#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ueq h SER 2 N 0.00 0.00 -3.76 1.61 0.02 -2.13 -3.46 113.55 105.83 1ueq h SER 2 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1ueq h SER 2 Cb 0.00 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.61 1ueq h SER 2 CO 0.00 0.77 0.68 -0.55 -1.14 0.00 0.00 176.83 176.59 1ueq s SER 3 N -6.47 6.70 0.08 3.07 0.15 -1.26 -4.97 113.70 111.01 1ueq s SER 3 Ca 0.01 2.72 -0.26 0.00 0.70 0.00 0.00 55.95 59.12 1ueq s SER 3 Cb 0.09 -2.64 0.09 0.00 -1.71 0.00 0.00 66.02 61.84 1ueq s SER 3 CO 0.79 -0.61 1.14 -0.83 1.20 0.00 0.00 173.24 174.93 1ueq s GLY 4 N -0.23 -0.16 0.21 9.45 0.00 -1.26 -5.20 107.32 110.13 1ueq s GLY 4 Ca 0.52 0.13 -0.21 0.00 0.00 0.00 0.00 44.72 45.16 1ueq s GLY 4 CO 0.51 1.74 1.01 -0.45 0.00 0.00 0.00 173.10 175.91 1ueq s SER 5 N -3.24 -0.00 1.07 1.64 0.15 -1.26 -5.16 113.70 106.89 1ueq s SER 5 Ca 0.19 -0.73 -0.12 0.00 0.70 0.00 0.00 55.95 55.99 1ueq s SER 5 Cb 0.00 0.54 0.23 0.00 -1.71 0.00 0.00 66.02 65.09 1ueq s SER 5 CO 0.01 -1.08 1.06 -0.55 1.20 0.00 0.00 173.24 173.88 1ueq s SER 6 N -3.35 1.85 0.20 5.45 0.15 -1.26 -5.08 113.70 111.66 1ueq s SER 6 Ca 0.21 1.41 0.07 0.00 0.70 0.00 0.00 55.95 58.33 1ueq s SER 6 Cb -0.03 -2.12 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 1ueq s SER 6 CO 0.06 -3.64 0.09 -0.83 1.20 0.00 0.00 173.24 170.12 1ueq s GLY 7 N -2.96 1.64 -0.37 9.45 0.00 -1.26 -5.10 107.32 108.72 1ueq s GLY 7 Ca 0.67 -1.37 0.04 0.00 0.00 0.00 0.00 44.72 44.06 1ueq s GLY 7 CO 0.61 -1.39 0.45 -2.27 0.00 0.00 0.00 173.10 170.50 1ueq s LEU 8 N -3.30 -0.59 0.30 0.66 1.98 -1.26 -5.12 118.68 111.34 1ueq s LEU 8 Ca 0.30 -1.15 0.00 0.00 -2.89 0.00 0.00 54.13 50.39 1ueq s LEU 8 Cb -0.09 1.05 0.00 0.00 0.66 0.00 0.00 46.19 47.81 1ueq s LEU 8 CO 0.22 -0.25 0.00 0.33 -1.89 0.00 0.00 176.35 174.76 1ueq n PHE 9 N 4.49 -2.49 0.00 5.38 -0.00 -1.26 -4.96 117.46 118.61 1ueq n PHE 9 Ca 0.09 1.29 0.00 0.00 -0.00 0.00 0.00 57.45 58.83 1ueq n PHE 9 Cb 0.49 -2.27 0.00 0.00 -0.00 0.00 0.00 39.48 37.70 1ueq n PHE 9 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1ueq n THR 10 N -3.40 0.00 0.00 -2.13 -1.04 -1.26 -5.05 114.28 101.40 1ueq n THR 10 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1ueq n THR 10 Cb 0.62 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 1ueq n THR 10 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ueq n ARG 11 N 0.00 0.00 -0.28 -2.82 1.74 -1.26 -4.96 116.66 109.08 1ueq n ARG 11 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ueq n ARG 11 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1ueq n ARG 11 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ueq n ASP 12 N 0.00 0.00 0.00 0.55 2.03 -1.26 -5.01 116.55 112.86 1ueq n ASP 12 Ca 0.00 -1.50 0.00 0.00 0.52 0.00 0.00 54.79 53.81 1ueq n ASP 12 Cb 0.00 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1ueq n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ueq n ALA 13 N 0.00 0.00 0.18 -1.67 0.00 -1.26 -4.80 120.51 112.96 1ueq n ALA 13 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1ueq n ALA 13 Cb 0.60 -0.68 0.27 0.00 0.00 0.00 0.00 19.45 19.64 1ueq n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ueq h SER 14 N 0.00 0.00 0.61 0.00 0.87 -1.98 -2.35 113.55 110.70 1ueq h SER 14 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ueq h SER 14 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ueq h SER 14 CO 0.00 0.41 0.00 0.00 -0.53 0.00 0.00 176.83 176.71 1ueq n GLN 15 N -3.47 0.05 -2.18 2.24 6.02 -1.26 -4.85 117.38 113.93 1ueq n GLN 15 Ca 0.00 0.26 -0.40 0.00 -0.01 0.00 0.00 57.00 56.85 1ueq n GLN 15 Cb 0.56 -1.58 -0.02 0.00 1.02 0.00 0.00 30.24 30.21 1ueq n GLN 15 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ueq s LEU 16 N -3.34 4.44 -0.25 1.08 1.43 -0.89 -4.98 118.68 116.18 1ueq s LEU 16 Ca 0.07 2.61 0.01 0.00 -1.03 0.00 0.00 54.13 55.79 1ueq s LEU 16 Cb 0.10 -3.66 0.04 0.00 0.03 0.00 0.00 46.19 42.70 1ueq s LEU 16 CO 0.32 -0.48 -0.09 -0.75 0.23 0.00 0.00 176.35 175.58 1ueq s LYS 17 N -1.76 2.57 0.00 1.70 2.47 -1.26 -4.95 119.74 118.51 1ueq s LYS 17 Ca 0.49 -1.14 0.00 0.00 -1.56 0.00 0.00 55.97 53.76 1ueq s LYS 17 Cb -0.38 -2.91 0.00 0.00 -1.46 0.00 0.00 37.83 33.08 1ueq s LYS 17 CO 0.50 -0.47 0.00 0.41 0.16 0.00 0.00 175.35 175.96 1ueq n GLY 18 N 4.56 -0.89 3.18 5.54 0.00 -1.26 -4.46 105.19 111.86 1ueq n GLY 18 Ca -0.16 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.05 1ueq n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ueq s THR 19 N -2.06 1.50 -0.12 2.61 2.01 -0.23 -4.86 115.64 114.49 1ueq s THR 19 Ca 0.00 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.15 1ueq s THR 19 Cb 0.00 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1ueq s THR 19 CO 0.00 0.42 0.05 -0.36 -0.69 0.00 0.00 174.62 174.05 1ueq s PHE 20 N -0.37 3.30 0.32 4.92 0.40 -1.26 -0.68 117.98 124.60 1ueq s PHE 20 Ca 0.06 0.26 -0.09 0.00 -0.60 0.00 0.00 56.93 56.55 1ueq s PHE 20 Cb -0.08 -1.89 0.01 0.00 0.51 0.00 0.00 43.02 41.57 1ueq s PHE 20 CO -0.00 0.48 0.55 -0.48 0.70 0.00 0.00 175.22 176.46 1ueq s LEU 21 N -0.66 0.55 0.26 -0.37 -0.00 -1.06 -5.04 118.68 112.36 1ueq s LEU 21 Ca 0.11 -1.21 0.01 0.00 -0.00 0.00 0.00 54.13 53.04 1ueq s LEU 21 Cb -0.12 1.88 -0.05 0.00 -0.00 0.00 0.00 46.19 47.90 1ueq s LEU 21 CO 0.02 -1.33 0.10 -0.94 -0.00 0.00 0.00 176.35 174.21 1ueq s SER 22 N -3.12 1.11 0.03 1.48 1.04 -1.26 -1.56 113.70 111.42 1ueq s SER 22 Ca 0.24 -1.40 -0.14 0.00 0.48 0.00 0.00 55.95 55.14 1ueq s SER 22 Cb -0.02 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.33 1ueq s SER 22 CO 0.14 -0.76 0.30 0.28 0.98 0.00 0.00 173.24 174.19 1ueq s THR 23 N -3.78 0.08 -0.33 2.02 -1.32 -0.44 -4.97 115.64 106.89 1ueq s THR 23 Ca 0.38 -0.63 -0.00 0.00 -1.21 0.00 0.00 61.69 60.22 1ueq s THR 23 Cb 0.08 -0.84 0.08 0.00 -1.51 0.00 0.00 72.50 70.30 1ueq s THR 23 CO 0.14 -0.35 0.05 -0.89 -2.21 0.00 0.00 174.62 171.36 1ueq s THR 24 N -2.19 2.85 -0.17 5.08 2.01 -1.26 -1.35 115.64 120.62 1ueq s THR 24 Ca -0.08 -1.77 -0.10 0.00 0.31 0.00 0.00 61.69 60.05 1ueq s THR 24 Cb -0.02 -2.81 -0.05 0.00 0.01 0.00 0.00 72.50 69.63 1ueq s THR 24 CO -0.01 -0.34 0.17 -0.76 -0.69 0.00 0.00 174.62 172.99 1ueq s LEU 25 N 1.14 4.27 0.31 4.42 1.43 -0.71 -4.90 118.68 124.64 1ueq s LEU 25 Ca 0.01 0.36 -0.21 0.00 -1.03 0.00 0.00 54.13 53.26 1ueq s LEU 25 Cb -0.20 -2.16 -0.09 0.00 0.03 0.00 0.00 46.19 43.77 1ueq s LEU 25 CO -0.04 0.22 0.84 -0.75 0.23 0.00 0.00 176.35 176.85 1ueq s LYS 26 N 0.01 4.31 -1.28 1.70 2.20 -1.26 -1.63 119.74 123.78 1ueq s LYS 26 Ca 0.12 1.02 -0.18 0.00 -0.36 0.00 0.00 55.97 56.57 1ueq s LYS 26 Cb -0.12 -2.65 0.02 0.00 -1.51 0.00 0.00 37.83 33.57 1ueq s LYS 26 CO 0.01 0.24 1.91 1.17 -0.36 0.00 0.00 175.35 178.31 1ueq n LYS 27 N 0.23 2.73 -1.78 4.03 3.00 0.68 -4.74 118.16 122.30 1ueq n LYS 27 Ca 0.02 -2.87 -0.43 0.00 -0.00 0.00 0.00 58.31 55.03 1ueq n LYS 27 Cb 0.52 -3.44 -0.03 0.00 0.00 0.00 0.00 35.03 32.08 1ueq n LYS 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ueq s SER 28 N 4.38 6.10 0.06 3.14 0.15 -1.26 -1.86 113.70 124.40 1ueq s SER 28 Ca 0.55 2.10 0.00 0.00 0.70 0.00 0.00 55.95 59.30 1ueq s SER 28 Cb 0.07 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1ueq s SER 28 CO 0.05 -1.42 0.00 0.59 1.20 0.00 0.00 173.24 173.66 1ueq n ASN 29 N 9.20 0.00 0.10 5.45 3.02 -1.26 -1.13 115.26 130.64 1ueq n ASN 29 Ca 0.23 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.65 1ueq n ASN 29 Cb 0.44 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.55 1ueq n ASN 29 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1ueq h MET 30 N 0.00 -0.53 0.00 3.52 2.86 -2.01 -3.46 114.93 115.30 1ueq h MET 30 Ca 0.00 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1ueq h MET 30 Cb 0.00 0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1ueq h MET 30 CO 0.00 -0.36 0.00 0.41 1.06 0.00 0.00 176.91 178.02 1ueq n GLY 31 N -1.43 1.12 3.69 8.32 0.00 -0.28 -5.05 105.19 111.55 1ueq n GLY 31 Ca -0.06 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 1ueq n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ueq s PHE 32 N -1.59 3.25 -0.72 1.61 0.08 -1.26 -4.23 117.98 115.11 1ueq s PHE 32 Ca 0.00 1.27 -0.07 0.00 0.12 0.00 0.00 56.93 58.25 1ueq s PHE 32 Cb 0.00 -3.39 -0.16 0.00 -0.57 0.00 0.00 43.02 38.90 1ueq s PHE 32 CO 0.00 -1.16 2.98 0.41 -0.10 0.00 0.00 175.22 177.35 1ueq n GLY 33 N 3.32 3.35 3.12 4.36 0.00 -1.26 -4.72 105.19 113.35 1ueq n GLY 33 Ca 0.10 -1.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 1ueq n GLY 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ueq s PHE 34 N 1.89 0.31 0.19 1.61 -0.71 -1.26 -0.79 117.98 119.22 1ueq s PHE 34 Ca 0.60 -0.74 0.08 0.00 -1.04 0.00 0.00 56.93 55.83 1ueq s PHE 34 Cb 0.22 -0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.77 1ueq s PHE 34 CO -0.03 -0.41 -0.16 0.95 -1.34 0.00 0.00 175.22 174.23 1ueq s THR 35 N -3.39 1.79 0.31 -4.49 -4.23 -0.14 -4.90 115.64 100.59 1ueq s THR 35 Ca 0.02 -2.08 0.10 0.00 -1.18 0.00 0.00 61.69 58.54 1ueq s THR 35 Cb 0.04 -1.95 -0.05 0.00 1.34 0.00 0.00 72.50 71.87 1ueq s THR 35 CO -0.08 -0.47 -0.04 -0.63 -0.54 0.00 0.00 174.62 172.86 1ueq s ILE 36 N -2.55 2.74 0.06 2.99 1.09 -1.26 -0.60 121.20 123.67 1ueq s ILE 36 Ca 0.20 -2.06 0.07 0.00 -1.10 0.00 0.00 60.65 57.75 1ueq s ILE 36 Cb -0.03 -2.70 -0.03 0.00 -1.06 0.00 0.00 42.46 38.64 1ueq s ILE 36 CO 0.07 -0.27 -0.19 -0.51 -0.10 0.00 0.00 174.94 173.94 1ueq s ILE 37 N -2.48 1.51 0.02 2.92 2.07 -0.19 -4.48 121.20 120.57 1ueq s ILE 37 Ca 0.33 -1.23 -0.01 0.00 -1.41 0.00 0.00 60.65 58.33 1ueq s ILE 37 Cb -0.02 -1.35 -0.02 0.00 0.13 0.00 0.00 42.46 41.20 1ueq s ILE 37 CO 0.18 0.08 -0.02 -0.83 -1.91 0.00 0.00 174.94 172.44 1ueq s GLY 38 N -1.36 0.26 0.00 1.50 0.00 -1.26 -2.41 107.32 104.05 1ueq s GLY 38 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1ueq s GLY 38 CO 0.02 -0.72 0.36 0.61 0.00 0.00 0.00 173.10 173.37 1ueq n GLY 39 N 1.41 -2.75 0.00 0.20 0.00 -1.26 -4.99 105.19 97.80 1ueq n GLY 39 Ca -0.23 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ueq n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ueq n ASP 40 N -0.51 0.00 -4.50 1.61 8.00 -1.26 -5.12 116.55 114.77 1ueq n ASP 40 Ca 0.00 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.26 1ueq n ASP 40 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 1ueq n ASP 40 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ueq s GLU 41 N 0.00 1.72 0.00 -1.24 2.02 -1.26 -5.04 118.70 114.90 1ueq s GLU 41 Ca 0.00 -1.89 -0.04 0.00 0.02 0.00 0.00 54.97 53.06 1ueq s GLU 41 Cb 0.00 -1.48 -0.18 0.00 0.10 0.00 0.00 34.13 32.57 1ueq s GLU 41 CO 0.00 0.09 2.86 -0.35 0.02 0.00 0.00 175.26 177.88 1ueq n PRO 42 N -0.72 1.52 -0.23 0.39 -0.04 -1.26 -2.89 135.00 131.77 1ueq n PRO 42 Ca -0.05 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 1ueq n PRO 42 Cb 0.64 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1ueq n PRO 42 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ueq n ASP 43 N 2.30 0.00 -4.95 3.54 5.68 -1.25 -4.79 116.55 117.08 1ueq n ASP 43 Ca 0.28 -0.77 -0.23 0.00 -0.50 0.00 0.00 54.79 53.56 1ueq n ASP 43 Cb 0.71 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.71 1ueq n ASP 43 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1ueq s GLU 44 N 0.00 2.92 -0.28 0.11 4.04 -1.14 -5.03 118.70 119.32 1ueq s GLU 44 Ca 0.00 -0.44 -0.09 0.00 0.04 0.00 0.00 54.97 54.49 1ueq s GLU 44 Cb 0.00 -2.48 -0.02 0.00 0.02 0.00 0.00 34.13 31.65 1ueq s GLU 44 CO 0.00 -0.46 0.12 -0.06 -1.84 0.00 0.00 175.26 173.02 1ueq s PHE 45 N -2.70 3.14 -0.01 4.83 0.40 -1.26 -4.49 117.98 117.89 1ueq s PHE 45 Ca 0.51 -0.43 -0.30 0.00 -0.60 0.00 0.00 56.93 56.12 1ueq s PHE 45 Cb -0.10 -2.30 -0.03 0.00 0.51 0.00 0.00 43.02 41.10 1ueq s PHE 45 CO 0.40 -0.38 0.98 -0.51 0.70 0.00 0.00 175.22 176.41 1ueq s LEU 46 N 1.63 4.36 0.12 -0.37 1.43 -1.26 -4.71 118.68 119.88 1ueq s LEU 46 Ca 0.06 1.65 0.06 0.00 -1.03 0.00 0.00 54.13 54.86 1ueq s LEU 46 Cb -0.16 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 1ueq s LEU 46 CO 0.06 -0.28 -0.15 -1.10 0.23 0.00 0.00 176.35 175.10 1ueq s GLN 47 N 1.13 1.05 -0.20 1.70 -0.21 -1.01 -1.13 119.66 120.98 1ueq s GLN 47 Ca 0.52 -1.24 -0.29 0.00 0.02 0.00 0.00 55.36 54.36 1ueq s GLN 47 Cb -0.21 -0.98 -0.03 0.00 1.00 0.00 0.00 33.01 32.79 1ueq s GLN 47 CO 0.27 0.19 1.70 0.08 -2.12 0.00 0.00 175.29 175.41 1ueq s VAL 48 N -2.04 3.57 -0.00 1.09 1.01 0.34 -1.03 120.40 123.35 1ueq s VAL 48 Ca 0.09 0.65 -0.25 0.00 0.00 0.00 0.00 61.98 62.47 1ueq s VAL 48 Cb -0.05 -3.59 -0.18 0.00 0.00 0.00 0.00 36.38 32.56 1ueq s VAL 48 CO 0.03 -0.25 1.25 0.50 0.00 0.00 0.00 175.10 176.64 1ueq h LYS 49 N 11.14 -0.17 -2.43 2.72 3.64 -1.08 -2.38 116.57 128.02 1ueq h LYS 49 Ca -0.36 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.96 1ueq h LYS 49 Cb 1.17 0.04 -0.19 0.00 -0.41 0.00 0.00 32.23 32.84 1ueq h LYS 49 CO 0.99 0.21 0.04 -1.12 -2.27 0.00 0.00 179.45 177.30 1ueq s SER 50 N -5.40 -0.50 -0.16 4.20 0.01 -1.13 -4.72 113.70 106.01 1ueq s SER 50 Ca -0.15 0.44 -0.18 0.00 1.31 0.00 0.00 55.95 57.37 1ueq s SER 50 Cb 0.02 0.47 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 1ueq s SER 50 CO 0.60 -0.60 0.50 -0.69 0.41 0.00 0.00 173.24 173.47 1ueq s VAL 51 N -1.52 5.15 0.14 3.43 1.01 -1.26 -0.97 120.40 126.38 1ueq s VAL 51 Ca -0.10 0.97 -0.31 0.00 0.00 0.00 0.00 61.98 62.54 1ueq s VAL 51 Cb -0.01 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 1ueq s VAL 51 CO 0.06 0.25 1.31 -0.63 0.00 0.00 0.00 175.10 176.09 1ueq s ILE 52 N 1.11 3.44 0.88 2.22 -1.09 0.03 -4.96 121.20 122.83 1ueq s ILE 52 Ca 0.25 1.09 -0.11 0.00 -2.23 0.00 0.00 60.65 59.65 1ueq s ILE 52 Cb -0.15 -3.70 0.12 0.00 -1.58 0.00 0.00 42.46 37.15 1ueq s ILE 52 CO 0.10 0.12 1.09 -2.16 -1.23 0.00 0.00 174.94 172.86 1ueq s PRO 53 N 0.60 1.41 -1.53 2.79 0.04 -1.26 -4.02 135.00 133.03 1ueq s PRO 53 Ca 0.60 1.01 -0.00 0.00 0.04 0.00 0.00 61.00 62.65 1ueq s PRO 53 Cb -0.35 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1ueq s PRO 53 CO 0.33 -2.18 0.07 -0.40 0.04 0.00 0.00 177.00 174.86 1ueq n ASP 54 N -3.87 0.73 -3.66 6.66 5.75 -1.26 -4.94 116.55 115.96 1ueq n ASP 54 Ca 0.08 -1.24 -0.16 0.00 -0.01 0.00 0.00 54.79 53.46 1ueq n ASP 54 Cb 0.54 -1.83 -0.08 0.00 -1.03 0.00 0.00 41.12 38.72 1ueq n ASP 54 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1ueq s GLY 55 N -4.38 1.89 0.49 6.12 0.00 -1.26 -5.04 107.32 105.15 1ueq s GLY 55 Ca 0.01 -1.86 0.28 0.00 0.00 0.00 0.00 44.72 43.14 1ueq s GLY 55 CO 0.98 -1.38 1.92 -0.56 0.00 0.00 0.00 173.10 174.06 1ueq h PRO 56 N 2.31 0.00 0.02 2.90 0.13 -1.88 -1.02 132.00 134.44 1ueq h PRO 56 Ca -0.29 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1ueq h PRO 56 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ueq h PRO 56 CO 0.42 0.14 -0.01 0.00 -0.23 0.00 0.00 178.00 178.32 1ueq h ALA 57 N 1.86 -0.02 -0.16 -0.56 0.00 -1.88 -3.17 119.26 115.33 1ueq h ALA 57 Ca -0.00 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1ueq h ALA 57 Cb 0.60 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1ueq h ALA 57 CO 0.02 -0.08 0.05 0.00 0.00 0.00 0.00 179.25 179.24 1ueq h ALA 58 N -0.00 0.17 -0.65 0.00 0.00 -1.71 -2.65 119.26 114.42 1ueq h ALA 58 Ca -0.00 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ueq h ALA 58 Cb 0.78 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1ueq h ALA 58 CO 0.00 -0.38 0.43 1.96 0.00 0.00 0.00 179.25 181.26 1ueq h GLN 59 N 0.13 0.82 0.00 0.00 4.20 -1.33 -2.23 115.11 116.70 1ueq h GLN 59 Ca 0.07 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1ueq h GLN 59 Cb 0.04 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 1ueq h GLN 59 CO -0.07 0.55 -0.06 0.22 -0.67 0.00 0.00 178.83 178.79 1ueq h ASP 60 N 0.85 0.00 0.00 1.46 3.58 -1.44 -3.47 116.42 117.40 1ueq h ASP 60 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1ueq h ASP 60 Cb -0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.00 1ueq h ASP 60 CO -0.06 0.06 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1ueq n GLY 61 N 0.54 0.33 0.14 -0.78 0.00 -0.84 -4.84 105.19 99.74 1ueq n GLY 61 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1ueq n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ueq h LYS 62 N 0.81 0.00 -6.29 1.61 6.56 -1.87 -3.47 116.57 113.92 1ueq h LYS 62 Ca 0.00 0.00 -0.68 0.00 -1.06 0.00 0.00 60.65 58.91 1ueq h LYS 62 Cb 0.35 0.00 -0.17 0.00 -0.57 0.00 0.00 32.23 31.83 1ueq h LYS 62 CO 0.00 0.04 -0.70 1.41 -2.06 0.00 0.00 179.45 178.14 1ueq s MET 63 N -3.28 2.56 0.31 3.15 1.75 -1.26 -4.99 119.30 117.54 1ueq s MET 63 Ca 0.01 -0.71 0.06 0.00 -1.25 0.00 0.00 55.69 53.80 1ueq s MET 63 Cb 0.08 -2.50 -0.02 0.00 2.84 0.00 0.00 34.83 35.23 1ueq s MET 63 CO 0.76 0.61 0.29 0.39 -0.65 0.00 0.00 175.02 176.42 1ueq n GLU 64 N 1.60 0.42 -3.53 4.11 1.02 -1.26 -4.86 120.64 118.15 1ueq n GLU 64 Ca -0.16 -3.08 -0.25 0.00 -0.02 0.00 0.00 57.16 53.66 1ueq n GLU 64 Cb 0.53 2.58 -0.02 0.00 -0.02 0.00 0.00 31.44 34.51 1ueq n GLU 64 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ueq s THR 65 N -3.22 5.14 0.00 2.62 2.01 -1.26 -4.14 115.64 116.80 1ueq s THR 65 Ca 0.36 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1ueq s THR 65 Cb 0.01 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1ueq s THR 65 CO 0.26 -0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.37 1ueq n GLY 66 N -1.43 2.94 3.74 4.40 0.00 -0.89 -5.00 105.19 108.95 1ueq n GLY 66 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1ueq n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ueq s ASP 67 N -2.54 4.83 -0.24 1.61 1.01 -1.26 -4.53 116.67 115.56 1ueq s ASP 67 Ca 0.00 2.37 -0.06 0.00 0.71 0.00 0.00 52.55 55.56 1ueq s ASP 67 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1ueq s ASP 67 CO 0.00 -1.84 0.04 -0.69 0.21 0.00 0.00 175.17 172.90 1ueq s VAL 68 N -1.76 4.14 0.04 -1.27 1.01 -0.60 -0.50 120.40 121.46 1ueq s VAL 68 Ca 0.76 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 1ueq s VAL 68 Cb -0.30 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1ueq s VAL 68 CO 0.38 0.37 1.18 -0.63 0.00 0.00 0.00 175.10 176.40 1ueq s ILE 69 N 1.47 4.13 -0.05 2.22 1.09 -0.28 -1.49 121.20 128.28 1ueq s ILE 69 Ca 0.05 1.52 -0.08 0.00 -1.10 0.00 0.00 60.65 61.04 1ueq s ILE 69 Cb -0.15 -3.97 -0.03 0.00 -1.06 0.00 0.00 42.46 37.25 1ueq s ILE 69 CO 0.02 0.10 -0.16 0.52 -0.10 0.00 0.00 174.94 175.32 1ueq n VAL 70 N 4.02 1.27 -4.10 2.92 0.31 -0.42 -4.59 118.33 117.74 1ueq n VAL 70 Ca 0.09 0.21 -0.14 0.00 -0.01 0.00 0.00 64.34 64.50 1ueq n VAL 70 Cb 0.47 -1.91 -0.11 0.00 -0.91 0.00 0.00 33.84 31.38 1ueq n VAL 70 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1ueq s TYR 71 N -2.40 0.80 -0.13 3.52 1.51 -1.23 -1.68 117.35 117.75 1ueq s TYR 71 Ca -0.14 -0.54 -0.01 0.00 -1.01 0.00 0.00 57.07 55.36 1ueq s TYR 71 Cb 0.03 -0.47 0.04 0.00 -0.11 0.00 0.00 41.96 41.44 1ueq s TYR 71 CO 0.21 -0.06 -0.02 0.42 -1.11 0.00 0.00 175.55 174.98 1ueq s ILE 72 N -1.64 0.75 0.00 2.71 1.01 -0.46 -1.22 121.20 122.35 1ueq s ILE 72 Ca -0.06 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.30 1ueq s ILE 72 Cb -0.08 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.45 1ueq s ILE 72 CO 0.00 0.17 0.00 -3.20 0.00 0.00 0.00 174.94 171.91 1ueq n ASN 73 N 5.01 0.00 0.00 3.58 2.85 0.27 -0.94 115.26 126.03 1ueq n ASN 73 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 1ueq n ASN 73 Cb 0.49 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.51 1ueq n ASN 73 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1ueq n GLU 74 N 0.00 0.27 -2.43 1.20 2.13 -1.26 -4.78 120.64 115.77 1ueq n GLU 74 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 1ueq n GLU 74 Cb 0.00 -0.02 -0.03 0.00 0.27 0.00 0.00 31.44 31.66 1ueq n GLU 74 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1ueq s VAL 75 N 0.00 4.23 -0.31 6.31 1.01 -0.12 -4.97 120.40 126.54 1ueq s VAL 75 Ca 0.00 1.54 -0.28 0.00 0.00 0.00 0.00 61.98 63.23 1ueq s VAL 75 Cb 0.00 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1ueq s VAL 75 CO 0.00 -0.04 1.82 0.00 0.00 0.00 0.00 175.10 176.88 1ueq n VAL 77 N 7.41 0.86 -0.13 0.00 0.24 -0.67 -4.81 118.33 121.23 1ueq n VAL 77 Ca 0.23 -0.93 0.14 0.00 -2.04 0.00 0.00 64.34 61.74 1ueq n VAL 77 Cb 0.46 0.61 0.51 0.00 -1.47 0.00 0.00 33.84 33.95 1ueq n VAL 77 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 1ueq h LEU 78 N 2.77 0.37 -3.02 1.34 8.10 -1.79 0.22 115.31 123.30 1ueq h LEU 78 Ca 0.00 0.02 0.00 0.00 0.11 0.00 0.00 57.88 58.01 1ueq h LEU 78 Cb 0.79 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.95 1ueq h LEU 78 CO 0.00 0.21 0.00 0.61 -4.11 0.00 0.00 178.44 175.15 1ueq n GLY 79 N -1.52 4.28 3.80 0.17 0.00 -1.26 -4.35 105.19 106.31 1ueq n GLY 79 Ca 0.12 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 1ueq n GLY 79 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ueq s HIS 80 N -2.36 2.92 0.31 1.61 2.46 0.06 -3.88 115.29 116.41 1ueq s HIS 80 Ca 0.25 1.49 -0.21 0.00 0.47 0.00 0.00 55.06 57.06 1ueq s HIS 80 Cb 0.21 -2.98 -0.09 0.00 -0.13 0.00 0.00 32.58 29.59 1ueq s HIS 80 CO 0.03 -1.37 0.84 0.95 -2.47 0.00 0.00 174.74 172.73 1ueq s THR 81 N -2.78 4.44 0.46 0.89 -4.23 -1.26 -4.87 115.64 108.28 1ueq s THR 81 Ca 0.61 1.44 0.16 0.00 -1.18 0.00 0.00 61.69 62.72 1ueq s THR 81 Cb -0.16 -3.82 0.33 0.00 1.34 0.00 0.00 72.50 70.20 1ueq s THR 81 CO 0.49 0.02 2.00 -0.74 -0.54 0.00 0.00 174.62 175.85 1ueq h HIS 82 N 2.85 0.33 0.48 3.99 2.76 -1.94 -0.98 115.15 122.63 1ueq h HIS 82 Ca -0.48 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 57.69 1ueq h HIS 82 Cb 1.19 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 30.02 1ueq h HIS 82 CO 0.62 0.16 -0.41 0.00 -1.30 0.00 0.00 177.93 177.01 1ueq h ALA 83 N 1.73 -0.93 -0.37 5.26 0.00 -1.99 0.12 119.26 123.09 1ueq h ALA 83 Ca 0.24 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1ueq h ALA 83 Cb 0.55 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1ueq h ALA 83 CO -0.06 -1.05 -0.08 0.22 0.00 0.00 0.00 179.25 178.28 1ueq h ASP 84 N -0.88 0.71 -0.83 0.00 1.82 -1.83 -1.82 116.42 113.59 1ueq h ASP 84 Ca -0.05 -0.36 0.01 0.00 -0.39 0.00 0.00 57.03 56.24 1ueq h ASP 84 Cb 0.76 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 40.53 1ueq h ASP 84 CO -0.02 0.90 0.55 0.58 -1.61 0.00 0.00 179.24 179.64 1ueq h VAL 85 N 0.50 1.21 -0.45 2.25 2.07 -1.14 0.28 116.25 120.98 1ueq h VAL 85 Ca 0.09 -0.39 -0.14 0.00 0.82 0.00 0.00 66.70 67.09 1ueq h VAL 85 Cb 0.59 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1ueq h VAL 85 CO 0.04 0.21 -0.25 0.58 0.02 0.00 0.00 177.57 178.16 1ueq h VAL 86 N 1.12 1.27 -0.38 2.57 2.07 -0.91 -1.51 116.25 120.49 1ueq h VAL 86 Ca 0.30 -1.41 -0.06 0.00 0.82 0.00 0.00 66.70 66.35 1ueq h VAL 86 Cb -0.13 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1ueq h VAL 86 CO -0.07 0.48 -0.01 0.07 0.02 0.00 0.00 177.57 178.07 1ueq h LYS 87 N 0.81 0.60 -0.32 1.57 5.09 -0.31 -2.10 116.57 121.91 1ueq h LYS 87 Ca 0.10 -0.14 -0.03 0.00 0.09 0.00 0.00 60.65 60.66 1ueq h LYS 87 Cb 0.82 -0.08 -0.01 0.00 0.10 0.00 0.00 32.23 33.06 1ueq h LYS 87 CO 0.07 0.63 0.07 -0.07 -2.09 0.00 0.00 179.45 178.07 1ueq h LEU 88 N 0.57 0.49 -1.65 7.07 3.38 -0.31 0.63 115.31 125.49 1ueq h LEU 88 Ca 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1ueq h LEU 88 Cb 0.38 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1ueq h LEU 88 CO 0.01 0.60 0.10 -0.26 0.09 0.00 0.00 178.44 178.99 1ueq h PHE 89 N 0.36 0.33 0.00 1.13 0.04 -0.86 -0.22 116.94 117.71 1ueq h PHE 89 Ca 0.10 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1ueq h PHE 89 Cb 0.30 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1ueq h PHE 89 CO 0.02 0.26 0.00 1.96 -0.60 0.00 0.00 178.31 179.94 1ueq h GLN 90 N 0.34 0.00 0.00 1.51 4.20 -0.83 -3.22 115.11 117.11 1ueq h GLN 90 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1ueq h GLN 90 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1ueq h GLN 90 CO -0.01 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.58 1ueq n SER 91 N -3.07 0.00 -4.62 1.46 7.64 0.16 -4.54 113.62 110.66 1ueq n SER 91 Ca 0.04 0.02 -0.42 0.00 1.01 0.00 0.00 58.87 59.52 1ueq n SER 91 Cb 0.52 -0.31 -0.04 0.00 -1.01 0.00 0.00 64.21 63.37 1ueq n SER 91 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ueq s VAL 92 N -2.62 4.71 1.08 0.44 1.01 -1.15 -5.07 120.40 118.81 1ueq s VAL 92 Ca 0.20 1.29 -0.18 0.00 0.00 0.00 0.00 61.98 63.30 1ueq s VAL 92 Cb 0.15 -4.22 0.25 0.00 0.00 0.00 0.00 36.38 32.56 1ueq s VAL 92 CO 0.35 -0.33 1.24 -2.16 0.00 0.00 0.00 175.10 174.21 1ueq s PRO 93 N 3.15 -0.27 0.48 2.72 0.04 -1.26 -5.01 135.00 134.84 1ueq s PRO 93 Ca 0.36 -0.31 -0.24 0.00 0.04 0.00 0.00 61.00 60.85 1ueq s PRO 93 Cb -0.14 -1.73 -0.07 0.00 0.04 0.00 0.00 34.50 32.61 1ueq s PRO 93 CO 0.14 -3.04 1.34 0.42 0.04 0.00 0.00 177.00 175.89 1ueq s ILE 94 N -3.53 2.33 0.00 0.56 1.01 -1.26 -3.50 121.20 116.81 1ueq s ILE 94 Ca 0.73 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.65 1ueq s ILE 94 Cb -0.06 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1ueq s ILE 94 CO 0.54 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.11 1ueq n GLY 95 N 0.63 1.21 3.91 6.18 0.00 -0.78 -4.96 105.19 111.38 1ueq n GLY 95 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1ueq n GLY 95 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ueq s GLN 96 N -0.16 2.87 -0.04 1.61 -1.52 -1.23 -4.72 119.66 116.46 1ueq s GLN 96 Ca 0.00 0.13 0.03 0.00 -1.95 0.00 0.00 55.36 53.58 1ueq s GLN 96 Cb 0.00 -2.19 0.00 0.00 -0.22 0.00 0.00 33.01 30.60 1ueq s GLN 96 CO 0.00 -0.83 -0.14 -1.54 -0.25 0.00 0.00 175.29 172.53 1ueq s SER 97 N -4.33 1.89 0.04 5.90 1.04 -1.26 -0.23 113.70 116.74 1ueq s SER 97 Ca 0.55 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.70 1ueq s SER 97 Cb -0.11 -0.60 -0.04 0.00 0.10 0.00 0.00 66.02 65.38 1ueq s SER 97 CO 0.47 0.11 0.01 0.68 0.98 0.00 0.00 173.24 175.49 1ueq s VAL 98 N 0.20 4.14 0.33 5.02 -7.23 -0.65 -4.93 120.40 117.29 1ueq s VAL 98 Ca -0.06 -0.74 -0.19 0.00 -1.81 0.00 0.00 61.98 59.18 1ueq s VAL 98 Cb -0.12 -2.90 -0.09 0.00 0.56 0.00 0.00 36.38 33.82 1ueq s VAL 98 CO 0.02 0.27 0.82 0.20 -0.31 0.00 0.00 175.10 176.10 1ueq s ASN 99 N -1.87 6.96 -0.10 4.85 0.01 -1.26 -1.74 114.94 121.79 1ueq s ASN 99 Ca 0.22 1.50 -0.06 0.00 -0.71 0.00 0.00 52.86 53.81 1ueq s ASN 99 Cb -0.12 -2.46 0.04 0.00 0.41 0.00 0.00 41.25 39.13 1ueq s ASN 99 CO 0.14 -0.18 0.25 -0.76 -1.51 0.00 0.00 177.10 175.04 1ueq s LEU 100 N -2.69 0.59 -0.15 0.60 1.43 -0.45 -0.57 118.68 117.44 1ueq s LEU 100 Ca 0.53 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 54.12 1ueq s LEU 100 Cb -0.12 0.77 -0.03 0.00 0.03 0.00 0.00 46.19 46.84 1ueq s LEU 100 CO 0.18 -0.14 -0.04 -0.69 0.23 0.00 0.00 176.35 175.88 1ueq s VAL 101 N 0.94 3.86 0.34 -1.59 1.01 -0.36 -1.33 120.40 123.28 1ueq s VAL 101 Ca -0.07 -0.37 0.09 0.00 0.00 0.00 0.00 61.98 61.63 1ueq s VAL 101 Cb -0.08 -2.68 -0.06 0.00 0.00 0.00 0.00 36.38 33.56 1ueq s VAL 101 CO -0.06 0.50 -0.03 -0.76 0.00 0.00 0.00 175.10 174.75 1ueq s LEU 102 N 0.30 2.88 -0.05 3.92 1.43 -0.60 -1.31 118.68 125.25 1ueq s LEU 102 Ca -0.04 -1.08 0.03 0.00 -1.03 0.00 0.00 54.13 52.01 1ueq s LEU 102 Cb -0.14 -1.20 0.01 0.00 0.03 0.00 0.00 46.19 44.88 1ueq s LEU 102 CO 0.03 -0.23 -0.12 0.00 0.23 0.00 0.00 176.35 176.26 1ueq s ARG 104 N 0.45 3.79 0.00 0.00 3.52 0.14 -1.56 118.95 125.28 1ueq s ARG 104 Ca -0.10 -0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 1ueq s ARG 104 Cb -0.13 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 29.89 1ueq s ARG 104 CO 0.03 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.85 1ueq n GLY 105 N 4.63 -0.78 3.87 8.12 0.00 -1.26 -1.06 105.19 118.71 1ueq n GLY 105 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1ueq n GLY 105 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ueq s TYR 106 N -0.20 3.47 0.86 1.61 1.51 -1.26 -4.80 117.35 118.54 1ueq s TYR 106 Ca 0.00 0.84 -0.12 0.00 -1.01 0.00 0.00 57.07 56.78 1ueq s TYR 106 Cb 0.00 -2.22 0.11 0.00 -0.11 0.00 0.00 41.96 39.73 1ueq s TYR 106 CO 0.00 0.33 1.13 -1.25 -1.11 0.00 0.00 175.55 174.65 1ueq s PRO 107 N -2.62 1.54 0.33 -1.71 0.04 -1.26 -4.71 135.00 126.60 1ueq s PRO 107 Ca 0.44 0.38 -0.26 0.00 0.04 0.00 0.00 61.00 61.60 1ueq s PRO 107 Cb -0.12 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 1ueq s PRO 107 CO 0.21 -1.94 0.97 -0.51 0.04 0.00 0.00 177.00 175.78 1ueq s LEU 108 N -5.90 4.34 0.35 -3.56 1.43 -1.26 -4.90 118.68 109.18 1ueq s LEU 108 Ca 0.63 1.91 0.19 0.00 -1.03 0.00 0.00 54.13 55.82 1ueq s LEU 108 Cb -0.14 -3.99 0.43 0.00 0.03 0.00 0.00 46.19 42.52 1ueq s LEU 108 CO 0.53 -0.13 1.61 1.55 0.23 0.00 0.00 176.35 180.15 1ueq h PRO 109 N 3.18 0.00 -4.68 1.29 0.13 -1.96 -3.39 132.00 126.57 1ueq h PRO 109 Ca -0.47 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.00 1ueq h PRO 109 Cb 1.20 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 1ueq h PRO 109 CO 0.65 0.38 -0.71 0.12 -0.23 0.00 0.00 178.00 178.20 1ueq s PHE 110 N -3.28 3.74 -0.36 1.56 5.36 -1.26 -5.09 117.98 118.64 1ueq s PHE 110 Ca 0.02 -2.95 -0.29 0.00 -0.96 0.00 0.00 56.93 52.76 1ueq s PHE 110 Cb 0.09 -2.91 0.01 0.00 -0.34 0.00 0.00 43.02 39.87 1ueq s PHE 110 CO 0.70 -0.95 1.22 -0.51 -1.46 0.00 0.00 175.22 174.22 1ueq s ASP 111 N 0.96 6.68 0.27 6.13 1.11 -1.26 -4.94 116.67 125.61 1ueq s ASP 111 Ca 0.10 0.93 0.25 0.00 0.18 0.00 0.00 52.55 54.02 1ueq s ASP 111 Cb -0.19 -2.54 0.89 0.00 1.07 0.00 0.00 42.92 42.15 1ueq s ASP 111 CO -0.08 -1.13 1.75 1.55 1.18 0.00 0.00 175.17 178.45 1ueq h PRO 112 N 9.19 0.00 0.00 8.23 0.13 -1.98 -3.24 132.00 144.33 1ueq h PRO 112 Ca -0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 1ueq h PRO 112 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1ueq h PRO 112 CO 1.06 0.00 -1.04 -1.91 -0.23 0.00 0.00 178.00 175.89 1ueq n GLU 113 N -2.36 2.86 -1.03 0.86 4.07 -1.26 -5.16 120.64 118.62 1ueq n GLU 113 Ca 0.04 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.27 1ueq n GLU 113 Cb 0.34 -1.01 -0.04 0.00 -0.06 0.00 0.00 31.44 30.67 1ueq n GLU 113 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1ueq n ASP 114 N -2.15 -6.15 0.05 4.31 2.03 -1.23 -4.48 116.55 108.92 1ueq n ASP 114 Ca -0.01 0.56 0.12 0.00 0.52 0.00 0.00 54.79 55.98 1ueq n ASP 114 Cb 0.52 -3.21 0.22 0.00 -0.72 0.00 0.00 41.12 37.92 1ueq n ASP 114 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ueq n PRO 115 N -3.53 0.22 0.00 -0.67 -0.04 -1.26 -5.01 135.00 124.71 1ueq n PRO 115 Ca -0.01 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1ueq n PRO 115 Cb 0.47 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1ueq n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ueq n ALA 116 N -1.75 0.00 -1.01 0.55 0.00 -1.26 -5.16 120.51 111.88 1ueq n ALA 116 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.58 1ueq n ALA 116 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 1ueq n ALA 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ueq n ASN 117 N 0.00 -5.49 -2.68 0.00 3.02 -1.26 -4.87 115.26 103.98 1ueq n ASN 117 Ca 0.00 1.07 -0.10 0.00 -0.03 0.00 0.00 54.58 55.52 1ueq n ASN 117 Cb 0.00 -3.40 -0.01 0.00 -0.61 0.00 0.00 39.78 35.77 1ueq n ASN 117 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1ueq n SER 118 N -3.37 -2.64 0.00 6.41 2.88 -1.26 -4.91 113.62 110.73 1ueq n SER 118 Ca -0.05 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1ueq n SER 118 Cb 0.45 -2.29 0.00 0.00 -0.75 0.00 0.00 64.21 61.62 1ueq n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ueq n GLY 119 N -0.75 -0.56 3.55 0.46 0.00 -1.26 -4.34 105.19 102.30 1ueq n GLY 119 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1ueq n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ueq s PRO 120 N 0.00 2.75 0.26 1.61 0.04 -1.26 -4.90 135.00 133.50 1ueq s PRO 120 Ca 0.00 0.36 -0.17 0.00 0.04 0.00 0.00 61.00 61.23 1ueq s PRO 120 Cb 0.00 -4.40 0.01 0.00 0.04 0.00 0.00 34.50 30.15 1ueq s PRO 120 CO 0.00 -2.65 0.60 -1.12 0.04 0.00 0.00 177.00 173.87 1ueq s SER 121 N 7.17 -0.18 -0.47 6.66 0.01 -1.26 -5.13 113.70 120.50 1ueq s SER 121 Ca 0.61 -0.76 0.07 0.00 1.31 0.00 0.00 55.95 57.18 1ueq s SER 121 Cb -0.11 0.66 0.24 0.00 0.21 0.00 0.00 66.02 67.01 1ueq s SER 121 CO 0.18 -1.24 0.56 -1.54 0.41 0.00 0.00 173.24 171.61 1ueq n SER 122 N -0.42 1.17 0.00 2.44 3.41 -1.26 -5.21 113.62 113.75 1ueq n SER 122 Ca -0.03 -2.88 0.00 0.00 -0.26 0.00 0.00 58.87 55.70 1ueq n SER 122 Cb 0.60 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1ueq n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49