g h GLU 13 CO 0.00 0.27 0.00 1.28 -1.00 0.00 0.00 179.01 179.56 1x1g n LEU 14 N -4.90 1.33 0.04 1.33 4.77 -1.26 -3.29 117.00 115.02 1x1g n LEU 14 Ca 0.01 -0.57 0.12 0.00 -0.03 0.00 0.00 56.01 55.53 1x1g n LEU 14 Cb 0.07 -0.10 0.13 0.00 -2.33 0.00 0.00 43.42 41.19 1x1g n LEU 14 CO 0.31 0.29 0.23 -0.24 -1.33 0.00 0.00 177.39 176.65 1x1g n SER 15 N 0.11 0.64 -4.62 -1.43 2.88 0.03 -4.93 113.62 106.30 1x1g n SER 15 Ca 0.15 -0.04 -0.34 0.00 -1.33 0.00 0.00 58.87 57.31 1x1g n SER 15 Cb 0.27 0.40 0.12 0.00 -0.75 0.00 0.00 64.21 64.25 1x1g n SER 15 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1g n GLY 16 N 1.37 -0.48 3.69 0.46 0.00 -1.03 -4.89 105.19 104.31 1x1g n GLY 16 Ca 0.03 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1x1g n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x1g s THR 17 N -2.11 3.37 0.05 2.61 2.01 0.68 -4.48 115.64 117.77 1x1g s THR 17 Ca 0.70 0.84 -0.30 0.00 0.31 0.00 0.00 61.69 63.24 1x1g s THR 17 Cb -0.29 -3.54 -0.09 0.00 0.01 0.00 0.00 72.50 68.59 1x1g s THR 17 CO 0.54 0.01 1.91 -0.69 -0.69 0.00 0.00 174.62 175.70 1x1g s VAL 18 N 2.18 2.96 -0.10 3.82 1.01 -1.26 0.79 120.40 129.80 1x1g s VAL 18 Ca 0.67 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.82 1x1g s VAL 18 Cb -0.36 -3.06 -0.11 0.00 0.00 0.00 0.00 36.38 32.85 1x1g s VAL 18 CO 0.29 -0.01 0.02 1.33 0.00 0.00 0.00 175.10 176.73 1x1g n VAL 19 N 5.36 0.64 -3.73 2.92 0.24 -0.52 -4.89 118.33 118.35 1x1g n VAL 19 Ca 0.19 -0.38 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 1x1g n VAL 19 Cb 0.41 -0.77 -0.09 0.00 -1.47 0.00 0.00 33.84 31.91 1x1g n VAL 19 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1x1g s LYS 20 N -2.23 0.57 0.03 7.34 2.47 -1.17 -5.01 119.74 121.74 1x1g s LYS 20 Ca -0.06 0.37 -0.16 0.00 -1.56 0.00 0.00 55.97 54.56 1x1g s LYS 20 Cb 0.03 0.27 0.03 0.00 -1.46 0.00 0.00 37.83 36.69 1x1g s LYS 20 CO 0.37 -0.11 0.34 -0.65 0.16 0.00 0.00 175.35 175.47 1x1g s GLN 21 N -0.25 0.81 0.00 4.03 -0.21 -1.26 0.19 119.66 122.97 1x1g s GLN 21 Ca -0.04 -0.37 0.00 0.00 0.02 0.00 0.00 55.36 54.97 1x1g s GLN 21 Cb -0.03 0.36 0.00 0.00 1.00 0.00 0.00 33.01 34.33 1x1g s GLN 21 CO 0.02 -0.26 0.00 0.41 -2.12 0.00 0.00 175.29 173.34 1x1g n GLY 22 N 0.73 -0.24 3.10 3.09 0.00 -1.02 -5.01 105.19 105.84 1x1g n GLY 22 Ca -0.19 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 1x1g n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x1g s TYR 23 N -3.18 2.29 0.40 1.61 1.51 -1.26 -1.44 117.35 117.28 1x1g s TYR 23 Ca 0.00 -1.13 0.07 0.00 -1.01 0.00 0.00 57.07 55.00 1x1g s TYR 23 Cb 0.00 -1.61 -0.06 0.00 -0.11 0.00 0.00 41.96 40.18 1x1g s TYR 23 CO 0.00 -0.55 0.08 -0.51 -1.11 0.00 0.00 175.55 173.46 1x1g s LEU 24 N 0.94 2.99 -0.30 -1.29 1.43 0.13 -4.05 118.68 118.54 1x1g s LEU 24 Ca -0.06 -1.19 -0.02 0.00 -1.03 0.00 0.00 54.13 51.84 1x1g s LEU 24 Cb -0.15 -1.20 0.05 0.00 0.03 0.00 0.00 46.19 44.92 1x1g s LEU 24 CO -0.02 -0.45 -0.00 0.00 0.23 0.00 0.00 176.35 176.10 1x1g s ALA 25 N -2.63 2.81 -0.41 4.21 0.00 -0.62 0.20 121.76 125.32 1x1g s ALA 25 Ca 0.37 -1.77 -0.17 0.00 0.00 0.00 0.00 51.96 50.40 1x1g s ALA 25 Cb 0.06 -1.93 0.02 0.00 0.00 0.00 0.00 23.12 21.27 1x1g s ALA 25 CO 0.20 -1.27 0.44 0.21 0.00 0.00 0.00 175.76 175.33 1x1g s LYS 26 N 1.25 3.14 0.13 0.00 2.20 -0.85 0.14 119.74 125.74 1x1g s LYS 26 Ca -0.05 -0.72 -0.31 0.00 -0.36 0.00 0.00 55.97 54.53 1x1g s LYS 26 Cb -0.20 -3.95 -0.10 0.00 -1.51 0.00 0.00 37.83 32.07 1x1g s LYS 26 CO -0.01 -0.83 1.64 -1.14 -0.36 0.00 0.00 175.35 174.65 1x1g s GLN 27 N 2.14 4.19 0.00 4.03 0.74 -0.98 -3.74 119.66 126.04 1x1g s GLN 27 Ca 0.12 2.40 0.00 0.00 0.05 0.00 0.00 55.36 57.93 1x1g s GLN 27 Cb -0.17 -3.37 0.00 0.00 1.10 0.00 0.00 33.01 30.57 1x1g s GLN 27 CO 0.14 -0.69 0.00 0.41 -0.55 0.00 0.00 175.29 174.59 1x1g n GLY 28 N 3.92 2.26 3.65 2.59 0.00 -1.16 -4.86 105.19 111.59 1x1g n GLY 28 Ca 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 1x1g n GLY 28 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x1g s HIS 29 N 4.01 -0.10 0.00 1.61 -3.43 -1.26 -4.97 115.29 111.16 1x1g s HIS 29 Ca 0.00 -0.07 0.00 0.00 -0.80 0.00 0.00 55.06 54.19 1x1g s HIS 29 Cb 0.00 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.72 1x1g s HIS 29 CO 0.00 -0.46 0.00 1.17 -2.00 0.00 0.00 174.74 173.45 1x1g n LYS 30 N -0.43 0.00 -3.63 -0.38 0.00 -1.26 -4.74 118.16 107.72 1x1g n LYS 30 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 58.31 57.87 1x1g n LYS 30 Cb 0.62 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.54 1x1g n LYS 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1x1g s ARG 31 N 0.00 3.94 0.29 1.64 1.81 -1.26 -4.97 118.95 120.40 1x1g s ARG 31 Ca 0.00 -0.33 0.00 0.00 -1.72 0.00 0.00 55.73 53.68 1x1g s ARG 31 Cb 0.00 -3.59 0.00 0.00 -0.45 0.00 0.00 34.95 30.91 1x1g s ARG 31 CO 0.00 -0.13 0.00 1.63 -0.68 0.00 0.00 175.30 176.12 1x1g n LYS 32 N 4.89 -2.20 -0.12 3.54 4.01 -1.26 -4.78 118.16 122.24 1x1g n LYS 32 Ca -0.14 1.54 -0.23 0.00 -0.51 0.00 0.00 58.31 58.96 1x1g n LYS 32 Cb 0.52 -2.72 -0.09 0.00 -0.51 0.00 0.00 35.03 32.23 1x1g n LYS 32 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1x1g n ASN 33 N -4.31 1.87 -3.87 4.39 3.02 -1.26 -4.36 115.26 110.74 1x1g n ASN 33 Ca -0.01 0.18 -0.22 0.00 -0.03 0.00 0.00 54.58 54.50 1x1g n ASN 33 Cb 0.63 -0.62 -0.17 0.00 -0.61 0.00 0.00 39.78 39.01 1x1g n ASN 33 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1x1g s TRP 34 N -2.45 0.89 -0.07 3.10 0.52 -1.26 -3.00 118.94 116.66 1x1g s TRP 34 Ca -0.33 -0.30 0.05 0.00 0.02 0.00 0.00 56.10 55.54 1x1g s TRP 34 Cb 0.12 -0.82 -0.01 0.00 -1.15 0.00 0.00 33.47 31.60 1x1g s TRP 34 CO 0.46 -0.29 -0.23 0.15 0.02 0.00 0.00 176.95 177.07 1x1g s LYS 35 N 1.34 2.75 0.39 4.98 1.02 -1.25 -5.00 119.74 123.98 1x1g s LYS 35 Ca -0.04 -0.86 -0.26 0.00 0.02 0.00 0.00 55.97 54.84 1x1g s LYS 35 Cb -0.14 -2.26 -0.09 0.00 -0.52 0.00 0.00 37.83 34.82 1x1g s LYS 35 CO -0.02 0.34 1.19 0.08 -0.92 0.00 0.00 175.35 176.01 1x1g s VAL 36 N -0.04 3.09 -0.10 3.17 1.01 -1.26 -2.01 120.40 124.26 1x1g s VAL 36 Ca -0.07 0.93 -0.06 0.00 0.00 0.00 0.00 61.98 62.78 1x1g s VAL 36 Cb -0.15 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.74 1x1g s VAL 36 CO 0.05 0.10 0.25 -0.60 0.00 0.00 0.00 175.10 174.90 1x1g s ARG 37 N -2.23 0.24 -0.58 2.72 6.06 0.55 -4.60 118.95 121.10 1x1g s ARG 37 Ca 0.56 0.46 -0.28 0.00 -2.50 0.00 0.00 55.73 53.97 1x1g s ARG 37 Cb -0.32 -0.02 0.01 0.00 0.06 0.00 0.00 34.95 34.68 1x1g s ARG 37 CO 0.40 -0.11 1.49 0.50 -2.50 0.00 0.00 175.30 175.08 1x1g s ARG 38 N 0.82 3.18 0.14 5.12 3.52 -0.93 0.18 118.95 130.97 1x1g s ARG 38 Ca -0.06 0.45 -0.03 0.00 -0.13 0.00 0.00 55.73 55.97 1x1g s ARG 38 Cb -0.07 -4.18 -0.05 0.00 -1.56 0.00 0.00 34.95 29.09 1x1g s ARG 38 CO -0.05 -2.09 0.34 -0.06 -0.81 0.00 0.00 175.30 172.64 1x1g s PHE 39 N 6.55 3.48 -0.03 5.12 0.40 -0.52 -1.11 117.98 131.88 1x1g s PHE 39 Ca 0.54 0.45 0.01 0.00 -0.60 0.00 0.00 56.93 57.33 1x1g s PHE 39 Cb -0.11 -1.92 0.02 0.00 0.51 0.00 0.00 43.02 41.51 1x1g s PHE 39 CO 0.24 0.46 -0.03 0.54 0.70 0.00 0.00 175.22 177.12 1x1g s VAL 40 N -1.67 0.38 -0.04 -0.44 0.11 0.15 -2.43 120.40 116.47 1x1g s VAL 40 Ca 0.39 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.37 1x1g s VAL 40 Cb -0.12 -0.40 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 1x1g s VAL 40 CO 0.26 0.17 -0.05 -0.22 -3.33 0.00 0.00 175.10 171.93 1x1g s LEU 41 N 0.64 3.25 0.15 2.54 0.20 0.50 -1.92 118.68 124.03 1x1g s LEU 41 Ca -0.07 -0.04 -0.01 0.00 0.69 0.00 0.00 54.13 54.70 1x1g s LEU 41 Cb -0.11 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 1x1g s LEU 41 CO -0.00 0.33 0.08 -0.13 -0.29 0.00 0.00 176.35 176.33 1x1g s ARG 42 N -1.10 1.01 0.03 1.98 0.52 -0.45 -1.44 118.95 119.50 1x1g s ARG 42 Ca 0.15 -1.50 0.03 0.00 -0.52 0.00 0.00 55.73 53.90 1x1g s ARG 42 Cb -0.11 0.24 -0.02 0.00 0.52 0.00 0.00 34.95 35.58 1x1g s ARG 42 CO 0.04 -0.29 -0.11 -1.59 0.02 0.00 0.00 175.30 173.38 1x1g s LYS 43 N -4.08 0.73 -0.11 3.54 -2.85 0.24 -2.60 119.74 114.61 1x1g s LYS 43 Ca 0.28 -0.62 -0.05 0.00 -1.00 0.00 0.00 55.97 54.58 1x1g s LYS 43 Cb 0.07 -0.67 0.02 0.00 -2.06 0.00 0.00 37.83 35.19 1x1g s LYS 43 CO 0.05 0.16 0.10 -3.47 0.10 0.00 0.00 175.35 172.29 1x1g n ASP 44 N 2.05 -4.78 0.00 0.03 2.03 -1.26 -0.23 116.55 114.39 1x1g n ASP 44 Ca -0.18 1.10 0.11 0.00 0.52 0.00 0.00 54.79 56.35 1x1g n ASP 44 Cb 0.55 -3.44 0.61 0.00 -0.72 0.00 0.00 41.12 38.13 1x1g n ASP 44 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1x1g n PRO 45 N 1.85 0.45 -0.32 -0.67 -0.04 -1.26 -3.83 135.00 131.18 1x1g n PRO 45 Ca -0.16 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1x1g n PRO 45 Cb 0.32 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1x1g n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x1g n ALA 46 N -1.20 -2.60 -3.46 0.55 0.00 -1.25 -4.85 120.51 107.72 1x1g n ALA 46 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.43 1x1g n ALA 46 Cb 0.15 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 1x1g n ALA 46 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1x1g s PHE 47 N -0.22 -0.58 -0.21 0.00 0.08 -1.07 -4.41 117.98 111.57 1x1g s PHE 47 Ca 0.00 0.62 0.01 0.00 0.12 0.00 0.00 56.93 57.68 1x1g s PHE 47 Cb 0.00 0.50 0.05 0.00 -0.57 0.00 0.00 43.02 43.00 1x1g s PHE 47 CO 0.00 -0.76 -0.09 -1.17 -0.10 0.00 0.00 175.22 173.10 1x1g s LEU 48 N -2.18 2.33 0.20 -0.37 2.96 -1.17 -1.34 118.68 119.12 1x1g s LEU 48 Ca -0.03 -0.94 0.10 0.00 -0.22 0.00 0.00 54.13 53.03 1x1g s LEU 48 Cb -0.01 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 1x1g s LEU 48 CO -0.05 -0.16 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.63 1x1g s HIS 49 N 1.40 2.00 0.36 5.38 3.76 -0.81 -2.20 115.29 125.18 1x1g s HIS 49 Ca -0.02 -0.44 0.04 0.00 -0.15 0.00 0.00 55.06 54.49 1x1g s HIS 49 Cb -0.17 -0.95 -0.03 0.00 1.11 0.00 0.00 32.58 32.54 1x1g s HIS 49 CO -0.08 0.46 0.15 1.52 -0.85 0.00 0.00 174.74 175.95 1x1g s TYR 50 N -2.26 1.73 -0.06 1.40 1.13 -1.26 0.34 117.35 118.39 1x1g s TYR 50 Ca 0.21 -1.34 -0.17 0.00 -1.41 0.00 0.00 57.07 54.36 1x1g s TYR 50 Cb -0.05 -1.01 0.03 0.00 -1.10 0.00 0.00 41.96 39.83 1x1g s TYR 50 CO 0.09 -0.43 0.39 0.71 -2.51 0.00 0.00 175.55 173.80 1x1g s TYR 51 N -3.37 -0.32 -0.34 -3.49 1.51 -0.26 -2.04 117.35 109.04 1x1g s TYR 51 Ca 0.31 0.60 -0.25 0.00 -1.01 0.00 0.00 57.07 56.71 1x1g s TYR 51 Cb 0.04 0.15 0.01 0.00 -0.11 0.00 0.00 41.96 42.05 1x1g s TYR 51 CO 0.17 -0.38 0.89 0.34 -1.11 0.00 0.00 175.55 175.46 1x1g s ASP 52 N -0.91 6.70 0.00 2.29 2.15 -1.26 -2.19 116.67 123.44 1x1g s ASP 52 Ca -0.10 0.66 0.24 0.00 0.43 0.00 0.00 52.55 53.78 1x1g s ASP 52 Cb -0.04 -2.45 1.40 0.00 -0.30 0.00 0.00 42.92 41.53 1x1g s ASP 52 CO 0.04 -0.76 1.79 -0.81 -0.17 0.00 0.00 175.17 175.26 1x1g n PRO 53 N 6.55 0.70 0.00 4.34 -0.04 -1.26 -2.06 135.00 143.24 1x1g n PRO 53 Ca 0.06 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 1x1g n PRO 53 Cb 0.48 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.53 1x1g n PRO 53 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x1g n SER 54 N -1.03 0.69 -1.62 3.54 2.88 -1.26 -4.95 113.62 111.87 1x1g n SER 54 Ca 0.17 -0.49 -0.03 0.00 -1.33 0.00 0.00 58.87 57.19 1x1g n SER 54 Cb 0.09 0.59 -0.01 0.00 -0.75 0.00 0.00 64.21 64.13 1x1g n SER 54 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1x1g n LYS 55 N -1.58 0.62 0.00 -1.46 4.76 -0.88 -5.15 118.16 114.47 1x1g n LYS 55 Ca 0.04 -0.44 0.00 0.00 -2.87 0.00 0.00 58.31 55.04 1x1g n LYS 55 Cb 0.35 0.28 0.00 0.00 -1.84 0.00 0.00 35.03 33.82 1x1g n LYS 55 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1x1g n GLU 56 N -0.11 0.00 -0.79 1.97 1.02 -1.26 -4.84 120.64 116.63 1x1g n GLU 56 Ca -0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1x1g n GLU 56 Cb 0.08 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.48 1x1g n GLU 56 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1x1g n GLU 57 N 0.00 -1.96 -2.79 3.49 2.13 -1.26 -4.64 120.64 115.62 1x1g n GLU 57 Ca 0.00 1.56 -0.41 0.00 0.66 0.00 0.00 57.16 58.97 1x1g n GLU 57 Cb 0.00 -2.06 0.01 0.00 0.27 0.00 0.00 31.44 29.66 1x1g n GLU 57 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1x1g n ASN 58 N -2.60 6.90 0.00 4.31 3.02 -1.26 -4.92 115.26 120.71 1x1g n ASN 58 Ca -0.02 -3.59 0.00 0.00 -0.03 0.00 0.00 54.58 50.94 1x1g n ASN 58 Cb 0.30 -1.18 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1x1g n ASN 58 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1x1g n ARG 59 N 0.43 0.00 -1.59 3.52 1.74 -1.26 -5.04 116.66 114.45 1x1g n ARG 59 Ca 0.39 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 57.16 1x1g n ARG 59 Cb 0.29 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.78 1x1g n ARG 59 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1x1g s PRO 60 N -2.00 2.96 0.31 5.56 0.04 -1.26 -4.93 135.00 135.67 1x1g s PRO 60 Ca 0.00 0.96 0.07 0.00 0.04 0.00 0.00 61.00 62.07 1x1g s PRO 60 Cb 0.00 -1.99 0.50 0.00 0.04 0.00 0.00 34.50 33.04 1x1g s PRO 60 CO 0.00 -1.08 1.73 0.28 0.04 0.00 0.00 177.00 177.97 1x1g h VAL 61 N -0.67 1.29 0.00 -0.36 2.07 -1.77 -3.48 116.25 113.33 1x1g h VAL 61 Ca -0.44 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 65.67 1x1g h VAL 61 Cb 1.21 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1x1g h VAL 61 CO 0.57 0.42 0.00 0.61 0.02 0.00 0.00 177.57 179.19 1x1g n GLY 62 N -0.29 2.55 0.00 2.17 0.00 -1.26 -5.08 105.19 103.28 1x1g n GLY 62 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1x1g n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1g n GLY 63 N 0.00 4.76 3.17 -0.02 0.00 -1.26 -4.36 105.19 107.49 1x1g n GLY 63 Ca 0.00 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 1x1g n GLY 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x1g s PHE 64 N -1.11 1.04 0.78 1.61 -0.71 -0.93 -5.00 117.98 113.65 1x1g s PHE 64 Ca 0.00 -0.68 -0.11 0.00 -1.04 0.00 0.00 56.93 55.11 1x1g s PHE 64 Cb 0.00 -0.57 0.06 0.00 -1.21 0.00 0.00 43.02 41.30 1x1g s PHE 64 CO 0.00 -0.01 1.09 -1.54 -1.34 0.00 0.00 175.22 173.41 1x1g s SER 65 N -2.50 4.48 -0.09 1.98 1.04 -1.26 -3.03 113.70 114.32 1x1g s SER 65 Ca 0.06 1.74 0.02 0.00 0.48 0.00 0.00 55.95 58.25 1x1g s SER 65 Cb -0.02 -2.46 -0.07 0.00 0.10 0.00 0.00 66.02 63.57 1x1g s SER 65 CO -0.00 -2.04 -0.05 0.18 0.98 0.00 0.00 173.24 172.30 1x1g n LEU 66 N -3.52 2.14 -0.34 2.42 4.77 -1.26 -4.61 117.00 116.60 1x1g n LEU 66 Ca 0.09 -0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 55.94 1x1g n LEU 66 Cb 0.53 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 1x1g n LEU 66 CO 0.54 0.53 0.42 0.54 -1.33 0.00 0.00 177.39 178.09 1x1g n ARG 67 N -2.64 -0.35 -2.13 3.23 3.00 -1.26 -0.03 116.66 116.48 1x1g n ARG 67 Ca -0.16 1.28 -0.38 0.00 -0.01 0.00 0.00 57.85 58.58 1x1g n ARG 67 Cb 0.70 -1.88 0.01 0.00 0.00 0.00 0.00 32.46 31.29 1x1g n ARG 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x1g n GLY 68 N -1.20 5.49 1.30 -0.13 0.00 -1.26 -4.04 105.19 105.34 1x1g n GLY 68 Ca 0.02 -2.32 -0.07 0.00 0.00 0.00 0.00 46.02 43.64 1x1g n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x1g n SER 69 N 0.37 -0.38 -3.94 1.61 7.64 0.96 -1.65 113.62 118.24 1x1g n SER 69 Ca 0.53 -1.83 -0.09 0.00 1.01 0.00 0.00 58.87 58.49 1x1g n SER 69 Cb 0.30 0.79 -0.05 0.00 -1.01 0.00 0.00 64.21 64.24 1x1g n SER 69 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x1g s LEU 70 N 0.00 0.32 -0.10 -3.43 1.43 0.49 -4.44 118.68 112.94 1x1g s LEU 70 Ca 0.14 -0.82 -0.18 0.00 -1.03 0.00 0.00 54.13 52.24 1x1g s LEU 70 Cb 0.00 1.82 0.04 0.00 0.03 0.00 0.00 46.19 48.09 1x1g s LEU 70 CO 0.10 -1.11 0.45 0.54 0.23 0.00 0.00 176.35 176.56 1x1g s VAL 71 N -3.98 0.02 0.22 -1.59 0.11 -1.26 -1.36 120.40 112.56 1x1g s VAL 71 Ca 0.19 -0.16 -0.20 0.00 -2.93 0.00 0.00 61.98 58.88 1x1g s VAL 71 Cb -0.01 -0.70 0.03 0.00 -1.53 0.00 0.00 36.38 34.18 1x1g s VAL 71 CO 0.06 -0.09 0.60 -0.44 -3.33 0.00 0.00 175.10 171.90 1x1g s SER 72 N -0.52 -0.31 0.47 3.54 0.01 0.26 -4.93 113.70 112.22 1x1g s SER 72 Ca -0.06 -0.45 -0.03 0.00 1.31 0.00 0.00 55.95 56.71 1x1g s SER 72 Cb -0.03 0.63 -0.02 0.00 0.21 0.00 0.00 66.02 66.81 1x1g s SER 72 CO 0.03 -1.14 0.75 0.00 0.41 0.00 0.00 173.24 173.29 1x1g s ALA 73 N -3.87 3.50 0.00 1.44 0.00 -1.26 0.13 121.76 121.70 1x1g s ALA 73 Ca 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1x1g s ALA 73 Cb -0.03 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1x1g s ALA 73 CO -0.01 -0.39 0.00 1.28 0.00 0.00 0.00 175.76 176.64 1x1g n LEU 74 N -2.21 0.00 -1.33 0.00 4.77 -1.18 -4.70 117.00 112.36 1x1g n LEU 74 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1x1g n LEU 74 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1x1g n LEU 74 CO 0.51 -0.05 0.00 1.21 -1.33 0.00 0.00 177.39 177.73 1x1g n GLU 75 N -0.11 0.00 -2.85 3.23 2.13 -1.26 -4.85 120.64 116.93 1x1g n GLU 75 Ca 0.00 0.07 -0.44 0.00 0.66 0.00 0.00 57.16 57.46 1x1g n GLU 75 Cb 0.00 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 30.39 1x1g n GLU 75 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1x1g n ASP 76 N -1.25 5.16 -3.09 4.31 2.03 -1.25 -4.48 116.55 117.98 1x1g n ASP 76 Ca 0.00 -2.98 -0.02 0.00 0.52 0.00 0.00 54.79 52.31 1x1g n ASP 76 Cb 0.44 -1.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 1x1g n ASP 76 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1x1g n ASN 77 N 5.94 -7.64 -2.08 1.67 4.13 -1.26 -4.67 115.26 111.35 1x1g n ASN 77 Ca 0.39 -0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.58 1x1g n ASN 77 Cb 0.43 -5.10 0.00 0.00 -1.54 0.00 0.00 39.78 33.57 1x1g n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x1g n GLY 78 N -1.64 -5.32 1.80 7.41 0.00 -1.26 -4.95 105.19 101.24 1x1g n GLY 78 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1x1g n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x1g n VAL 79 N 1.63 -7.59 -0.29 1.61 0.31 -1.26 -5.01 118.33 107.73 1x1g n VAL 79 Ca 0.00 2.69 0.00 0.00 -0.01 0.00 0.00 64.34 67.02 1x1g n VAL 79 Cb 0.00 -3.88 0.00 0.00 -0.91 0.00 0.00 33.84 29.05 1x1g n VAL 79 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1x1g n PRO 80 N 0.83 0.41 -2.81 5.55 -0.04 -1.26 -3.96 135.00 133.72 1x1g n PRO 80 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1x1g n PRO 80 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 1x1g n PRO 80 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1x1g s THR 81 N -0.39 4.72 -0.11 0.52 2.01 -1.26 -4.49 115.64 116.65 1x1g s THR 81 Ca 0.00 1.56 -0.10 0.00 0.31 0.00 0.00 61.69 63.47 1x1g s THR 81 Cb 0.00 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.30 1x1g s THR 81 CO 0.00 -0.24 0.16 0.61 -0.69 0.00 0.00 174.62 174.47 1x1g n GLY 82 N 3.84 0.05 2.92 4.40 0.00 -1.26 -4.99 105.19 110.15 1x1g n GLY 82 Ca 0.07 0.28 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 1x1g n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x1g s VAL 83 N -1.03 -0.03 0.37 1.61 1.01 -1.26 -5.13 120.40 115.94 1x1g s VAL 83 Ca 0.09 0.10 -0.25 0.00 0.00 0.00 0.00 61.98 61.93 1x1g s VAL 83 Cb -0.01 -0.16 -0.13 0.00 0.00 0.00 0.00 36.38 36.08 1x1g s VAL 83 CO 0.21 0.04 0.81 0.29 0.00 0.00 0.00 175.10 176.46 1x1g n LYS 84 N 3.65 0.97 0.00 2.72 4.76 -1.26 -4.30 118.16 124.70 1x1g n LYS 84 Ca -0.20 0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1x1g n LYS 84 Cb 0.55 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1x1g n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x1g n GLY 85 N 1.46 1.87 2.84 0.72 0.00 -1.26 -4.16 105.19 106.67 1x1g n GLY 85 Ca 0.11 0.41 0.02 0.00 0.00 0.00 0.00 46.02 46.56 1x1g n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1g s ASN 86 N -4.00 -0.53 0.46 1.61 4.22 -1.26 -5.06 114.94 110.38 1x1g s ASN 86 Ca 0.00 -0.28 -0.19 0.00 -2.14 0.00 0.00 52.86 50.25 1x1g s ASN 86 Cb 0.00 0.68 -0.10 0.00 1.28 0.00 0.00 41.25 43.12 1x1g s ASN 86 CO 0.00 -0.06 0.97 0.54 -2.04 0.00 0.00 177.10 176.51 1x1g s VAL 87 N 1.93 4.40 0.18 3.54 0.11 -1.26 -4.93 120.40 124.38 1x1g s VAL 87 Ca 0.15 1.37 -0.16 0.00 -2.93 0.00 0.00 61.98 60.42 1x1g s VAL 87 Cb 0.02 -3.63 0.02 0.00 -1.53 0.00 0.00 36.38 31.26 1x1g s VAL 87 CO -0.13 -0.44 0.46 0.00 -3.33 0.00 0.00 175.10 171.66 1x1g s GLN 88 N -3.49 1.31 0.00 1.54 -2.07 -1.26 -4.16 119.66 111.53 1x1g s GLN 88 Ca 0.61 -0.92 0.00 0.00 -1.82 0.00 0.00 55.36 53.23 1x1g s GLN 88 Cb -0.10 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.31 1x1g s GLN 88 CO 0.20 -0.54 0.00 0.41 -1.32 0.00 0.00 175.29 174.04 1x1g n GLY 89 N -0.30 -0.76 3.57 2.60 0.00 -1.26 -4.81 105.19 104.23 1x1g n GLY 89 Ca -0.10 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 1x1g n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1g s ASN 90 N -4.00 6.68 0.54 1.61 2.20 -1.26 -4.82 114.94 115.89 1x1g s ASN 90 Ca 0.00 -2.03 0.04 0.00 -0.94 0.00 0.00 52.86 49.93 1x1g s ASN 90 Cb 0.00 -2.58 0.03 0.00 -2.00 0.00 0.00 41.25 36.70 1x1g s ASN 90 CO 0.00 -1.33 0.26 -0.76 -2.94 0.00 0.00 177.10 172.33 1x1g s LEU 91 N 4.62 2.50 -0.17 3.54 1.43 -1.26 -3.23 118.68 126.10 1x1g s LEU 91 Ca 0.51 -1.43 -0.32 0.00 -1.03 0.00 0.00 54.13 51.86 1x1g s LEU 91 Cb 0.02 -0.98 0.14 0.00 0.03 0.00 0.00 46.19 45.40 1x1g s LEU 91 CO 0.01 -1.06 1.13 0.72 0.23 0.00 0.00 176.35 177.38 1x1g s PHE 92 N -2.83 -0.21 0.30 0.29 -0.12 -1.07 -3.09 117.98 111.24 1x1g s PHE 92 Ca 0.22 0.22 0.10 0.00 -0.05 0.00 0.00 56.93 57.42 1x1g s PHE 92 Cb -0.01 0.50 -0.06 0.00 -0.63 0.00 0.00 43.02 42.82 1x1g s PHE 92 CO 0.14 -0.27 -0.15 -1.59 -0.05 0.00 0.00 175.22 173.30 1x1g s LYS 93 N -2.03 1.70 -0.23 1.99 0.00 0.12 -1.25 119.74 120.03 1x1g s LYS 93 Ca 0.06 -1.82 -0.01 0.00 0.00 0.00 0.00 55.97 54.20 1x1g s LYS 93 Cb -0.01 -1.65 0.07 0.00 0.00 0.00 0.00 37.83 36.24 1x1g s LYS 93 CO -0.05 0.23 0.02 0.08 0.00 0.00 0.00 175.35 175.63 1x1g s VAL 94 N -2.62 0.93 -0.41 1.79 1.01 -0.94 -0.57 120.40 119.59 1x1g s VAL 94 Ca 0.30 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 61.11 1x1g s VAL 94 Cb -0.01 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.98 1x1g s VAL 94 CO 0.15 -0.25 0.85 -0.63 0.00 0.00 0.00 175.10 175.21 1x1g s ILE 95 N 1.66 4.61 0.84 2.22 1.01 -0.46 -1.78 121.20 129.29 1x1g s ILE 95 Ca -0.01 0.80 -0.08 0.00 0.00 0.00 0.00 60.65 61.36 1x1g s ILE 95 Cb -0.18 -4.32 0.18 0.00 0.01 0.00 0.00 42.46 38.15 1x1g s ILE 95 CO -0.10 -0.63 1.14 0.35 0.00 0.00 0.00 174.94 175.70 1x1g n THR 96 N 6.09 0.00 0.22 2.92 -2.24 -0.72 0.18 114.28 120.74 1x1g n THR 96 Ca 0.04 -1.25 0.09 0.00 -2.27 0.00 0.00 64.05 60.67 1x1g n THR 96 Cb 0.48 -1.21 0.47 0.00 -2.10 0.00 0.00 70.33 67.97 1x1g n THR 96 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1x1g n LYS 97 N -3.29 0.13 -0.27 -0.78 2.85 -0.66 0.38 118.16 116.53 1x1g n LYS 97 Ca 0.16 0.54 0.10 0.00 -1.05 0.00 0.00 58.31 58.06 1x1g n LYS 97 Cb 0.57 -1.85 0.26 0.00 -0.65 0.00 0.00 35.03 33.37 1x1g n LYS 97 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1x1g n ASP 98 N -2.10 3.04 -1.54 -5.58 8.00 -1.26 -4.89 116.55 112.22 1x1g n ASP 98 Ca -0.00 -1.98 -0.19 0.00 0.71 0.00 0.00 54.79 53.34 1x1g n ASP 98 Cb 0.09 -0.35 -0.07 0.00 -0.02 0.00 0.00 41.12 40.77 1x1g n ASP 98 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1x1g n ASP 99 N 1.17 -5.26 -4.67 -2.24 2.03 0.16 -4.93 116.55 102.81 1x1g n ASP 99 Ca 0.19 0.39 -0.41 0.00 0.52 0.00 0.00 54.79 55.47 1x1g n ASP 99 Cb 0.49 -4.39 -0.04 0.00 -0.72 0.00 0.00 41.12 36.46 1x1g n ASP 99 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1x1g s THR 100 N -2.73 4.87 -0.46 5.18 2.01 -1.25 -4.76 115.64 118.50 1x1g s THR 100 Ca 0.00 1.62 -0.20 0.00 0.31 0.00 0.00 61.69 63.43 1x1g s THR 100 Cb 0.00 -4.13 0.03 0.00 0.01 0.00 0.00 72.50 68.41 1x1g s THR 100 CO 0.00 0.01 0.60 -1.00 -0.69 0.00 0.00 174.62 173.54 1x1g s HIS 101 N 2.24 3.08 -0.55 4.92 3.76 -1.25 -1.75 115.29 125.73 1x1g s HIS 101 Ca 0.38 -0.28 -0.19 0.00 -0.15 0.00 0.00 55.06 54.82 1x1g s HIS 101 Cb -0.16 -3.32 0.08 0.00 1.11 0.00 0.00 32.58 30.29 1x1g s HIS 101 CO 0.12 -0.90 0.67 0.71 -0.85 0.00 0.00 174.74 174.49 1x1g s TYR 102 N 2.64 3.02 -0.26 1.40 2.02 -0.73 -4.80 117.35 120.64 1x1g s TYR 102 Ca 0.18 -0.78 -0.29 0.00 -0.37 0.00 0.00 57.07 55.81 1x1g s TYR 102 Cb -0.16 -3.80 -0.00 0.00 -0.40 0.00 0.00 41.96 37.59 1x1g s TYR 102 CO 0.16 -1.18 1.29 0.71 -1.57 0.00 0.00 175.55 174.95 1x1g s TYR 103 N 2.66 2.74 0.25 2.71 2.02 -1.26 -2.21 117.35 124.26 1x1g s TYR 103 Ca 0.13 0.92 0.06 0.00 -0.37 0.00 0.00 57.07 57.81 1x1g s TYR 103 Cb -0.22 -3.77 -0.05 0.00 -0.40 0.00 0.00 41.96 37.51 1x1g s TYR 103 CO 0.09 -1.69 -0.06 0.42 -1.57 0.00 0.00 175.55 172.74 1x1g s ILE 104 N 4.10 1.46 0.05 2.71 1.01 -0.38 -2.33 121.20 127.81 1x1g s ILE 104 Ca 0.56 -2.11 0.09 0.00 0.00 0.00 0.00 60.65 59.19 1x1g s ILE 104 Cb -0.18 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 1x1g s ILE 104 CO 0.20 -0.37 -0.25 -1.58 0.00 0.00 0.00 174.94 172.95 1x1g s GLN 105 N -3.76 1.65 0.15 2.79 0.74 0.12 -2.61 119.66 118.74 1x1g s GLN 105 Ca 0.28 -1.07 0.02 0.00 0.05 0.00 0.00 55.36 54.64 1x1g s GLN 105 Cb 0.04 -1.82 -0.04 0.00 1.10 0.00 0.00 33.01 32.29 1x1g s GLN 105 CO 0.10 0.47 0.28 0.00 -0.55 0.00 0.00 175.29 175.59 1x1g s ALA 106 N -0.81 3.97 0.09 1.58 0.00 -1.20 -1.58 121.76 123.81 1x1g s ALA 106 Ca 0.10 -1.03 -0.26 0.00 0.00 0.00 0.00 51.96 50.78 1x1g s ALA 106 Cb -0.10 -1.78 -0.14 0.00 0.00 0.00 0.00 23.12 21.11 1x1g s ALA 106 CO 0.02 0.54 1.69 1.03 0.00 0.00 0.00 175.76 179.05 1x1g h SER 107 N 2.15 -0.31 -2.97 0.00 0.87 -1.89 -3.46 113.55 107.93 1x1g h SER 107 Ca -0.48 0.02 -0.58 0.00 -1.23 0.00 0.00 61.79 59.52 1x1g h SER 107 Cb 1.19 0.10 -0.13 0.00 -0.44 0.00 0.00 62.40 63.12 1x1g h SER 107 CO 0.69 -0.19 -0.50 -0.55 -0.53 0.00 0.00 176.83 175.75 1x1g s SER 108 N -4.94 2.96 0.19 6.23 0.15 -1.26 -5.00 113.70 112.02 1x1g s SER 108 Ca -0.15 -1.72 -0.12 0.00 0.70 0.00 0.00 55.95 54.67 1x1g s SER 108 Cb 0.06 0.59 0.11 0.00 -1.71 0.00 0.00 66.02 65.06 1x1g s SER 108 CO 0.65 -0.97 1.81 0.11 1.20 0.00 0.00 173.24 176.03 1x1g h LYS 109 N 1.71 0.90 0.09 5.44 6.56 -1.91 -2.21 116.57 127.16 1x1g h LYS 109 Ca -0.35 -0.10 -0.00 0.00 -1.06 0.00 0.00 60.65 59.14 1x1g h LYS 109 Cb 1.28 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.76 1x1g h LYS 109 CO 0.56 0.67 -0.05 0.00 -2.06 0.00 0.00 179.45 178.58 1x1g h ALA 110 N 1.18 -0.13 -1.12 3.86 0.00 -1.98 -2.96 119.26 118.10 1x1g h ALA 110 Ca 0.23 -0.20 0.39 0.00 0.00 0.00 0.00 54.91 55.33 1x1g h ALA 110 Cb 0.03 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 17.72 1x1g h ALA 110 CO -0.04 -0.36 0.67 1.49 0.00 0.00 0.00 179.25 181.01 1x1g h GLU 111 N -0.55 0.14 0.00 0.00 4.57 -1.90 0.30 114.58 117.14 1x1g h GLU 111 Ca -0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1x1g h GLU 111 Cb 0.45 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1x1g h GLU 111 CO 0.02 0.09 0.00 -2.13 -1.18 0.00 0.00 179.01 175.82 1x1g n ARG 112 N -4.96 0.00 -0.38 1.92 0.63 -0.85 0.13 116.66 113.15 1x1g n ARG 112 Ca 0.35 0.49 0.29 0.00 -0.92 0.00 0.00 57.85 58.07 1x1g n ARG 112 Cb 1.23 -1.42 0.56 0.00 0.45 0.00 0.00 32.46 33.29 1x1g n ARG 112 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x1g h ALA 113 N -2.00 2.39 0.24 5.13 0.00 -1.12 0.93 119.26 124.83 1x1g h ALA 113 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1x1g h ALA 113 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1x1g h ALA 113 CO 0.00 -0.94 -0.11 0.93 0.00 0.00 0.00 179.25 179.12 1x1g h GLU 114 N 0.24 -0.31 -0.20 0.00 5.08 -0.31 0.53 114.58 119.61 1x1g h GLU 114 Ca 0.73 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 59.17 1x1g h GLU 114 Cb 2.02 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 31.33 1x1g h GLU 114 CO -0.43 0.05 0.17 -1.49 -1.00 0.00 0.00 179.01 176.32 1x1g h TRP 115 N -0.77 0.00 0.00 4.33 4.06 0.47 0.12 115.95 124.16 1x1g h TRP 115 Ca -0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.92 1x1g h TRP 115 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 1x1g h TRP 115 CO 0.05 0.00 0.00 -0.89 -3.56 0.00 0.00 178.44 174.04 1x1g n ILE 116 N -4.09 0.00 -0.27 1.49 5.41 0.29 -2.72 119.36 119.47 1x1g n ILE 116 Ca 0.02 0.27 0.24 0.00 1.00 0.00 0.00 62.75 64.27 1x1g n ILE 116 Cb 0.31 -0.69 0.44 0.00 -0.71 0.00 0.00 39.64 38.99 1x1g n ILE 116 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1x1g n GLU 117 N -1.05 -0.05 0.39 0.38 2.13 0.18 0.12 120.64 122.74 1x1g n GLU 117 Ca 0.00 1.15 -0.19 0.00 0.66 0.00 0.00 57.16 58.78 1x1g n GLU 117 Cb 0.00 -2.02 -0.10 0.00 0.27 0.00 0.00 31.44 29.60 1x1g n GLU 117 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x1g h ALA 118 N 1.64 -1.24 -0.65 4.31 0.00 -0.88 -1.17 119.26 121.27 1x1g h ALA 118 Ca 0.66 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.44 1x1g h ALA 118 Cb 1.69 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 20.05 1x1g h ALA 118 CO -0.66 -1.22 0.26 0.82 0.00 0.00 0.00 179.25 178.45 1x1g h ILE 119 N -1.14 0.76 -0.61 0.00 2.04 0.11 -0.97 117.51 117.69 1x1g h ILE 119 Ca -0.09 -0.15 0.12 0.00 1.00 0.00 0.00 64.86 65.73 1x1g h ILE 119 Cb 0.93 0.28 -0.12 0.00 -0.74 0.00 0.00 36.82 37.17 1x1g h ILE 119 CO 0.06 0.08 -0.26 0.11 0.00 0.00 0.00 178.15 178.14 1x1g h LYS 120 N 0.44 -0.10 -0.19 2.37 1.57 -0.25 0.17 116.57 120.59 1x1g h LYS 120 Ca 0.33 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.15 1x1g h LYS 120 Cb 0.42 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.69 1x1g h LYS 120 CO -0.32 -0.07 -0.54 0.87 -0.57 0.00 0.00 179.45 178.83 1x1g h LYS 121 N -0.10 -0.51 -0.37 3.15 1.57 0.07 -1.44 116.57 118.93 1x1g h LYS 121 Ca 0.27 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.15 1x1g h LYS 121 Cb 0.53 0.12 -0.09 0.00 0.08 0.00 0.00 32.23 32.87 1x1g h LYS 121 CO -0.67 -0.34 -0.40 -0.07 -0.57 0.00 0.00 179.45 177.39 1x1g h LEU 122 N -0.53 -1.33-10.36 2.94 -0.00 -0.86 -3.42 115.31 101.76 1x1g h LEU 122 Ca 0.04 0.21 -0.44 0.00 -0.00 0.00 0.00 57.88 57.69 1x1g h LEU 122 Cb 0.65 0.58 0.17 0.00 -0.00 0.00 0.00 40.66 42.07 1x1g h LEU 122 CO -0.46 -0.36 0.16 0.42 -0.00 0.00 0.00 178.44 178.19 1x1g s THR 123 N -5.89 1.86 0.11 0.22 -4.23 0.44 -4.32 115.64 103.83 1x1g s THR 123 Ca -0.15 0.00 -0.32 0.00 -1.18 0.00 0.00 61.69 60.04 1x1g s THR 123 Cb 0.12 -2.46 -0.11 0.00 1.34 0.00 0.00 72.50 71.38 1x1g s THR 123 CO 0.66 0.00 1.80 -1.20 -0.54 0.00 0.00 174.62 175.33 1x1g n SER 124 N -4.44 3.84 0.00 3.99 7.64 -1.26 -4.60 113.62 118.79 1x1g n SER 124 Ca 0.07 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1x1g n SER 124 Cb 0.58 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1x1g n SER 124 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1g n GLY 125 N 4.11 1.78 0.10 0.23 0.00 -1.26 -4.94 105.19 105.20 1x1g n GLY 125 Ca 0.18 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 1x1g n GLY 125 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1g h PRO 126 N 0.00 -0.11 -5.43 1.61 0.13 -1.83 -3.32 132.00 123.06 1x1g h PRO 126 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1x1g h PRO 126 Cb 0.00 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.14 1x1g h PRO 126 CO 0.00 0.44 -1.03 0.45 -0.23 0.00 0.00 178.00 177.63 1x1g n SER 127 N -4.82 -6.88 0.21 1.44 2.88 -1.26 -4.62 113.62 100.57 1x1g n SER 127 Ca -0.08 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1x1g n SER 127 Cb 0.29 -4.40 0.00 0.00 -0.75 0.00 0.00 64.21 59.35 1x1g n SER 127 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x1g n SER 128 N 1.01 -2.75 0.00 -3.46 7.64 -1.26 -5.04 113.62 109.76 1x1g n SER 128 Ca -0.05 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1x1g n SER 128 Cb 0.18 2.64 0.00 0.00 -1.01 0.00 0.00 64.21 66.02 1x1g n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64