#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3d s SER 2 N 0.00 -0.48 0.56 1.61 1.04 -1.26 -5.02 113.70 110.15 1x3d s SER 2 Ca 0.00 0.90 0.35 0.00 0.48 0.00 0.00 55.95 57.67 1x3d s SER 2 Cb 0.00 0.88 1.54 0.00 0.10 0.00 0.00 66.02 68.54 1x3d s SER 2 CO 0.00 -0.16 2.05 0.77 0.98 0.00 0.00 173.24 176.88 1x3d h SER 3 N 5.82 0.00 -2.19 7.02 4.64 -2.13 -3.48 113.55 123.23 1x3d h SER 3 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1x3d h SER 3 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1x3d h SER 3 CO 0.24 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.84 1x3d n GLY 4 N -0.22 -0.86 0.07 -0.77 0.00 -1.26 -4.88 105.19 97.27 1x3d n GLY 4 Ca -0.00 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 1x3d n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x3d h SER 5 N 0.00 0.10 -6.72 1.61 0.02 -2.06 -3.46 113.55 103.05 1x3d h SER 5 Ca 0.00 -0.17 -0.53 0.00 -0.84 0.00 0.00 61.79 60.25 1x3d h SER 5 Cb 0.00 -0.03 -0.24 0.00 0.14 0.00 0.00 62.40 62.27 1x3d h SER 5 CO 0.00 0.24 -0.81 -1.54 -1.14 0.00 0.00 176.83 173.58 1x3d n SER 6 N -4.94 -0.10 -4.78 3.07 3.41 -1.26 -4.89 113.62 104.12 1x3d n SER 6 Ca -0.06 -1.09 -0.31 0.00 -0.26 0.00 0.00 58.87 57.15 1x3d n SER 6 Cb 0.11 -1.37 -0.06 0.00 -0.26 0.00 0.00 64.21 62.63 1x3d n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x3d s GLY 7 N -3.70 2.03 0.26 5.00 0.00 -1.26 -5.12 107.32 104.52 1x3d s GLY 7 Ca 0.28 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 44.04 1x3d s GLY 7 CO 0.87 -0.92 0.10 0.00 0.00 0.00 0.00 173.10 173.14 1x3d s ALA 8 N -1.34 1.71 -0.62 3.20 0.00 -1.26 -5.11 121.76 118.33 1x3d s ALA 8 Ca 0.28 -1.86 0.04 0.00 0.00 0.00 0.00 51.96 50.43 1x3d s ALA 8 Cb -0.12 1.07 0.16 0.00 0.00 0.00 0.00 23.12 24.23 1x3d s ALA 8 CO 0.20 -0.47 0.43 -1.83 0.00 0.00 0.00 175.76 174.09 1x3d s GLU 9 N -4.04 2.05 -0.42 0.00 1.03 -1.26 -5.06 118.70 111.00 1x3d s GLU 9 Ca 0.38 -2.96 -0.14 0.00 0.03 0.00 0.00 54.97 52.28 1x3d s GLU 9 Cb 0.08 -2.97 0.04 0.00 -0.80 0.00 0.00 34.13 30.48 1x3d s GLU 9 CO 0.14 -1.28 0.31 0.42 -1.33 0.00 0.00 175.26 173.52 1x3d s ILE 10 N -0.95 5.02 -0.30 1.83 -1.09 -1.26 -5.01 121.20 119.45 1x3d s ILE 10 Ca 0.25 -0.90 -0.16 0.00 -2.23 0.00 0.00 60.65 57.61 1x3d s ILE 10 Cb -0.06 -3.89 0.18 0.00 -1.58 0.00 0.00 42.46 37.11 1x3d s ILE 10 CO -0.14 -0.40 1.13 -0.36 -1.23 0.00 0.00 174.94 173.93 1x3d s PHE 11 N 1.62 -0.33 -0.35 3.97 0.08 -1.26 -5.11 117.98 116.59 1x3d s PHE 11 Ca 0.04 0.63 -0.33 0.00 0.12 0.00 0.00 56.93 57.39 1x3d s PHE 11 Cb -0.21 0.20 -0.14 0.00 -0.57 0.00 0.00 43.02 42.30 1x3d s PHE 11 CO 0.08 -0.16 1.20 0.25 -0.10 0.00 0.00 175.22 176.48 1x3d n THR 12 N 3.74 0.00 -3.53 0.64 -2.24 -1.26 -4.89 114.28 106.74 1x3d n THR 12 Ca -0.15 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.29 1x3d n THR 12 Cb 0.56 -0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 68.39 1x3d n THR 12 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1x3d s THR 13 N 2.51 5.04 -0.15 4.28 -4.23 -1.26 -5.09 115.64 116.74 1x3d s THR 13 Ca 0.76 0.42 0.01 0.00 -1.18 0.00 0.00 61.69 61.70 1x3d s THR 13 Cb -1.06 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 69.14 1x3d s THR 13 CO 0.56 0.15 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.86 1x3d s LEU 14 N -2.26 2.37 -1.31 4.79 1.02 -1.26 -4.74 118.68 117.28 1x3d s LEU 14 Ca 0.38 -0.52 -0.12 0.00 0.02 0.00 0.00 54.13 53.90 1x3d s LEU 14 Cb -0.13 -1.53 0.00 0.00 0.02 0.00 0.00 46.19 44.55 1x3d s LEU 14 CO 0.20 0.07 0.52 -1.20 0.02 0.00 0.00 176.35 175.97 1x3d n SER 15 N 4.13 -2.22 -4.57 2.29 7.64 -1.26 -4.97 113.62 114.65 1x3d n SER 15 Ca -0.19 -1.09 -0.26 0.00 1.01 0.00 0.00 58.87 58.34 1x3d n SER 15 Cb 0.51 -2.77 -0.10 0.00 -1.01 0.00 0.00 64.21 60.84 1x3d n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x3d s GLU 17 N -3.65 2.48 0.95 0.00 4.04 -1.26 -4.88 118.70 116.38 1x3d s GLU 17 Ca 0.33 1.66 -0.12 0.00 0.04 0.00 0.00 54.97 56.89 1x3d s GLU 17 Cb 0.04 -1.88 0.16 0.00 0.02 0.00 0.00 34.13 32.47 1x3d s GLU 17 CO 0.17 -1.55 1.09 -1.25 -1.84 0.00 0.00 175.26 171.88 1x3d s PRO 18 N -3.86 0.83 0.68 -4.83 0.04 -1.26 -4.98 135.00 121.62 1x3d s PRO 18 Ca 0.73 0.67 -0.15 0.00 0.04 0.00 0.00 61.00 62.29 1x3d s PRO 18 Cb -0.27 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1x3d s PRO 18 CO 0.42 -2.49 1.13 0.34 0.04 0.00 0.00 177.00 176.44 1x3d s ASP 19 N -3.43 4.88 -0.10 6.66 2.15 -1.26 -4.58 116.67 120.98 1x3d s ASP 19 Ca 0.64 2.09 -0.29 0.00 0.43 0.00 0.00 52.55 55.42 1x3d s ASP 19 Cb -0.18 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 39.83 1x3d s ASP 19 CO 0.57 -1.79 1.54 -0.63 -0.17 0.00 0.00 175.17 174.69 1x3d s ILE 20 N -2.24 3.79 0.83 4.11 1.01 -1.26 -4.78 121.20 122.66 1x3d s ILE 20 Ca 0.69 0.95 -0.11 0.00 0.00 0.00 0.00 60.65 62.18 1x3d s ILE 20 Cb -0.23 -3.63 0.09 0.00 0.01 0.00 0.00 42.46 38.70 1x3d s ILE 20 CO 0.42 -0.10 1.09 -2.16 0.00 0.00 0.00 174.94 174.19 1x3d s PRO 21 N 3.94 1.83 0.57 2.79 0.04 -1.26 -4.99 135.00 137.92 1x3d s PRO 21 Ca 0.68 1.02 -0.16 0.00 0.04 0.00 0.00 61.00 62.58 1x3d s PRO 21 Cb -0.29 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1x3d s PRO 21 CO 0.25 -1.90 1.03 -0.80 0.04 0.00 0.00 177.00 175.63 1x3d s ASN 22 N -3.41 6.04 0.48 6.66 -0.87 -1.26 -4.39 114.94 118.20 1x3d s ASN 22 Ca 0.62 1.72 -0.22 0.00 -1.57 0.00 0.00 52.86 53.41 1x3d s ASN 22 Cb -0.17 -2.52 -0.07 0.00 -0.02 0.00 0.00 41.25 38.46 1x3d s ASN 22 CO 0.56 -0.99 1.15 -2.16 -2.57 0.00 0.00 177.10 173.10 1x3d s PRO 23 N -4.16 3.64 0.55 -0.60 0.04 -1.26 -4.72 135.00 128.49 1x3d s PRO 23 Ca 0.62 1.73 -0.19 0.00 0.04 0.00 0.00 61.00 63.19 1x3d s PRO 23 Cb -0.14 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1x3d s PRO 23 CO 0.37 -0.64 1.13 -1.25 0.04 0.00 0.00 177.00 176.64 1x3d s PRO 24 N -2.88 3.31 0.51 0.56 0.04 -1.26 -4.89 135.00 130.40 1x3d s PRO 24 Ca 0.66 1.59 0.08 0.00 0.04 0.00 0.00 61.00 63.37 1x3d s PRO 24 Cb -0.27 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.31 1x3d s PRO 24 CO 0.32 -0.88 0.57 -0.98 0.04 0.00 0.00 177.00 176.07 1x3d s ARG 25 N -3.35 2.41 -0.25 4.56 1.70 0.83 -4.90 118.95 119.94 1x3d s ARG 25 Ca 0.72 -1.68 -0.10 0.00 -0.47 0.00 0.00 55.73 54.20 1x3d s ARG 25 Cb -0.24 -2.45 -0.05 0.00 -0.57 0.00 0.00 34.95 31.65 1x3d s ARG 25 CO 0.28 -0.58 0.15 0.42 -1.08 0.00 0.00 175.30 174.49 1x3d s ILE 26 N -2.62 5.14 -0.28 4.99 -1.09 -1.26 -2.11 121.20 123.97 1x3d s ILE 26 Ca 0.50 0.11 0.08 0.00 -2.23 0.00 0.00 60.65 59.11 1x3d s ILE 26 Cb -0.05 -3.41 -0.10 0.00 -1.58 0.00 0.00 42.46 37.32 1x3d s ILE 26 CO 0.31 0.32 0.31 0.00 -1.23 0.00 0.00 174.94 174.64 1x3d n ALA 27 N 4.63 2.86 -3.34 9.38 0.00 -1.22 -4.96 120.51 127.86 1x3d n ALA 27 Ca -0.15 -0.23 0.02 0.00 0.00 0.00 0.00 53.44 53.08 1x3d n ALA 27 Cb 0.52 -0.30 -0.04 0.00 0.00 0.00 0.00 19.45 19.63 1x3d n ALA 27 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x3d s ASN 28 N -2.16 -0.43 -0.16 0.00 3.84 -1.25 -5.00 114.94 109.78 1x3d s ASN 28 Ca 0.01 0.59 0.00 0.00 0.21 0.00 0.00 52.86 53.68 1x3d s ASN 28 Cb 0.06 1.49 0.00 0.00 -0.55 0.00 0.00 41.25 42.25 1x3d s ASN 28 CO 0.35 -0.08 -0.16 -0.13 -2.79 0.00 0.00 177.10 174.29 1x3d s ARG 29 N 2.33 3.19 0.05 0.43 0.52 -1.26 0.03 118.95 124.24 1x3d s ARG 29 Ca -0.02 -0.76 0.03 0.00 -0.52 0.00 0.00 55.73 54.46 1x3d s ARG 29 Cb -0.05 -2.62 -0.03 0.00 0.52 0.00 0.00 34.95 32.78 1x3d s ARG 29 CO -0.17 -0.00 -0.09 0.95 0.02 0.00 0.00 175.30 176.01 1x3d s THR 30 N 0.85 0.65 -2.00 0.02 -4.23 -0.15 -4.17 115.64 106.61 1x3d s THR 30 Ca -0.05 -1.18 0.15 0.00 -1.18 0.00 0.00 61.69 59.44 1x3d s THR 30 Cb -0.15 -0.76 0.43 0.00 1.34 0.00 0.00 72.50 73.35 1x3d s THR 30 CO -0.01 -0.39 1.32 0.29 -0.54 0.00 0.00 174.62 175.29 1x3d n LYS 31 N 1.32 0.49 0.00 3.99 5.02 -1.26 -2.05 118.16 125.67 1x3d n LYS 31 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 1x3d n LYS 31 Cb 0.55 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 1x3d n LYS 31 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1x3d n ASN 32 N -0.99 0.18 -3.79 4.39 4.13 -1.26 -3.01 115.26 114.92 1x3d n ASN 32 Ca 0.11 -0.52 -0.08 0.00 1.68 0.00 0.00 54.58 55.77 1x3d n ASN 32 Cb 0.05 0.33 -0.03 0.00 -1.54 0.00 0.00 39.78 38.59 1x3d n ASN 32 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1x3d s SER 33 N -0.33 -0.12 -0.27 6.41 0.01 -0.87 -0.84 113.70 117.69 1x3d s SER 33 Ca 0.00 -0.82 -0.00 0.00 1.31 0.00 0.00 55.95 56.44 1x3d s SER 33 Cb 0.00 0.69 0.16 0.00 0.21 0.00 0.00 66.02 67.08 1x3d s SER 33 CO 0.00 -1.31 0.47 -0.76 0.41 0.00 0.00 173.24 172.05 1x3d s LEU 34 N -2.98 -0.98 0.12 2.44 1.43 -0.55 -0.98 118.68 117.18 1x3d s LEU 34 Ca 0.16 0.26 -0.23 0.00 -1.03 0.00 0.00 54.13 53.29 1x3d s LEU 34 Cb -0.04 1.49 -0.07 0.00 0.03 0.00 0.00 46.19 47.60 1x3d s LEU 34 CO 0.09 -0.30 0.70 -0.89 0.23 0.00 0.00 176.35 176.18 1x3d s THR 35 N 2.66 4.55 -0.04 5.49 2.01 0.10 -2.21 115.64 128.20 1x3d s THR 35 Ca 0.14 1.52 -0.02 0.00 0.31 0.00 0.00 61.69 63.64 1x3d s THR 35 Cb -0.14 -4.05 0.03 0.00 0.01 0.00 0.00 72.50 68.35 1x3d s THR 35 CO -0.21 0.51 0.06 -0.76 -0.69 0.00 0.00 174.62 173.53 1x3d s LEU 36 N -0.98 0.41 -0.01 4.42 1.43 -0.74 -3.38 118.68 119.82 1x3d s LEU 36 Ca 0.34 0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.58 1x3d s LEU 36 Cb -0.21 -0.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.90 1x3d s LEU 36 CO 0.23 -0.21 -0.17 -1.10 0.23 0.00 0.00 176.35 175.33 1x3d s GLN 37 N 1.84 2.30 0.32 1.70 -0.21 -0.90 -2.49 119.66 122.22 1x3d s GLN 37 Ca 0.00 -0.83 0.05 0.00 0.02 0.00 0.00 55.36 54.60 1x3d s GLN 37 Cb -0.12 -2.28 -0.03 0.00 1.00 0.00 0.00 33.01 31.58 1x3d s GLN 37 CO -0.03 0.58 0.20 1.67 -2.12 0.00 0.00 175.29 175.60 1x3d s TRP 38 N -0.81 1.66 0.50 0.91 -2.14 -0.99 -0.12 118.94 117.95 1x3d s TRP 38 Ca 0.13 -1.49 0.02 0.00 2.66 0.00 0.00 56.10 57.41 1x3d s TRP 38 Cb -0.11 -0.82 -0.02 0.00 -3.10 0.00 0.00 33.47 29.43 1x3d s TRP 38 CO 0.03 -0.65 0.01 -1.59 -2.66 0.00 0.00 176.95 172.08 1x3d s LYS 39 N -3.67 2.17 -0.17 3.25 -2.85 -1.26 -4.85 119.74 112.36 1x3d s LYS 39 Ca 0.36 -2.37 -0.09 0.00 -1.00 0.00 0.00 55.97 52.87 1x3d s LYS 39 Cb 0.04 -1.48 -0.05 0.00 -2.06 0.00 0.00 37.83 34.28 1x3d s LYS 39 CO 0.21 -0.35 0.13 0.00 0.10 0.00 0.00 175.35 175.44 1x3d s ALA 40 N -2.89 3.75 1.00 0.59 0.00 -1.26 -4.81 121.76 118.14 1x3d s ALA 40 Ca 0.08 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1x3d s ALA 40 Cb 0.02 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 21.04 1x3d s ALA 40 CO 0.04 0.32 0.00 -0.35 0.00 0.00 0.00 175.76 175.77 1x3d n PRO 41 N 3.00 -0.19 -3.02 0.00 -0.04 -1.26 -4.96 135.00 128.52 1x3d n PRO 41 Ca -0.17 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.86 1x3d n PRO 41 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 1x3d n PRO 41 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x3d s SER 42 N -1.52 6.46 -1.24 3.54 0.01 -1.26 -4.97 113.70 114.72 1x3d s SER 42 Ca 0.00 0.13 -0.20 0.00 1.31 0.00 0.00 55.95 57.18 1x3d s SER 42 Cb 0.00 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 1x3d s SER 42 CO 0.00 -0.73 1.85 -0.90 0.41 0.00 0.00 173.24 173.88 1x3d n ASP 43 N 6.34 3.91 0.03 2.44 5.68 -1.26 -4.53 116.55 129.16 1x3d n ASP 43 Ca 0.01 -2.80 -0.11 0.00 -0.50 0.00 0.00 54.79 51.39 1x3d n ASP 43 Cb 0.48 -1.74 -0.08 0.00 -1.14 0.00 0.00 41.12 38.64 1x3d n ASP 43 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1x3d h ASN 44 N 8.67 -0.14 0.00 -1.12 -1.07 -1.99 -3.46 115.58 116.48 1x3d h ASN 44 Ca 0.33 -0.43 0.00 0.00 0.07 0.00 0.00 56.30 56.27 1x3d h ASN 44 Cb 0.90 0.04 0.00 0.00 -2.07 0.00 0.00 38.32 37.18 1x3d h ASN 44 CO 1.35 0.45 0.00 0.61 0.07 0.00 0.00 177.43 179.91 1x3d n GLY 45 N 0.66 0.89 3.93 9.14 0.00 -1.26 -5.06 105.19 113.50 1x3d n GLY 45 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 1x3d n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3d s SER 46 N -1.00 5.31 -0.02 1.61 0.15 -1.26 -5.01 113.70 113.48 1x3d s SER 46 Ca 0.00 0.48 -0.30 0.00 0.70 0.00 0.00 55.95 56.83 1x3d s SER 46 Cb 0.00 -1.36 -0.06 0.00 -1.71 0.00 0.00 66.02 62.89 1x3d s SER 46 CO 0.00 -1.22 1.58 -1.59 1.20 0.00 0.00 173.24 173.21 1x3d s LYS 47 N -5.00 4.21 -0.20 5.44 -2.85 -1.26 -4.90 119.74 115.18 1x3d s LYS 47 Ca 0.56 2.15 -0.31 0.00 -1.00 0.00 0.00 55.97 57.37 1x3d s LYS 47 Cb -0.11 -3.79 -0.08 0.00 -2.06 0.00 0.00 37.83 31.79 1x3d s LYS 47 CO 0.43 -0.75 2.12 -0.89 0.10 0.00 0.00 175.35 176.36 1x3d n ILE 48 N 5.11 0.40 0.00 3.79 5.41 -1.26 -4.48 119.36 128.33 1x3d n ILE 48 Ca 0.16 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1x3d n ILE 48 Cb 0.42 -2.19 0.00 0.00 -0.71 0.00 0.00 39.64 37.17 1x3d n ILE 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1x3d n GLN 49 N 8.09 0.00 -4.14 0.38 6.02 0.03 -4.88 117.38 122.87 1x3d n GLN 49 Ca 0.30 0.81 -0.15 0.00 -0.01 0.00 0.00 57.00 57.95 1x3d n GLN 49 Cb 0.36 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.07 1x3d n GLN 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1x3d s ASN 50 N -2.64 0.99 -0.20 1.08 2.20 -1.23 -4.76 114.94 110.38 1x3d s ASN 50 Ca 0.00 -1.51 -0.08 0.00 -0.94 0.00 0.00 52.86 50.33 1x3d s ASN 50 Cb 0.00 0.61 -0.04 0.00 -2.00 0.00 0.00 41.25 39.82 1x3d s ASN 50 CO 0.00 -1.19 0.07 -0.36 -2.94 0.00 0.00 177.10 172.68 1x3d s PHE 51 N -3.29 3.24 -0.35 1.54 0.08 0.60 -3.26 117.98 116.53 1x3d s PHE 51 Ca 0.33 0.04 -0.10 0.00 0.12 0.00 0.00 56.93 57.33 1x3d s PHE 51 Cb 0.01 -2.12 0.02 0.00 -0.57 0.00 0.00 43.02 40.36 1x3d s PHE 51 CO 0.21 0.09 0.17 0.08 -0.10 0.00 0.00 175.22 175.67 1x3d s VAL 52 N 0.58 4.42 0.07 -0.44 1.01 -0.66 -2.26 120.40 123.12 1x3d s VAL 52 Ca 0.04 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1x3d s VAL 52 Cb -0.13 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1x3d s VAL 52 CO 0.01 -0.14 0.24 -0.22 0.00 0.00 0.00 175.10 174.98 1x3d s LEU 53 N 1.54 4.34 0.02 3.92 2.96 0.39 -2.58 118.68 129.27 1x3d s LEU 53 Ca 0.02 0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.24 1x3d s LEU 53 Cb -0.19 -3.02 -0.02 0.00 0.50 0.00 0.00 46.19 43.47 1x3d s LEU 53 CO 0.06 0.15 -0.01 -1.61 -1.32 0.00 0.00 176.35 173.62 1x3d s GLU 54 N -2.54 0.33 0.02 1.98 2.02 -1.00 -1.38 118.70 118.13 1x3d s GLU 54 Ca 0.36 -0.58 -0.24 0.00 0.02 0.00 0.00 54.97 54.53 1x3d s GLU 54 Cb -0.13 0.12 0.05 0.00 0.10 0.00 0.00 34.13 34.28 1x3d s GLU 54 CO 0.27 -0.06 0.54 1.67 0.02 0.00 0.00 175.26 177.71 1x3d s TRP 55 N -1.43 -0.46 -0.12 1.61 1.48 -1.07 -1.89 118.94 117.05 1x3d s TRP 55 Ca -0.16 0.62 0.00 0.00 -1.06 0.00 0.00 56.10 55.51 1x3d s TRP 55 Cb -0.10 0.34 0.12 0.00 -1.16 0.00 0.00 33.47 32.67 1x3d s TRP 55 CO -0.01 -0.61 1.66 -0.25 -4.06 0.00 0.00 176.95 173.68 1x3d n ASP 56 N 0.61 4.68 -2.18 -2.66 8.00 -1.20 -2.60 116.55 121.21 1x3d n ASP 56 Ca -0.19 -2.55 -0.01 0.00 0.71 0.00 0.00 54.79 52.75 1x3d n ASP 56 Cb 0.59 -0.87 -0.00 0.00 -0.02 0.00 0.00 41.12 40.82 1x3d n ASP 56 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x3d n GLU 57 N 0.62 -2.54 -4.22 -1.24 1.02 -1.26 0.10 120.64 113.11 1x3d n GLU 57 Ca 0.13 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.95 1x3d n GLU 57 Cb 0.63 -3.63 -0.05 0.00 -0.02 0.00 0.00 31.44 28.36 1x3d n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x3d n GLY 58 N -0.42 -0.29 0.13 0.62 0.00 -1.26 -4.85 105.19 99.12 1x3d n GLY 58 Ca 0.00 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1x3d n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x3d n LYS 59 N -4.39 0.64 -0.12 1.61 5.02 0.11 -4.77 118.16 116.27 1x3d n LYS 59 Ca -0.14 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1x3d n LYS 59 Cb 0.60 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1x3d n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x3d n GLY 60 N 1.75 0.89 0.53 0.72 0.00 -1.26 -5.03 105.19 102.79 1x3d n GLY 60 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1x3d n GLY 60 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x3d n ASN 61 N 0.05 1.78 0.00 1.61 3.02 -1.26 -5.07 115.26 115.39 1x3d n ASN 61 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1x3d n ASN 61 Cb 0.03 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 1x3d n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x3d n GLY 62 N 2.92 1.49 3.07 7.41 0.00 -1.26 -5.12 105.19 113.70 1x3d n GLY 62 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1x3d n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x3d s GLU 63 N -0.07 2.06 -0.10 1.61 0.41 -1.26 -5.09 118.70 116.25 1x3d s GLU 63 Ca 0.00 -1.50 -0.20 0.00 -0.41 0.00 0.00 54.97 52.87 1x3d s GLU 63 Cb 0.00 -3.04 -0.04 0.00 -1.78 0.00 0.00 34.13 29.27 1x3d s GLU 63 CO 0.00 -0.70 0.54 -0.06 -0.49 0.00 0.00 175.26 174.55 1x3d s PHE 64 N 1.07 3.54 0.06 1.61 0.08 -1.26 -4.01 117.98 119.08 1x3d s PHE 64 Ca -0.03 1.00 0.03 0.00 0.12 0.00 0.00 56.93 58.05 1x3d s PHE 64 Cb -0.20 -2.61 -0.03 0.00 -0.57 0.00 0.00 43.02 39.61 1x3d s PHE 64 CO -0.05 0.17 -0.09 0.00 -0.10 0.00 0.00 175.22 175.15 1x3d n GLN 66 N 1.11 2.15 -0.08 0.00 7.27 -1.26 -2.59 117.38 123.98 1x3d n GLN 66 Ca -0.20 0.79 -0.16 0.00 0.07 0.00 0.00 57.00 57.49 1x3d n GLN 66 Cb 0.56 -2.62 -0.06 0.00 2.41 0.00 0.00 30.24 30.52 1x3d n GLN 66 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x3d s TYR 68 N -2.29 0.80 -0.09 0.00 5.04 -1.24 -5.02 117.35 114.56 1x3d s TYR 68 Ca -0.22 -0.23 -0.02 0.00 -2.44 0.00 0.00 57.07 54.16 1x3d s TYR 68 Cb 0.08 -0.71 0.03 0.00 0.35 0.00 0.00 41.96 41.72 1x3d s TYR 68 CO 0.28 -0.21 0.02 1.41 -1.34 0.00 0.00 175.55 175.71 1x3d s MET 69 N 0.99 0.50 0.00 4.97 -2.45 -1.26 -0.46 119.30 121.59 1x3d s MET 69 Ca -0.10 0.07 0.00 0.00 -1.25 0.00 0.00 55.69 54.41 1x3d s MET 69 Cb -0.14 -1.09 0.00 0.00 1.25 0.00 0.00 34.83 34.85 1x3d s MET 69 CO -0.00 -0.36 0.00 0.41 1.05 0.00 0.00 175.02 176.11 1x3d n GLY 70 N 5.16 -1.59 0.08 2.11 0.00 -0.96 -4.95 105.19 105.04 1x3d n GLY 70 Ca -0.07 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 1x3d n GLY 70 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x3d h SER 71 N 0.00 -0.05 -0.94 1.61 0.87 -1.88 0.17 113.55 113.33 1x3d h SER 71 Ca 0.00 -0.60 -0.63 0.00 -1.23 0.00 0.00 61.79 59.33 1x3d h SER 71 Cb 0.00 0.01 0.10 0.00 -0.44 0.00 0.00 62.40 62.07 1x3d h SER 71 CO 0.00 0.62 -0.48 0.00 -0.53 0.00 0.00 176.83 176.44 1x3d n GLN 72 N -4.79 0.00 -1.16 2.24 6.02 -1.26 -4.70 117.38 113.73 1x3d n GLN 72 Ca -0.09 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.70 1x3d n GLN 72 Cb 0.32 -0.95 0.17 0.00 1.02 0.00 0.00 30.24 30.80 1x3d n GLN 72 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1x3d n LYS 73 N 0.95 2.22 -3.71 -1.09 5.02 -1.26 -4.84 118.16 115.45 1x3d n LYS 73 Ca 0.17 -3.11 -0.11 0.00 -2.02 0.00 0.00 58.31 53.24 1x3d n LYS 73 Cb 0.23 -2.11 -0.11 0.00 -0.02 0.00 0.00 35.03 33.02 1x3d n LYS 73 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1x3d s GLN 74 N -3.35 0.38 0.01 1.97 0.74 -1.26 -2.35 119.66 115.79 1x3d s GLN 74 Ca 0.55 0.70 0.01 0.00 0.05 0.00 0.00 55.36 56.66 1x3d s GLN 74 Cb 0.46 0.02 -0.01 0.00 1.10 0.00 0.00 33.01 34.58 1x3d s GLN 74 CO 0.07 -0.13 -0.03 0.12 -0.55 0.00 0.00 175.29 174.76 1x3d s PHE 75 N 1.11 0.28 -0.24 1.67 5.36 -1.04 -5.04 117.98 120.08 1x3d s PHE 75 Ca -0.07 -0.20 0.01 0.00 -0.96 0.00 0.00 56.93 55.70 1x3d s PHE 75 Cb -0.07 -0.18 0.06 0.00 -0.34 0.00 0.00 43.02 42.49 1x3d s PHE 75 CO -0.09 -0.05 -0.06 0.21 -1.46 0.00 0.00 175.22 173.77 1x3d s LYS 76 N -0.56 1.69 -0.58 10.12 2.20 -1.26 -1.79 119.74 129.56 1x3d s LYS 76 Ca -0.04 -1.04 -0.25 0.00 -0.36 0.00 0.00 55.97 54.28 1x3d s LYS 76 Cb -0.04 -2.63 0.04 0.00 -1.51 0.00 0.00 37.83 33.70 1x3d s LYS 76 CO -0.00 -0.60 0.99 0.42 -0.36 0.00 0.00 175.35 175.80 1x3d s ILE 77 N 1.36 4.30 0.66 5.43 1.01 -0.94 -4.89 121.20 128.12 1x3d s ILE 77 Ca -0.06 0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.85 1x3d s ILE 77 Cb -0.19 -4.60 0.09 0.00 0.01 0.00 0.00 42.46 37.77 1x3d s ILE 77 CO -0.06 -1.23 0.91 0.42 0.00 0.00 0.00 174.94 174.98 1x3d s THR 78 N 4.19 2.32 -1.05 2.92 -4.23 -1.26 -1.48 115.64 117.05 1x3d s THR 78 Ca 0.31 -0.62 -0.03 0.00 -1.18 0.00 0.00 61.69 60.17 1x3d s THR 78 Cb -0.12 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.03 1x3d s THR 78 CO 0.18 0.00 0.89 0.29 -0.54 0.00 0.00 174.62 175.44 1x3d n LYS 79 N -2.65 -5.92 -2.80 3.99 4.76 -0.02 -4.90 118.16 110.63 1x3d n LYS 79 Ca 0.12 0.70 -0.14 0.00 -2.87 0.00 0.00 58.31 56.12 1x3d n LYS 79 Cb 0.60 -5.31 -0.00 0.00 -1.84 0.00 0.00 35.03 28.48 1x3d n LYS 79 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1x3d n LEU 80 N -3.84 0.00 -4.17 -0.35 4.77 -0.67 -5.00 117.00 107.74 1x3d n LEU 80 Ca -0.15 -1.55 -0.15 0.00 -0.03 0.00 0.00 56.01 54.13 1x3d n LEU 80 Cb 0.61 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.58 1x3d n LEU 80 CO 0.52 -0.42 -0.42 -0.94 -1.33 0.00 0.00 177.39 174.80 1x3d s SER 81 N -2.72 1.47 1.01 -1.43 1.04 -1.22 -4.21 113.70 107.64 1x3d s SER 81 Ca 0.16 -0.79 -0.12 0.00 0.48 0.00 0.00 55.95 55.68 1x3d s SER 81 Cb -0.01 0.00 0.20 0.00 0.10 0.00 0.00 66.02 66.30 1x3d s SER 81 CO 0.10 -0.24 1.09 -2.16 0.98 0.00 0.00 173.24 173.01 1x3d s PRO 82 N -2.65 0.33 -1.07 4.02 0.04 -1.16 -3.62 135.00 130.88 1x3d s PRO 82 Ca 0.04 0.49 -0.13 0.00 0.04 0.00 0.00 61.00 61.44 1x3d s PRO 82 Cb -0.04 -1.73 0.13 0.00 0.04 0.00 0.00 34.50 32.91 1x3d s PRO 82 CO 0.00 -2.79 0.34 0.00 0.04 0.00 0.00 177.00 174.59 1x3d n ALA 83 N -4.21 -1.12 -3.66 8.56 0.00 -1.17 -4.85 120.51 114.06 1x3d n ALA 83 Ca 0.05 -0.11 -0.38 0.00 0.00 0.00 0.00 53.44 53.00 1x3d n ALA 83 Cb 0.57 -1.67 -0.09 0.00 0.00 0.00 0.00 19.45 18.27 1x3d n ALA 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1x3d s MET 84 N -6.26 2.66 -0.13 0.00 0.00 -1.24 -4.99 119.30 109.33 1x3d s MET 84 Ca 0.47 -2.42 -0.29 0.00 0.00 0.00 0.00 55.69 53.45 1x3d s MET 84 Cb -0.27 -3.83 -0.06 0.00 0.00 0.00 0.00 34.83 30.67 1x3d s MET 84 CO 0.58 -1.18 2.03 0.20 0.00 0.00 0.00 175.02 176.65 1x3d s GLY 85 N 1.09 0.95 -0.04 2.11 0.00 -1.26 -4.18 107.32 105.99 1x3d s GLY 85 Ca 0.16 0.91 0.04 0.00 0.00 0.00 0.00 44.72 45.83 1x3d s GLY 85 CO -0.04 3.56 -0.15 0.00 0.00 0.00 0.00 173.10 176.47 1x3d s LYS 87 N 0.05 3.05 0.28 0.00 1.02 -1.26 -1.63 119.74 121.25 1x3d s LYS 87 Ca -0.03 -0.79 -0.11 0.00 0.02 0.00 0.00 55.97 55.06 1x3d s LYS 87 Cb -0.10 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 1x3d s LYS 87 CO 0.01 -0.13 0.51 -0.06 -0.92 0.00 0.00 175.35 174.76 1x3d s PHE 88 N -2.37 0.48 -0.26 3.18 0.40 -0.61 -3.22 117.98 115.58 1x3d s PHE 88 Ca 0.47 -0.85 -0.26 0.00 -0.60 0.00 0.00 56.93 55.70 1x3d s PHE 88 Cb -0.10 0.20 0.12 0.00 0.51 0.00 0.00 43.02 43.75 1x3d s PHE 88 CO 0.34 -1.08 1.03 -0.98 0.70 0.00 0.00 175.22 175.24 1x3d s ARG 89 N -3.65 0.51 -0.03 0.44 1.70 -0.79 -2.53 118.95 114.60 1x3d s ARG 89 Ca 0.23 0.51 0.02 0.00 -0.47 0.00 0.00 55.73 56.02 1x3d s ARG 89 Cb -0.01 0.25 -0.03 0.00 -0.57 0.00 0.00 34.95 34.58 1x3d s ARG 89 CO 0.12 -0.08 -0.05 -1.17 -1.08 0.00 0.00 175.30 173.04 1x3d s LEU 90 N -0.01 3.26 -0.10 -1.89 2.96 -1.26 -2.38 118.68 119.27 1x3d s LEU 90 Ca 0.02 -0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.79 1x3d s LEU 90 Cb -0.04 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.87 1x3d s LEU 90 CO -0.05 0.32 0.26 -0.94 -1.32 0.00 0.00 176.35 174.61 1x3d s SER 91 N -1.19 -0.27 -0.18 3.68 1.04 -1.07 -0.07 113.70 115.64 1x3d s SER 91 Ca 0.16 0.52 -0.07 0.00 0.48 0.00 0.00 55.95 57.03 1x3d s SER 91 Cb -0.11 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1x3d s SER 91 CO 0.05 -0.09 0.05 0.00 0.98 0.00 0.00 173.24 174.24 1x3d s ALA 92 N 0.14 3.37 -0.07 5.32 0.00 -1.26 -1.66 121.76 127.59 1x3d s ALA 92 Ca -0.00 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.25 1x3d s ALA 92 Cb -0.02 -1.90 -0.00 0.00 0.00 0.00 0.00 23.12 21.20 1x3d s ALA 92 CO 0.00 0.16 -0.24 0.50 0.00 0.00 0.00 175.76 176.19 1x3d s ARG 93 N 0.41 2.68 0.47 0.00 3.52 -1.20 -0.46 118.95 124.38 1x3d s ARG 93 Ca 0.03 -0.86 0.03 0.00 -0.13 0.00 0.00 55.73 54.80 1x3d s ARG 93 Cb -0.13 -2.15 -0.04 0.00 -1.56 0.00 0.00 34.95 31.07 1x3d s ARG 93 CO 0.01 0.27 0.01 0.54 -0.81 0.00 0.00 175.30 175.32 1x3d s ASN 94 N 0.09 4.01 0.36 -2.12 4.22 -0.47 -0.79 114.94 120.24 1x3d s ASN 94 Ca -0.11 -1.55 0.27 0.00 -2.14 0.00 0.00 52.86 49.33 1x3d s ASN 94 Cb -0.15 0.20 1.21 0.00 1.28 0.00 0.00 41.25 43.78 1x3d s ASN 94 CO 0.06 -0.71 1.24 -0.67 -2.04 0.00 0.00 177.10 174.97 1x3d n ASP 95 N -1.16 0.15 0.00 3.54 -0.08 -1.26 -0.95 116.55 116.79 1x3d n ASP 95 Ca -0.14 1.06 0.00 0.00 -1.51 0.00 0.00 54.79 54.20 1x3d n ASP 95 Cb 0.67 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.61 1x3d n ASP 95 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1x3d n TYR 96 N -4.19 0.00 -3.74 -0.67 4.02 -1.26 -5.06 117.16 106.26 1x3d n TYR 96 Ca 0.32 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 58.21 1x3d n TYR 96 Cb 1.29 -0.45 0.01 0.00 -0.02 0.00 0.00 39.34 40.16 1x3d n TYR 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x3d n GLY 97 N 0.65 0.79 3.66 2.72 0.00 -0.12 -5.07 105.19 107.81 1x3d n GLY 97 Ca 0.00 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 1x3d n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x3d s THR 98 N -2.25 4.92 0.52 2.61 2.01 -1.26 -1.37 115.64 120.80 1x3d s THR 98 Ca 0.10 1.50 -0.18 0.00 0.31 0.00 0.00 61.69 63.42 1x3d s THR 98 Cb -0.01 -4.08 -0.07 0.00 0.01 0.00 0.00 72.50 68.35 1x3d s THR 98 CO 0.01 0.04 1.01 -0.94 -0.69 0.00 0.00 174.62 174.05 1x3d s SER 99 N 1.18 6.40 0.20 3.53 1.04 0.40 -4.95 113.70 121.50 1x3d s SER 99 Ca 0.35 1.72 -0.23 0.00 0.48 0.00 0.00 55.95 58.27 1x3d s SER 99 Cb -0.16 -2.53 -0.15 0.00 0.10 0.00 0.00 66.02 63.28 1x3d s SER 99 CO 0.11 -0.74 0.39 0.61 0.98 0.00 0.00 173.24 174.60 1x3d n GLY 100 N -1.01 -1.66 3.77 7.32 0.00 -1.26 -4.31 105.19 108.03 1x3d n GLY 100 Ca 0.08 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 1x3d n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x3d s PHE 101 N -0.97 2.62 1.04 1.61 0.40 -1.26 -4.51 117.98 116.91 1x3d s PHE 101 Ca 0.55 1.14 -0.17 0.00 -0.60 0.00 0.00 56.93 57.86 1x3d s PHE 101 Cb -0.77 -3.17 0.23 0.00 0.51 0.00 0.00 43.02 39.82 1x3d s PHE 101 CO 0.50 -2.06 1.25 -1.54 0.70 0.00 0.00 175.22 174.07 1x3d s SER 102 N -3.76 2.36 0.19 1.36 1.04 0.90 -4.89 113.70 110.90 1x3d s SER 102 Ca 0.62 0.40 -0.31 0.00 0.48 0.00 0.00 55.95 57.14 1x3d s SER 102 Cb -0.16 -0.52 -0.09 0.00 0.10 0.00 0.00 66.02 65.35 1x3d s SER 102 CO 0.55 -3.21 1.44 -1.61 0.98 0.00 0.00 173.24 171.39 1x3d s GLU 103 N -5.72 4.29 -0.16 4.02 2.02 -1.26 -4.73 118.70 117.16 1x3d s GLU 103 Ca 0.73 2.23 -0.31 0.00 0.02 0.00 0.00 54.97 57.63 1x3d s GLU 103 Cb -0.06 -3.17 -0.09 0.00 0.10 0.00 0.00 34.13 30.92 1x3d s GLU 103 CO 0.54 -0.44 2.09 0.39 0.02 0.00 0.00 175.26 177.85 1x3d n GLU 104 N 3.16 2.06 -4.20 1.61 4.71 -1.26 -4.79 120.64 121.93 1x3d n GLU 104 Ca 0.09 0.67 -0.34 0.00 -0.01 0.00 0.00 57.16 57.57 1x3d n GLU 104 Cb 0.41 -2.92 -0.11 0.00 -1.01 0.00 0.00 31.44 27.80 1x3d n GLU 104 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1x3d s VAL 105 N 6.34 4.27 -0.26 2.62 -7.23 -1.05 -4.96 120.40 120.12 1x3d s VAL 105 Ca 0.98 -0.22 -0.10 0.00 -1.81 0.00 0.00 61.98 60.83 1x3d s VAL 105 Cb -0.53 -2.90 -0.04 0.00 0.56 0.00 0.00 36.38 33.47 1x3d s VAL 105 CO 0.43 0.47 0.15 -0.22 -0.31 0.00 0.00 175.10 175.62 1x3d s LEU 106 N 0.46 3.89 0.42 1.32 2.96 -1.26 -1.58 118.68 124.89 1x3d s LEU 106 Ca -0.01 -0.03 0.07 0.00 -0.22 0.00 0.00 54.13 53.94 1x3d s LEU 106 Cb -0.14 -2.07 -0.07 0.00 0.50 0.00 0.00 46.19 44.42 1x3d s LEU 106 CO 0.02 -0.02 0.05 -0.31 -1.32 0.00 0.00 176.35 174.77 1x3d s TYR 107 N 1.55 2.50 -0.12 5.38 2.02 -0.65 -4.99 117.35 123.05 1x3d s TYR 107 Ca 0.07 -0.67 -0.04 0.00 -0.37 0.00 0.00 57.07 56.06 1x3d s TYR 107 Cb -0.15 -1.82 0.06 0.00 -0.40 0.00 0.00 41.96 39.65 1x3d s TYR 107 CO 0.08 0.37 0.23 0.71 -1.57 0.00 0.00 175.55 175.37 1x3d s TYR 108 N -2.69 -0.34 1.00 2.71 1.51 -1.26 -1.93 117.35 116.34 1x3d s TYR 108 Ca 0.35 0.83 -0.17 0.00 -1.01 0.00 0.00 57.07 57.07 1x3d s TYR 108 Cb 0.08 -0.12 -0.14 0.00 -0.11 0.00 0.00 41.96 41.67 1x3d s TYR 108 CO 0.18 -0.34 -0.77 0.25 -1.11 0.00 0.00 175.55 173.77 1x3d n THR 109 N 5.34 0.00 -0.27 -0.71 -2.24 -1.26 -4.63 114.28 110.52 1x3d n THR 109 Ca -0.06 -0.45 0.02 0.00 -2.27 0.00 0.00 64.05 61.29 1x3d n THR 109 Cb 0.50 -0.04 0.07 0.00 -2.10 0.00 0.00 70.33 68.76 1x3d n THR 109 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1x3d n SER 110 N 3.17 -0.34 -4.61 3.42 2.88 -1.26 -4.01 113.62 112.86 1x3d n SER 110 Ca -0.01 1.26 -0.52 0.00 -1.33 0.00 0.00 58.87 58.27 1x3d n SER 110 Cb 0.57 -0.34 -0.06 0.00 -0.75 0.00 0.00 64.21 63.62 1x3d n SER 110 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3d n GLY 111 N -1.41 0.95 3.17 0.46 0.00 -1.26 -1.22 105.19 105.87 1x3d n GLY 111 Ca 0.10 0.91 -0.16 0.00 0.00 0.00 0.00 46.02 46.87 1x3d n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3d s SER 113 N -4.07 6.68 -0.28 0.00 1.04 -0.36 -4.66 113.70 112.05 1x3d s SER 113 Ca 0.07 0.80 -0.07 0.00 0.48 0.00 0.00 55.95 57.24 1x3d s SER 113 Cb -0.03 -2.23 0.01 0.00 0.10 0.00 0.00 66.02 63.87 1x3d s SER 113 CO 0.64 0.23 0.26 0.61 0.98 0.00 0.00 173.24 175.97 1x3d n GLY 114 N 2.40 -2.23 3.63 7.32 0.00 -1.26 -4.90 105.19 110.15 1x3d n GLY 114 Ca -0.13 0.65 -0.43 0.00 0.00 0.00 0.00 46.02 46.11 1x3d n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x3d s PRO 115 N -1.78 3.81 0.24 1.61 0.04 -1.26 -5.01 135.00 132.65 1x3d s PRO 115 Ca 0.11 1.66 0.06 0.00 0.04 0.00 0.00 61.00 62.87 1x3d s PRO 115 Cb -0.03 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.45 1x3d s PRO 115 CO 0.56 -1.27 0.30 -1.54 0.04 0.00 0.00 177.00 175.09 1x3d s SER 116 N 4.15 6.05 -0.13 6.66 1.04 -1.26 -5.05 113.70 125.15 1x3d s SER 116 Ca 0.71 -0.03 -0.27 0.00 0.48 0.00 0.00 55.95 56.84 1x3d s SER 116 Cb -0.25 -1.71 -0.24 0.00 0.10 0.00 0.00 66.02 63.92 1x3d s SER 116 CO 0.29 -0.05 0.73 0.77 0.98 0.00 0.00 173.24 175.96 1x3d h SER 117 N 1.33 -0.00 -0.02 7.02 4.64 -2.06 -3.55 113.55 120.90 1x3d h SER 117 Ca -0.51 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 59.90 1x3d h SER 117 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1x3d h SER 117 CO 0.61 0.95 0.00 0.61 -0.87 0.00 0.00 176.83 178.13