#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 -0.88 0.32 1.61 0.15 -1.26 -5.18 113.70 108.46 1x3d s SER 2 Ca 0.00 1.37 -0.19 0.00 0.70 0.00 0.00 55.95 57.84 1x3d s SER 2 Cb 0.00 1.47 0.03 0.00 -1.71 0.00 0.00 66.02 65.81 1x3d s SER 2 CO 0.00 -0.21 0.74 -0.44 1.20 0.00 0.00 173.24 174.52 1x3d s SER 3 N 1.76 -0.14 -0.34 5.45 0.01 -1.26 -5.11 113.70 114.06 1x3d s SER 3 Ca -0.09 -0.82 0.03 0.00 1.31 0.00 0.00 55.95 56.38 1x3d s SER 3 Cb -0.06 0.77 0.31 0.00 0.21 0.00 0.00 66.02 67.26 1x3d s SER 3 CO -0.19 -1.47 1.33 0.61 0.41 0.00 0.00 173.24 173.93 1x3d n GLY 4 N -0.48 -1.30 3.63 3.44 0.00 -1.26 -5.16 105.19 104.05 1x3d n GLY 4 Ca -0.05 0.79 -0.31 0.00 0.00 0.00 0.00 46.02 46.44 1x3d n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x3d n SER 5 N 0.72 -0.06 -3.55 1.61 3.41 -1.26 -5.05 113.62 109.45 1x3d n SER 5 Ca -0.03 0.41 -0.12 0.00 -0.26 0.00 0.00 58.87 58.88 1x3d n SER 5 Cb 0.74 -1.43 -0.04 0.00 -0.26 0.00 0.00 64.21 63.22 1x3d n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x3d s SER 6 N -2.50 -0.38 -0.30 4.04 1.04 -1.26 -5.16 113.70 109.18 1x3d s SER 6 Ca 0.66 -0.13 -0.12 0.00 0.48 0.00 0.00 55.95 56.84 1x3d s SER 6 Cb -0.23 0.52 0.18 0.00 0.10 0.00 0.00 66.02 66.59 1x3d s SER 6 CO 0.59 -0.87 0.99 -0.83 0.98 0.00 0.00 173.24 174.10 1x3d s GLY 7 N -2.65 -0.36 0.53 7.32 0.00 -1.26 -5.18 107.32 105.72 1x3d s GLY 7 Ca 0.01 2.76 0.04 0.00 0.00 0.00 0.00 44.72 47.54 1x3d s GLY 7 CO -0.11 3.59 0.29 0.00 0.00 0.00 0.00 173.10 176.87 1x3d s ALA 8 N 2.78 4.32 -0.21 3.20 0.00 -1.26 -5.12 121.76 125.47 1x3d s ALA 8 Ca 0.01 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.85 1x3d s ALA 8 Cb -0.09 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 1x3d s ALA 8 CO -0.14 -0.32 0.06 -1.21 0.00 0.00 0.00 175.76 174.14 1x3d s GLU 9 N -4.16 3.80 0.50 0.00 2.02 -1.26 -5.07 118.70 114.53 1x3d s GLU 9 Ca 0.27 -0.42 -0.16 0.00 0.02 0.00 0.00 54.97 54.68 1x3d s GLU 9 Cb -0.01 -3.24 -0.13 0.00 0.10 0.00 0.00 34.13 30.85 1x3d s GLU 9 CO 0.16 0.05 -0.18 0.44 0.02 0.00 0.00 175.26 175.76 1x3d n ILE 10 N 4.19 0.00 -0.09 -1.63 -0.00 -1.26 -4.93 119.36 115.64 1x3d n ILE 10 Ca -0.16 -0.45 -0.22 0.00 -0.00 0.00 0.00 62.75 61.92 1x3d n ILE 10 Cb 0.52 0.00 -0.12 0.00 -0.00 0.00 0.00 39.64 40.04 1x3d n ILE 10 CO 0.00 0.00 0.00 0.33 -0.00 0.00 0.00 176.55 176.88 1x3d n PHE 11 N -1.45 0.51 -0.25 4.28 -0.00 -1.26 -4.39 117.46 114.92 1x3d n PHE 11 Ca 0.06 0.15 0.15 0.00 -0.00 0.00 0.00 57.45 57.81 1x3d n PHE 11 Cb 0.43 -1.06 0.29 0.00 -0.00 0.00 0.00 39.48 39.14 1x3d n PHE 11 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 1x3d n THR 12 N -3.76 -0.31 -3.97 -2.13 5.66 -1.26 -4.25 114.28 104.27 1x3d n THR 12 Ca -0.42 1.56 -0.13 0.00 -3.05 0.00 0.00 64.05 62.01 1x3d n THR 12 Cb 0.93 -2.37 -0.14 0.00 -1.55 0.00 0.00 70.33 67.19 1x3d n THR 12 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1x3d s THR 13 N -5.45 0.14 -0.09 1.09 -4.23 -1.26 -5.15 115.64 100.68 1x3d s THR 13 Ca -0.08 -0.10 0.04 0.00 -1.18 0.00 0.00 61.69 60.36 1x3d s THR 13 Cb 0.23 -0.13 0.00 0.00 1.34 0.00 0.00 72.50 73.94 1x3d s THR 13 CO 0.57 0.02 -0.23 -1.48 -0.54 0.00 0.00 174.62 172.97 1x3d s LEU 14 N -0.09 2.04 -0.27 4.79 2.34 -1.26 -4.67 118.68 121.55 1x3d s LEU 14 Ca 0.00 -0.53 -0.09 0.00 0.06 0.00 0.00 54.13 53.58 1x3d s LEU 14 Cb -0.01 -1.34 0.12 0.00 -0.56 0.00 0.00 46.19 44.41 1x3d s LEU 14 CO -0.00 0.15 0.58 -0.94 -1.06 0.00 0.00 176.35 175.08 1x3d s SER 15 N 0.37 -0.91 -0.00 1.48 1.04 -1.26 -5.07 113.70 109.34 1x3d s SER 15 Ca -0.18 1.36 -0.05 0.00 0.48 0.00 0.00 55.95 57.56 1x3d s SER 15 Cb -0.18 2.04 -0.00 0.00 0.10 0.00 0.00 66.02 67.98 1x3d s SER 15 CO 0.08 -0.23 0.10 0.00 0.98 0.00 0.00 173.24 174.18 1x3d n GLU 17 N 1.72 0.41 -0.81 0.00 -0.00 -1.26 -4.50 120.64 116.21 1x3d n GLU 17 Ca -0.21 0.18 -0.23 0.00 -0.00 0.00 0.00 57.16 56.89 1x3d n GLU 17 Cb 0.56 -1.80 0.20 0.00 -0.00 0.00 0.00 31.44 30.40 1x3d n GLU 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1x3d n PRO 18 N -0.49 -2.69 -2.87 3.44 -0.04 -1.26 -4.78 135.00 126.31 1x3d n PRO 18 Ca 0.11 -1.37 -0.33 0.00 -0.04 0.00 0.00 63.50 61.87 1x3d n PRO 18 Cb 0.49 -1.28 -0.06 0.00 -0.04 0.00 0.00 33.50 32.60 1x3d n PRO 18 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1x3d s ASP 19 N -3.81 6.86 -0.21 3.54 2.15 -1.26 -4.58 116.67 119.36 1x3d s ASP 19 Ca 0.56 1.55 -0.29 0.00 0.43 0.00 0.00 52.55 54.80 1x3d s ASP 19 Cb -0.05 -2.49 -0.02 0.00 -0.30 0.00 0.00 42.92 40.06 1x3d s ASP 19 CO 0.43 -0.34 1.51 -0.63 -0.17 0.00 0.00 175.17 175.97 1x3d s ILE 20 N -2.17 3.84 0.75 4.11 1.01 -1.26 -4.74 121.20 122.74 1x3d s ILE 20 Ca 0.59 0.97 -0.12 0.00 0.00 0.00 0.00 60.65 62.10 1x3d s ILE 20 Cb -0.09 -3.81 0.04 0.00 0.01 0.00 0.00 42.46 38.61 1x3d s ILE 20 CO 0.16 -0.29 1.10 -2.16 0.00 0.00 0.00 174.94 173.75 1x3d s PRO 21 N 4.36 2.37 0.77 2.79 0.04 -1.26 -4.94 135.00 139.12 1x3d s PRO 21 Ca 0.66 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.81 1x3d s PRO 21 Cb -0.24 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.45 1x3d s PRO 21 CO 0.26 -1.56 1.11 0.54 0.04 0.00 0.00 177.00 177.39 1x3d s ASN 22 N -3.20 4.38 0.37 6.66 2.20 -1.26 -4.35 114.94 119.74 1x3d s ASN 22 Ca 0.63 1.95 -0.27 0.00 -0.94 0.00 0.00 52.86 54.23 1x3d s ASN 22 Cb -0.18 -2.54 -0.09 0.00 -2.00 0.00 0.00 41.25 36.44 1x3d s ASN 22 CO 0.53 -2.12 1.20 -2.16 -2.94 0.00 0.00 177.10 171.61 1x3d s PRO 23 N -4.63 4.18 0.49 3.55 0.04 -1.26 -4.87 135.00 132.51 1x3d s PRO 23 Ca 0.64 1.94 -0.21 0.00 0.04 0.00 0.00 61.00 63.41 1x3d s PRO 23 Cb -0.19 -2.83 -0.07 0.00 0.04 0.00 0.00 34.50 31.45 1x3d s PRO 23 CO 0.52 -0.24 1.15 -1.25 0.04 0.00 0.00 177.00 177.22 1x3d s PRO 24 N -2.08 3.59 0.45 0.56 0.04 -1.26 -4.98 135.00 131.32 1x3d s PRO 24 Ca 0.54 1.71 0.07 0.00 0.04 0.00 0.00 61.00 63.36 1x3d s PRO 24 Cb -0.33 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.96 1x3d s PRO 24 CO 0.43 -0.67 0.38 -0.98 0.04 0.00 0.00 177.00 176.19 1x3d s ARG 25 N -2.94 2.44 -0.25 4.56 1.70 -0.53 -4.88 118.95 119.04 1x3d s ARG 25 Ca 0.67 -1.67 -0.14 0.00 -0.47 0.00 0.00 55.73 54.13 1x3d s ARG 25 Cb -0.27 -2.29 -0.04 0.00 -0.57 0.00 0.00 34.95 31.78 1x3d s ARG 25 CO 0.31 -0.30 0.31 0.42 -1.08 0.00 0.00 175.30 174.96 1x3d s ILE 26 N -2.55 5.24 -0.19 4.99 -1.09 -1.26 -1.57 121.20 124.77 1x3d s ILE 26 Ca 0.45 0.46 0.12 0.00 -2.23 0.00 0.00 60.65 59.45 1x3d s ILE 26 Cb -0.02 -3.64 -0.17 0.00 -1.58 0.00 0.00 42.46 37.05 1x3d s ILE 26 CO 0.27 0.23 0.34 0.00 -1.23 0.00 0.00 174.94 174.55 1x3d n ALA 27 N 4.86 2.80 -3.22 9.38 0.00 -1.06 -4.98 120.51 128.29 1x3d n ALA 27 Ca -0.11 -0.30 0.04 0.00 0.00 0.00 0.00 53.44 53.07 1x3d n ALA 27 Cb 0.51 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 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 -2.96 -0.26 -0.01 0.00 2.47 -1.25 -5.02 114.94 107.91 1x3d s ASN 28 Ca -0.02 0.29 0.01 0.00 0.42 0.00 0.00 52.86 53.56 1x3d s ASN 28 Cb 0.08 1.27 0.01 0.00 -1.45 0.00 0.00 41.25 41.16 1x3d s ASN 28 CO 0.49 -0.05 -0.03 0.00 -3.72 0.00 0.00 177.10 173.80 1x3d s ARG 29 N 2.43 0.31 0.34 0.43 1.70 -1.26 0.18 118.95 123.08 1x3d s ARG 29 Ca -0.02 -0.07 0.00 0.00 -0.47 0.00 0.00 55.73 55.17 1x3d s ARG 29 Cb -0.05 -0.35 -0.00 0.00 -0.57 0.00 0.00 34.95 33.98 1x3d s ARG 29 CO -0.14 0.02 0.01 0.25 -1.08 0.00 0.00 175.30 174.35 1x3d n THR 30 N 3.33 0.00 0.25 4.99 -2.24 0.02 -4.38 114.28 116.25 1x3d n THR 30 Ca -0.17 -1.65 0.10 0.00 -2.27 0.00 0.00 64.05 60.06 1x3d n THR 30 Cb 0.56 0.36 0.65 0.00 -2.10 0.00 0.00 70.33 69.81 1x3d n THR 30 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1x3d h LYS 31 N 0.00 0.00 -0.56 -0.78 1.79 -1.92 -3.07 116.57 112.03 1x3d h LYS 31 Ca -0.28 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 57.85 1x3d h LYS 31 Cb 0.87 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.12 1x3d h LYS 31 CO 0.47 0.13 -1.04 0.09 -1.08 0.00 0.00 179.45 178.02 1x3d n ASN 32 N -3.97 2.53 -3.51 0.86 4.13 -1.26 -0.40 115.26 113.65 1x3d n ASN 32 Ca -0.02 -2.55 -0.09 0.00 1.68 0.00 0.00 54.58 53.60 1x3d n ASN 32 Cb 0.22 -0.44 -0.02 0.00 -1.54 0.00 0.00 39.78 37.99 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 -3.72 -0.37 -0.22 6.41 0.01 -1.16 -2.39 113.70 112.25 1x3d s SER 33 Ca 0.34 0.04 -0.08 0.00 1.31 0.00 0.00 55.95 57.56 1x3d s SER 33 Cb 0.35 0.38 0.09 0.00 0.21 0.00 0.00 66.02 67.06 1x3d s SER 33 CO -0.02 -0.60 0.48 -0.76 0.41 0.00 0.00 173.24 172.75 1x3d s LEU 34 N -2.36 -0.69 -0.19 2.44 1.43 0.13 -0.80 118.68 118.64 1x3d s LEU 34 Ca 0.04 1.13 -0.05 0.00 -1.03 0.00 0.00 54.13 54.22 1x3d s LEU 34 Cb -0.01 1.60 -0.03 0.00 0.03 0.00 0.00 46.19 47.79 1x3d s LEU 34 CO -0.08 -0.22 0.01 -0.89 0.23 0.00 0.00 176.35 175.40 1x3d s THR 35 N 2.44 4.15 -0.09 5.49 2.01 0.48 0.43 115.64 130.55 1x3d s THR 35 Ca -0.04 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 61.74 1x3d s THR 35 Cb -0.11 -2.87 0.01 0.00 0.01 0.00 0.00 72.50 69.54 1x3d s THR 35 CO -0.14 0.44 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.28 1x3d s LEU 36 N 0.79 1.86 0.23 4.42 1.43 -0.92 -2.55 118.68 123.95 1x3d s LEU 36 Ca 0.01 -0.44 0.11 0.00 -1.03 0.00 0.00 54.13 52.77 1x3d s LEU 36 Cb -0.14 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.89 1x3d s LEU 36 CO 0.02 0.09 -0.16 -1.10 0.23 0.00 0.00 176.35 175.43 1x3d s GLN 37 N 0.59 1.82 0.29 1.70 -0.21 -0.61 -2.74 119.66 120.50 1x3d s GLN 37 Ca -0.15 -1.54 -0.18 0.00 0.02 0.00 0.00 55.36 53.51 1x3d s GLN 37 Cb -0.17 -1.94 0.07 0.00 1.00 0.00 0.00 33.01 31.97 1x3d s GLN 37 CO 0.05 0.38 0.89 -2.67 -2.12 0.00 0.00 175.29 171.81 1x3d n TRP 38 N -0.30 -1.86 -4.51 0.91 2.14 -0.98 -1.46 117.44 111.38 1x3d n TRP 38 Ca -0.08 -1.54 -0.24 0.00 2.07 0.00 0.00 57.50 57.70 1x3d n TRP 38 Cb 0.58 0.76 -0.10 0.00 -0.81 0.00 0.00 31.31 31.74 1x3d n TRP 38 CO 0.00 0.00 0.00 -1.59 2.07 0.00 0.00 177.69 178.17 1x3d s LYS 39 N -2.07 1.80 -0.05 -2.67 0.00 -1.26 -4.83 119.74 110.66 1x3d s LYS 39 Ca 0.19 -2.04 -0.19 0.00 0.00 0.00 0.00 55.97 53.93 1x3d s LYS 39 Cb -0.04 -0.93 -0.05 0.00 0.00 0.00 0.00 37.83 36.81 1x3d s LYS 39 CO 0.09 -0.26 0.53 0.00 0.00 0.00 0.00 175.35 175.70 1x3d s ALA 40 N -3.19 3.51 1.17 0.59 0.00 -1.26 -4.87 121.76 117.71 1x3d s ALA 40 Ca 0.30 -0.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.04 1x3d s ALA 40 Cb 0.07 -2.66 0.21 0.00 0.00 0.00 0.00 23.12 20.73 1x3d s ALA 40 CO 0.14 0.14 0.76 -0.35 0.00 0.00 0.00 175.76 176.45 1x3d n PRO 41 N 2.99 -2.50 -2.95 0.00 -0.04 -1.26 -4.97 135.00 126.27 1x3d n PRO 41 Ca -0.08 -1.21 -0.42 0.00 -0.04 0.00 0.00 63.50 61.75 1x3d n PRO 41 Cb 0.51 -1.13 -0.05 0.00 -0.04 0.00 0.00 33.50 32.79 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 -3.55 6.59 -0.89 3.54 0.01 -1.26 -4.98 113.70 113.15 1x3d s SER 42 Ca 0.49 0.45 -0.24 0.00 1.31 0.00 0.00 55.95 57.95 1x3d s SER 42 Cb -0.05 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 1x3d s SER 42 CO 0.38 -0.70 1.78 1.51 0.41 0.00 0.00 173.24 176.62 1x3d s ASP 43 N 1.78 5.54 -0.13 2.44 1.47 -1.26 -4.30 116.67 122.22 1x3d s ASP 43 Ca 0.32 -0.75 -0.08 0.00 1.18 0.00 0.00 52.55 53.21 1x3d s ASP 43 Cb -0.13 -2.56 -0.06 0.00 -0.34 0.00 0.00 42.92 39.83 1x3d s ASP 43 CO 0.16 -2.36 0.08 -0.55 0.68 0.00 0.00 175.17 173.18 1x3d h ASN 44 N 11.25 0.00 0.35 2.11 7.08 -1.95 -3.42 115.58 131.00 1x3d h ASN 44 Ca 0.07 -0.19 -0.02 0.00 -3.08 0.00 0.00 56.30 53.09 1x3d h ASN 44 Cb 1.02 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.27 1x3d h ASN 44 CO 1.27 0.72 -0.17 1.23 -2.08 0.00 0.00 177.43 178.40 1x3d h GLY 45 N -1.00 -0.49 -2.87 9.14 0.00 -1.86 -3.48 103.07 102.50 1x3d h GLY 45 Ca -0.03 0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.44 1x3d h GLY 45 CO -0.02 -0.18 -0.02 -0.45 0.00 0.00 0.00 176.54 175.87 1x3d s SER 46 N -3.58 -0.26 0.16 0.19 0.15 -1.26 -4.96 113.70 104.14 1x3d s SER 46 Ca -0.07 -0.38 -0.34 0.00 0.70 0.00 0.00 55.95 55.86 1x3d s SER 46 Cb 0.01 0.52 -0.15 0.00 -1.71 0.00 0.00 66.02 64.69 1x3d s SER 46 CO 0.20 -0.94 1.32 1.17 1.20 0.00 0.00 173.24 176.20 1x3d n LYS 47 N -0.28 1.50 -2.40 5.44 3.00 -1.26 -4.82 118.16 119.33 1x3d n LYS 47 Ca -0.13 0.54 -0.41 0.00 -0.00 0.00 0.00 58.31 58.30 1x3d n LYS 47 Cb 0.63 -2.15 -0.03 0.00 0.00 0.00 0.00 35.03 33.48 1x3d n LYS 47 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1x3d s ILE 48 N 0.17 3.77 -0.05 3.15 1.01 -1.26 -4.22 121.20 123.78 1x3d s ILE 48 Ca 0.76 1.40 -0.11 0.00 0.00 0.00 0.00 60.65 62.70 1x3d s ILE 48 Cb -0.81 -3.90 -0.06 0.00 0.01 0.00 0.00 42.46 37.71 1x3d s ILE 48 CO 0.48 0.18 0.46 1.56 0.00 0.00 0.00 174.94 177.62 1x3d h GLN 49 N 5.84 -0.37 -3.31 2.79 4.20 -1.27 -3.48 115.11 119.51 1x3d h GLN 49 Ca -0.43 0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.27 1x3d h GLN 49 Cb 1.21 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 29.03 1x3d h GLN 49 CO 0.77 -0.25 0.10 0.54 -0.67 0.00 0.00 178.83 179.32 1x3d s ASN 50 N -4.96 0.00 0.10 1.46 6.03 -1.21 -4.78 114.94 111.58 1x3d s ASN 50 Ca -0.06 -0.95 -0.00 0.00 -1.03 0.00 0.00 52.86 50.82 1x3d s ASN 50 Cb 0.01 0.72 -0.04 0.00 -3.03 0.00 0.00 41.25 38.90 1x3d s ASN 50 CO 0.17 -1.38 0.27 -0.36 -2.03 0.00 0.00 177.10 173.76 1x3d s PHE 51 N -3.39 3.50 -0.25 1.54 0.08 -0.39 -2.86 117.98 116.21 1x3d s PHE 51 Ca 0.18 0.28 0.01 0.00 0.12 0.00 0.00 56.93 57.51 1x3d s PHE 51 Cb -0.04 -1.79 0.06 0.00 -0.57 0.00 0.00 43.02 40.69 1x3d s PHE 51 CO 0.10 0.53 -0.04 0.08 -0.10 0.00 0.00 175.22 175.79 1x3d s VAL 52 N -1.61 1.58 0.02 -0.44 1.01 -0.61 -2.53 120.40 117.81 1x3d s VAL 52 Ca 0.36 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 1x3d s VAL 52 Cb -0.12 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1x3d s VAL 52 CO 0.28 -0.15 0.17 -0.22 0.00 0.00 0.00 175.10 175.17 1x3d s LEU 53 N 1.36 4.24 0.04 3.92 2.96 0.70 -3.03 118.68 128.88 1x3d s LEU 53 Ca -0.04 0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 54.06 1x3d s LEU 53 Cb -0.19 -2.65 -0.01 0.00 0.50 0.00 0.00 46.19 43.84 1x3d s LEU 53 CO -0.07 0.23 0.13 -1.61 -1.32 0.00 0.00 176.35 173.70 1x3d s GLU 54 N -2.12 0.63 0.16 1.98 2.02 -1.09 -0.67 118.70 119.61 1x3d s GLU 54 Ca 0.29 -0.74 -0.19 0.00 0.02 0.00 0.00 54.97 54.35 1x3d s GLU 54 Cb -0.13 0.25 0.04 0.00 0.10 0.00 0.00 34.13 34.40 1x3d s GLU 54 CO 0.21 -0.17 0.50 1.67 0.02 0.00 0.00 175.26 177.49 1x3d s TRP 55 N -2.71 -0.28 -0.40 1.61 1.48 -1.17 -1.87 118.94 115.60 1x3d s TRP 55 Ca -0.04 -0.01 0.01 0.00 -1.06 0.00 0.00 56.10 54.99 1x3d s TRP 55 Cb -0.00 0.39 0.39 0.00 -1.16 0.00 0.00 33.47 33.09 1x3d s TRP 55 CO -0.05 -0.81 1.84 -0.40 -4.06 0.00 0.00 176.95 173.47 1x3d n ASP 56 N -0.31 5.33 -3.61 -2.66 5.68 -1.15 -3.00 116.55 116.84 1x3d n ASP 56 Ca -0.15 -3.26 -0.28 0.00 -0.50 0.00 0.00 54.79 50.60 1x3d n ASP 56 Cb 0.64 -0.89 -0.05 0.00 -1.14 0.00 0.00 41.12 39.68 1x3d n ASP 56 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1x3d n GLU 57 N -0.42 -1.05 -4.22 0.11 1.02 -1.26 0.07 120.64 114.88 1x3d n GLU 57 Ca 0.43 0.09 -0.32 0.00 -0.02 0.00 0.00 57.16 57.35 1x3d n GLU 57 Cb 0.96 -3.67 -0.09 0.00 -0.02 0.00 0.00 31.44 28.62 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 -0.85 -0.18 0.12 0.62 0.00 -1.26 -4.83 105.19 98.81 1x3d n GLY 58 Ca 0.08 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.18 0.57 0.00 1.61 5.02 0.11 -4.79 118.16 116.49 1x3d n LYS 59 Ca -0.19 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1x3d n LYS 59 Cb 0.59 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 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 1.33 0.65 0.04 0.72 0.00 -1.26 -5.05 105.19 101.62 1x3d n GLY 60 Ca -0.41 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 2.88 0.00 1.61 3.02 -1.26 -5.06 115.26 116.45 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 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 2.98 1.82 3.23 7.41 0.00 -1.26 -5.14 105.19 114.24 1x3d n GLY 62 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.20 1.85 -0.13 1.61 0.41 -1.26 -5.13 118.70 115.85 1x3d s GLU 63 Ca 0.00 -0.77 0.03 0.00 -0.41 0.00 0.00 54.97 53.81 1x3d s GLU 63 Cb 0.00 -1.74 0.01 0.00 -1.78 0.00 0.00 34.13 30.62 1x3d s GLU 63 CO 0.00 0.44 -0.22 -0.06 -0.49 0.00 0.00 175.26 174.93 1x3d s PHE 64 N -0.42 2.65 0.08 1.61 0.40 -1.26 -3.84 117.98 117.19 1x3d s PHE 64 Ca 0.06 -1.22 0.07 0.00 -0.60 0.00 0.00 56.93 55.24 1x3d s PHE 64 Cb -0.09 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.62 1x3d s PHE 64 CO -0.00 -0.53 -0.19 0.00 0.70 0.00 0.00 175.22 175.19 1x3d n GLN 66 N 1.41 1.49 -0.14 0.00 7.27 -1.26 -3.06 117.38 123.09 1x3d n GLN 66 Ca -0.19 0.51 -0.29 0.00 0.07 0.00 0.00 57.00 57.10 1x3d n GLN 66 Cb 0.54 -2.44 -0.10 0.00 2.41 0.00 0.00 30.24 30.65 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 -2.51 -0.05 -0.15 0.00 6.14 -1.16 -5.02 117.35 114.60 1x3d s TYR 68 Ca -0.38 0.21 -0.04 0.00 0.64 0.00 0.00 57.07 57.49 1x3d s TYR 68 Cb 0.15 -0.07 0.06 0.00 0.42 0.00 0.00 41.96 42.51 1x3d s TYR 68 CO 0.48 -0.07 0.11 1.41 0.64 0.00 0.00 175.55 178.12 1x3d s MET 69 N 0.55 0.06 0.01 4.97 1.75 -1.26 -0.21 119.30 125.16 1x3d s MET 69 Ca -0.04 0.08 -0.15 0.00 -1.25 0.00 0.00 55.69 54.32 1x3d s MET 69 Cb -0.06 -1.42 0.05 0.00 2.84 0.00 0.00 34.83 36.24 1x3d s MET 69 CO -0.02 -0.59 0.70 0.41 -0.65 0.00 0.00 175.02 174.88 1x3d n GLY 70 N 5.29 0.50 0.16 2.11 0.00 -1.05 -4.95 105.19 107.25 1x3d n GLY 70 Ca -0.06 -0.98 -0.17 0.00 0.00 0.00 0.00 46.02 44.81 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 1.14 0.60 -2.57 1.61 0.87 -1.89 -1.03 113.55 112.27 1x3d h SER 71 Ca -0.13 -0.71 -0.59 0.00 -1.23 0.00 0.00 61.79 59.12 1x3d h SER 71 Cb 0.68 -0.18 0.16 0.00 -0.44 0.00 0.00 62.40 62.62 1x3d h SER 71 CO 0.18 1.22 -0.47 0.00 -0.53 0.00 0.00 176.83 177.24 1x3d n GLN 72 N -4.19 0.50 -0.65 2.24 1.13 -1.26 -4.76 117.38 110.38 1x3d n GLN 72 Ca -0.09 0.19 0.01 0.00 -1.94 0.00 0.00 57.00 55.16 1x3d n GLN 72 Cb 0.66 -1.54 0.22 0.00 0.11 0.00 0.00 30.24 29.69 1x3d n GLN 72 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1x3d n LYS 73 N 0.43 2.25 -3.69 -1.09 5.02 -1.26 -4.84 118.16 114.98 1x3d n LYS 73 Ca 0.11 -3.02 -0.11 0.00 -2.02 0.00 0.00 58.31 53.27 1x3d n LYS 73 Cb 0.44 -1.83 -0.12 0.00 -0.02 0.00 0.00 35.03 33.50 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 -3.07 0.28 -0.02 1.97 0.74 -1.26 -2.33 119.66 115.97 1x3d s GLN 74 Ca 0.44 0.77 -0.01 0.00 0.05 0.00 0.00 55.36 56.60 1x3d s GLN 74 Cb 0.38 0.02 0.01 0.00 1.10 0.00 0.00 33.01 34.52 1x3d s GLN 74 CO 0.04 -0.20 0.05 0.12 -0.55 0.00 0.00 175.29 174.74 1x3d s PHE 75 N 1.81 -0.04 -0.31 1.67 5.36 -1.11 -5.04 117.98 120.32 1x3d s PHE 75 Ca -0.06 0.15 -0.04 0.00 -0.96 0.00 0.00 56.93 56.02 1x3d s PHE 75 Cb -0.10 -0.07 0.04 0.00 -0.34 0.00 0.00 43.02 42.55 1x3d s PHE 75 CO -0.11 -0.06 0.05 0.21 -1.46 0.00 0.00 175.22 173.85 1x3d s LYS 76 N 0.44 2.62 -0.26 10.12 2.20 -1.26 -2.16 119.74 131.43 1x3d s LYS 76 Ca -0.03 -1.16 -0.26 0.00 -0.36 0.00 0.00 55.97 54.15 1x3d s LYS 76 Cb -0.05 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1x3d s LYS 76 CO -0.01 -0.60 0.93 0.42 -0.36 0.00 0.00 175.35 175.72 1x3d s ILE 77 N 1.35 4.72 0.44 5.43 1.01 0.17 -4.85 121.20 129.47 1x3d s ILE 77 Ca -0.02 1.67 0.06 0.00 0.00 0.00 0.00 60.65 62.35 1x3d s ILE 77 Cb -0.19 -4.23 0.06 0.00 0.01 0.00 0.00 42.46 38.10 1x3d s ILE 77 CO 0.01 -0.21 0.46 0.35 0.00 0.00 0.00 174.94 175.55 1x3d n THR 78 N 5.44 0.00 -3.24 2.92 -2.24 -1.26 0.19 114.28 116.09 1x3d n THR 78 Ca 0.08 -1.63 -0.15 0.00 -2.27 0.00 0.00 64.05 60.08 1x3d n THR 78 Cb 0.47 -0.34 0.08 0.00 -2.10 0.00 0.00 70.33 68.43 1x3d n THR 78 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x3d n LYS 79 N -1.73 -5.76 -3.53 -0.78 4.76 -1.01 -4.87 118.16 105.23 1x3d n LYS 79 Ca 0.05 0.72 -0.20 0.00 -2.87 0.00 0.00 58.31 56.01 1x3d n LYS 79 Cb 0.48 -5.38 -0.03 0.00 -1.84 0.00 0.00 35.03 28.26 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 -3.73 0.00 -4.25 -0.35 4.77 -1.16 -4.99 117.00 107.28 1x3d n LEU 80 Ca -0.23 -2.04 -0.21 0.00 -0.03 0.00 0.00 56.01 53.50 1x3d n LEU 80 Cb 0.64 0.15 -0.12 0.00 -2.33 0.00 0.00 43.42 41.76 1x3d n LEU 80 CO 0.52 -0.35 -0.49 -0.44 -1.33 0.00 0.00 177.39 175.30 1x3d s SER 81 N -2.93 2.23 0.60 -1.43 0.01 -1.19 -4.15 113.70 106.83 1x3d s SER 81 Ca 0.07 -0.70 -0.17 0.00 1.31 0.00 0.00 55.95 56.45 1x3d s SER 81 Cb -0.01 -0.11 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 1x3d s SER 81 CO 0.04 -0.01 1.12 -2.16 0.41 0.00 0.00 173.24 172.64 1x3d s PRO 82 N -2.04 3.11 -1.37 12.44 0.04 0.47 -3.64 135.00 144.01 1x3d s PRO 82 Ca 0.05 1.51 -0.08 0.00 0.04 0.00 0.00 61.00 62.53 1x3d s PRO 82 Cb -0.09 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.50 1x3d s PRO 82 CO 0.04 -1.03 1.04 0.00 0.04 0.00 0.00 177.00 177.09 1x3d n ALA 83 N -1.80 -1.52 -2.99 8.56 0.00 -1.26 -4.84 120.51 116.67 1x3d n ALA 83 Ca 0.11 0.20 -0.32 0.00 0.00 0.00 0.00 53.44 53.43 1x3d n ALA 83 Cb 0.51 -4.27 -0.16 0.00 0.00 0.00 0.00 19.45 15.54 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 -6.19 2.88 -0.35 0.00 0.00 -1.24 -4.96 119.30 109.44 1x3d s MET 84 Ca 0.43 -0.86 -0.14 0.00 0.00 0.00 0.00 55.69 55.12 1x3d s MET 84 Cb -0.20 -2.29 -0.01 0.00 0.00 0.00 0.00 34.83 32.32 1x3d s MET 84 CO 0.77 0.28 0.32 0.20 0.00 0.00 0.00 175.02 176.59 1x3d s GLY 85 N 0.11 1.93 -0.04 2.11 0.00 -1.26 -2.51 107.32 107.66 1x3d s GLY 85 Ca -0.11 -1.31 0.04 0.00 0.00 0.00 0.00 44.72 43.34 1x3d s GLY 85 CO 0.06 0.92 -0.17 0.00 0.00 0.00 0.00 173.10 173.91 1x3d s LYS 87 N -0.01 3.35 0.10 0.00 1.02 -1.26 -1.99 119.74 120.95 1x3d s LYS 87 Ca -0.03 -0.58 -0.01 0.00 0.02 0.00 0.00 55.97 55.37 1x3d s LYS 87 Cb -0.11 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 1x3d s LYS 87 CO 0.02 0.55 0.04 -0.06 -0.92 0.00 0.00 175.35 174.98 1x3d s PHE 88 N -1.64 0.73 -0.12 3.18 0.40 -1.03 -2.94 117.98 116.56 1x3d s PHE 88 Ca 0.34 -1.16 -0.09 0.00 -0.60 0.00 0.00 56.93 55.42 1x3d s PHE 88 Cb -0.12 -0.43 0.04 0.00 0.51 0.00 0.00 43.02 43.02 1x3d s PHE 88 CO 0.27 -0.48 0.31 -0.98 0.70 0.00 0.00 175.22 175.04 1x3d s ARG 89 N -4.00 0.32 -0.05 0.44 1.70 -0.78 -2.88 118.95 113.70 1x3d s ARG 89 Ca 0.18 0.50 0.02 0.00 -0.47 0.00 0.00 55.73 55.96 1x3d s ARG 89 Cb 0.07 0.07 -0.03 0.00 -0.57 0.00 0.00 34.95 34.49 1x3d s ARG 89 CO -0.02 -0.09 -0.08 -1.17 -1.08 0.00 0.00 175.30 172.86 1x3d s LEU 90 N 0.62 3.13 -0.16 -1.89 2.96 -1.26 -2.68 118.68 119.39 1x3d s LEU 90 Ca -0.04 -0.06 -0.18 0.00 -0.22 0.00 0.00 54.13 53.63 1x3d s LEU 90 Cb -0.05 -1.70 0.05 0.00 0.50 0.00 0.00 46.19 44.99 1x3d s LEU 90 CO -0.04 0.35 0.49 -0.94 -1.32 0.00 0.00 176.35 174.89 1x3d s SER 91 N -0.92 -0.50 -0.13 3.68 1.04 -1.17 -0.26 113.70 115.44 1x3d s SER 91 Ca 0.13 0.90 -0.05 0.00 0.48 0.00 0.00 55.95 57.41 1x3d s SER 91 Cb -0.11 0.92 -0.04 0.00 0.10 0.00 0.00 66.02 66.90 1x3d s SER 91 CO 0.03 -0.22 0.07 0.00 0.98 0.00 0.00 173.24 174.09 1x3d s ALA 92 N 0.03 3.56 -0.01 5.32 0.00 -1.26 -1.58 121.76 127.82 1x3d s ALA 92 Ca -0.02 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.28 1x3d s ALA 92 Cb -0.03 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 1x3d s ALA 92 CO 0.02 0.49 -0.20 0.50 0.00 0.00 0.00 175.76 176.57 1x3d s ARG 93 N -0.61 1.55 0.41 0.00 3.52 -1.13 -0.72 118.95 121.97 1x3d s ARG 93 Ca 0.11 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 1x3d s ARG 93 Cb -0.12 -1.52 -0.00 0.00 -1.56 0.00 0.00 34.95 31.75 1x3d s ARG 93 CO 0.02 0.41 0.01 0.27 -0.81 0.00 0.00 175.30 175.21 1x3d n ASN 94 N 2.52 2.98 -0.13 -2.12 0.23 -0.11 -0.77 115.26 117.86 1x3d n ASN 94 Ca -0.15 -2.83 0.28 0.00 -0.53 0.00 0.00 54.58 51.34 1x3d n ASN 94 Cb 0.53 0.34 0.63 0.00 -2.08 0.00 0.00 39.78 39.21 1x3d n ASN 94 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1x3d h ASP 95 N 1.04 0.00 0.00 0.53 2.03 -1.91 -2.33 116.42 115.78 1x3d h ASP 95 Ca -0.34 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 1x3d h ASP 95 Cb 1.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.55 1x3d h ASP 95 CO 0.56 0.00 -0.00 1.88 -1.03 0.00 0.00 179.24 180.65 1x3d h TYR 96 N 0.00 0.00 -1.47 4.15 0.05 -1.94 -3.51 116.97 114.26 1x3d h TYR 96 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.19 1x3d h TYR 96 Cb 2.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.88 1x3d h TYR 96 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 1x3d n GLY 97 N 1.98 1.24 3.74 3.88 0.00 -0.88 -5.04 105.19 110.11 1x3d n GLY 97 Ca -0.00 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.51 5.19 0.47 2.61 2.01 -1.26 -0.93 115.64 121.22 1x3d s THR 98 Ca 0.00 0.84 -0.14 0.00 0.31 0.00 0.00 61.69 62.70 1x3d s THR 98 Cb 0.00 -3.76 -0.07 0.00 0.01 0.00 0.00 72.50 68.68 1x3d s THR 98 CO 0.00 0.38 0.90 -0.94 -0.69 0.00 0.00 174.62 174.27 1x3d s SER 99 N 0.32 6.57 0.29 3.53 1.04 0.10 -4.90 113.70 120.66 1x3d s SER 99 Ca 0.23 1.39 -0.17 0.00 0.48 0.00 0.00 55.95 57.89 1x3d s SER 99 Cb -0.15 -2.43 -0.12 0.00 0.10 0.00 0.00 66.02 63.42 1x3d s SER 99 CO 0.09 -0.52 0.09 0.61 0.98 0.00 0.00 173.24 174.50 1x3d n GLY 100 N -1.49 -2.02 3.75 7.32 0.00 -1.26 -4.43 105.19 107.06 1x3d n GLY 100 Ca 0.05 0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.24 3.86 0.98 1.61 0.08 -1.26 -4.52 117.98 117.50 1x3d s PHE 101 Ca 0.45 1.69 -0.14 0.00 0.12 0.00 0.00 56.93 59.06 1x3d s PHE 101 Cb -0.50 -2.89 0.21 0.00 -0.57 0.00 0.00 43.02 39.27 1x3d s PHE 101 CO 0.47 0.38 0.48 -1.13 -0.10 0.00 0.00 175.22 175.32 1x3d n SER 102 N 2.13 -3.13 -4.71 1.36 3.41 0.64 -4.87 113.62 108.45 1x3d n SER 102 Ca -0.02 -0.49 -0.42 0.00 -0.26 0.00 0.00 58.87 57.68 1x3d n SER 102 Cb 0.49 -0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 63.70 1x3d n SER 102 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x3d s GLU 103 N -3.69 4.44 0.26 4.33 0.41 -1.26 -4.74 118.70 118.45 1x3d s GLU 103 Ca 0.37 1.74 -0.31 0.00 -0.41 0.00 0.00 54.97 56.36 1x3d s GLU 103 Cb -0.07 -3.36 -0.13 0.00 -1.78 0.00 0.00 34.13 28.80 1x3d s GLU 103 CO 0.31 -0.25 1.51 0.39 -0.49 0.00 0.00 175.26 176.74 1x3d n GLU 104 N 3.97 2.38 -5.00 1.61 -0.58 -1.26 -4.78 120.64 116.98 1x3d n GLU 104 Ca 0.09 0.85 -0.30 0.00 -0.42 0.00 0.00 57.16 57.38 1x3d n GLU 104 Cb 0.47 -2.58 -0.17 0.00 -0.57 0.00 0.00 31.44 28.59 1x3d n GLU 104 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1x3d s VAL 105 N 0.04 1.75 -0.32 2.62 -7.23 -1.14 -4.99 120.40 111.13 1x3d s VAL 105 Ca 0.67 -0.84 -0.14 0.00 -1.81 0.00 0.00 61.98 59.86 1x3d s VAL 105 Cb -0.57 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.81 1x3d s VAL 105 CO 0.48 0.49 0.29 -0.22 -0.31 0.00 0.00 175.10 175.83 1x3d s LEU 106 N 0.46 4.34 0.23 1.32 2.96 -1.26 -2.47 118.68 124.25 1x3d s LEU 106 Ca -0.17 -0.19 0.10 0.00 -0.22 0.00 0.00 54.13 53.64 1x3d s LEU 106 Cb -0.17 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 1x3d s LEU 106 CO 0.07 -0.23 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.47 1x3d s TYR 107 N 1.88 2.58 -0.14 5.38 2.02 -0.84 -4.98 117.35 123.25 1x3d s TYR 107 Ca 0.09 -0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 56.53 1x3d s TYR 107 Cb -0.17 -1.20 0.04 0.00 -0.40 0.00 0.00 41.96 40.24 1x3d s TYR 107 CO 0.11 0.58 -0.02 0.71 -1.57 0.00 0.00 175.55 175.37 1x3d s TYR 108 N -2.05 1.20 0.93 2.71 1.51 -1.26 -1.49 117.35 118.91 1x3d s TYR 108 Ca 0.28 -0.71 -0.16 0.00 -1.01 0.00 0.00 57.07 55.47 1x3d s TYR 108 Cb -0.07 -1.08 -0.10 0.00 -0.11 0.00 0.00 41.96 40.59 1x3d s TYR 108 CO 0.16 -0.52 -0.41 0.25 -1.11 0.00 0.00 175.55 173.93 1x3d n THR 109 N 5.01 0.10 -0.31 -0.71 -2.24 -1.04 -4.72 114.28 110.36 1x3d n THR 109 Ca -0.10 -0.43 0.17 0.00 -2.27 0.00 0.00 64.05 61.43 1x3d n THR 109 Cb 0.49 -0.18 0.34 0.00 -2.10 0.00 0.00 70.33 68.87 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 2.13 -0.01 0.00 3.42 2.88 -1.21 -4.17 113.62 116.67 1x3d n SER 110 Ca 0.01 1.56 0.00 0.00 -1.33 0.00 0.00 58.87 59.11 1x3d n SER 110 Cb 0.54 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 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 2.11 3.34 0.46 0.00 -1.26 -4.12 105.19 104.31 1x3d n GLY 111 Ca 0.25 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 1.50 1.61 0.00 0.00 1.04 -1.26 -5.06 113.70 111.53 1x3d s SER 113 Ca 0.02 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1x3d s SER 113 Cb -0.17 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.57 1x3d s SER 113 CO 0.03 0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1x3d n GLY 114 N 3.11 0.31 3.56 7.32 0.00 -1.26 -4.97 105.19 113.27 1x3d n GLY 114 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 2.58 -0.47 1.61 0.04 -1.26 -4.93 135.00 132.58 1x3d s PRO 115 Ca 0.00 0.09 -0.28 0.00 0.04 0.00 0.00 61.00 60.85 1x3d s PRO 115 Cb 0.00 -4.78 -0.01 0.00 0.04 0.00 0.00 34.50 29.74 1x3d s PRO 115 CO 0.00 -3.11 1.76 -1.12 0.04 0.00 0.00 177.00 174.56 1x3d s SER 116 N 8.08 5.70 -1.37 6.66 0.01 -1.26 -3.74 113.70 127.78 1x3d s SER 116 Ca 0.69 0.80 -0.11 0.00 1.31 0.00 0.00 55.95 58.64 1x3d s SER 116 Cb -0.09 -2.53 0.11 0.00 0.21 0.00 0.00 66.02 63.72 1x3d s SER 116 CO 0.08 -1.95 0.29 -1.20 0.41 0.00 0.00 173.24 170.87 1x3d n SER 117 N 11.09 -0.59 -0.83 2.44 7.64 -1.26 -5.31 113.62 126.80 1x3d n SER 117 Ca 0.21 -0.98 0.10 0.00 1.01 0.00 0.00 58.87 59.21 1x3d n SER 117 Cb 0.49 -1.24 0.09 0.00 -1.01 0.00 0.00 64.21 62.54 1x3d n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64